@text
Human Alcohol Dehydrogenase

Kinemage 1
Alcohol dehydrogenase isoenzymes exist as dimers composed of 373-374 amino acid residues with two zinc ions (one is catalytic) per subunit.  This kinemage shows beta 1 human liver alcohol dehydrogenase complexed with NAD.  Both subunits are shown as different colors with their respective cofactors.  View 2 focuses on NAD and the zinc ion at the catalytic site. 

Kinemage 2
The cyclohexanol substrate (blue dot) is not in the best position for catalysis.  Its position incresaes the efficiency of hydrophobic interactions between itself and the apolar side chains present at the binding site.  View 2 shows the substrate can udergo van der Waals interactions with Leu 57, Phe 93, and Met 306 even though it is nearer in proximity to Leu 116.  Click off the substrate button and click on the pyrazole button to view binding of the inhibitor, 4-iodopyrazole, at the complex.

Kinemage 3
NAD modifies the Lewis acid nature of the zinc ion which influences substrate binding.  The adenine ring interacts with Thr 274 while the ribose forms H-bonds to Asp 223 and Lys 228.  The cofactor also forms H-bonds with Gly 202, Arg 47, Ile 269, and His 51.  Ile 269 interacts with Thr 274.

Kinemage 4
Cys 48, Cys 174, and His 67 acts as ligands to the catalytic zinc ion.  These ligands are referred to as soft ligands due to their ability to polarize.  This polarization allows them to reduce the Lewis acid nature of the zinc ion.  View 2 zooms in on these interactions.

Kinemage 5
A structural water (not shown) located behind the zinc ion accepts H-bonds from His 67 and donates H-bonds to Asp 49 at OD1.  His 67 interacts at ND1 with OD2 of Asp 49.  These interactions are important because the Lewis acid strength of the zinc ion is affected by the extent to which His 67 donates its electrons.  The extent to which His 67 donates its electrons is influenced by its interactions with Asp 49.

Kinemage 6
The pyrazole ring of 4-iodopyrazole (inhibitor) interacts through van der Waals contacts with Thr 48, Phe 93, and C3 of the nicotinamide ring.  The iodine at position C4 of the pyrazole ring (yellow dot) makes long van der Waals interactions with Thr 48 and Phe 93 as well as Leu 116 and Leu 141.  


Kinemage 7
The structure of human liver alcohol dehydrogenase has very close similarity to the well-studied horse liver alcohol dehydrogenase.  All but one zinc-ligand binding residues are conserved as well as amino acids directly involved in coenzyme binding (Thr 48->Ser 48).

Kinemage 8
This kinemage of the horse alcohol dehydrogenase shows that structure is highly conserved between the horse enzyme and the human enzyme.

References:
Biochemistry 33 (17):5230-5237 (May 1994)   [1HLD at PDB]
Eur J Biochem 145 (3):437-445 (Dec 1984)
J Mol Biol 239 (3):415-429 (Jun 1994)       [1DEH at PDB]
Proc Natl Acad Sci USA 88 (18):8149-8153 (Sep 1991)


 



@kinemage 1
@caption
Human alcohol dehydrogenase exists as a dimer complexed with NAD and Zn cofactors. 
@onewidth 
@zoom 1.67 
@zslab 200 
@center 3.001 5.762 -43.026 
@matrix 
0.368819 -0.905600 0.209437 -0.139517 -0.276704 -0.950773 0.918971 0.321443 -0.228399 
@2zoom 3.63 
@2zslab 200 
@2center -3.794 7.277 -28.592 
@2matrix 
0.269225 -0.844758 -0.462497 -0.246727 0.403704 -0.880993 0.930937 0.351295 -0.099737 
@group {subunit 1}      
@subgroup {mainchain}    
@vectorlist {ca-ca} color= bluetint      
{ ca  ser a 1 } P 16.318, 13.369, 2.512 
{ ca  ser a 1 } 16.318, 13.369, 2.512 
{ ca  thr a 2 } 14.857, 10.240, 0.912 
{ ca  ala a 3 } 17.725, 9.115, -1.312 
{ ca  gly a 4 } 18.596, 5.462, -0.925 
{ ca  lys a 5 } 15.340, 4.890, 0.925 
{ ca  val a 6 } 12.040, 3.397, -0.166 
{ ca  ile a 7 } 9.597, 6.291, -0.590 
{ ca  lys a 8 } 5.955, 5.888, 0.358 
{ ca  cys a 9 } 3.537, 8.083, -1.586 
{ ca  lys a 10 } 0.181, 8.271, -3.337 
{ ca  ala a 11 } -0.352, 7.000, -6.903 
{ ca  ala a 12 } -3.370, 6.255, -9.070 
{ ca  val a 13 } -3.626, 2.477, -9.560 
{ ca  leu a 14 } -5.718, 0.761, -12.245 
{ ca  trp a 15 } -6.470, -2.693, -10.801 
{ ca  glu a 16 } -8.927, -3.677, -13.497 
{ ca  val a 17 } -9.958, -2.476, -16.962 
{ ca  lys a 18 } -12.992, -0.188, -17.282 
{ ca  lys a 19 } -12.779, 0.784, -13.601 
{ ca  pro a 20 } -12.013, 4.143, -11.943 
{ ca  phe a 21 } -8.499, 4.898, -10.790 
{ ca  ser a 22 } -7.899, 4.133, -7.124 
{ ca  ile a 23 } -5.604, 6.584, -5.328 
{ ca  glu a 24 } -3.458, 4.439, -3.037 
{ ca  asp a 25 } -0.264, 4.530, -0.999 
{ ca  val a 26 } 2.534, 2.741, -2.746 
{ ca  glu a 27 } 6.177, 2.153, -2.028 
{ ca  val a 28 } 8.676, 3.359, -4.629 
{ ca  ala a 29 } 11.963, 1.487, -4.456 
{ ca  pro a 30 } 15.089, 3.603, -4.839 
{ ca  pro a 31 } 16.705, 3.759, -8.327 
{ ca  lys a 32 } 19.200, 1.165, -9.529 
{ ca  ala a 33 } 22.203, 1.858, -11.738 
{ ca  tyr a 34 } 21.247, 4.067, -14.690 
{ ca  glu a 35 } 17.797, 4.816, -13.209 
{ ca  val a 36 } 16.378, 8.127, -12.049 
{ ca  arg a 37 } 13.709, 8.584, -9.373 
{ ca  ile a 38 } 11.620, 11.627, -10.107 
{ ca  lys a 39 } 9.258, 13.771, -8.095 
{ ca  met a 40 } 6.279, 14.644, -10.286 
{ ca  val a 41 } 5.101, 18.251, -10.662 
{ ca  ala a 42 } 2.530, 18.092, -13.510 
{ ca  val a 43 } 1.053, 15.351, -15.727 
{ ca  gly a 44 } -1.115, 15.661, -18.817 
{ ca  ile a 45 } -3.952, 13.237, -19.552 
{ ca  cys a 46 } -3.481, 11.666, -23.048 
{ ca  val a 58 } P -3.478, -4.262, -23.761 
{ ca  thr a 59 } -0.844, -3.927, -21.074 
{ ca  pro a 60 } -0.374, -5.983, -17.879 
{ ca  leu a 61 } -2.481, -4.952, -14.861 
{ ca  pro a 62 } -2.651, -3.774, -12.107 
{ ca  val a 63 } -0.710, -0.765, -13.402 
{ ca  ile a 64 } 0.364, 2.816, -12.857 
{ ca  leu a 65 } -0.245, 4.739, -16.093 
{ ca  gly a 66 } 0.675, 8.294, -17.084 
{ ca  his a 67 } 3.389, 9.407, -19.504 
{ ca  glu a 68 } 3.051, 13.060, -20.503 
{ ca  ala a 69 } 4.784, 14.696, -17.556 
{ ca  ala a 70 } 7.315, 17.037, -16.041 
{ ca  gly a 71 } 9.010, 16.822, -12.657 
{ ca  ile a 72 } 12.228, 17.190, -10.671 
{ ca  val a 73 } 14.997, 14.621, -10.159 
{ ca  glu a 74 } 14.868, 13.393, -6.550 
{ ca  ser a 75 } 17.935, 11.133, -6.866 
{ ca  val a 76 } 19.986, 9.215, -9.452 
{ ca  gly a 77 } 21.290, 5.649, -9.396 
{ ca  glu a 78 } 24.892, 4.510, -9.883 
{ ca  gly a 79 } 26.279, 5.277, -13.331 
{ ca  val a 80 } 23.870, 8.104, -14.147 
{ ca  thr a 81 } 25.663, 11.036, -15.831 
{ ca  thr a 82 } 22.979, 12.937, -17.766 
{ ca  val a 83 } 21.055, 14.386, -14.821 
{ ca  lys a 84 } 21.525, 15.338, -11.186 
{ ca  pro a 85 } 19.114, 15.803, -8.260 
{ ca  gly a 86 } 17.228, 19.071, -8.593 
{ ca  asp a 87 } 17.126, 19.007, -12.411 
{ ca  lys a 88 } 13.877, 19.653, -14.253 
{ ca  val a 89 } 13.147, 16.725, -16.543 
{ ca  ile a 90 } 10.560, 15.164, -18.819 
{ ca  pro a 91 } 10.186, 11.371, -18.901 
{ ca  leu a 92 } 9.944, 9.922, -22.447 
{ ca  phe a 93 } 7.404, 7.234, -23.357 
{ ca  thr a 94 } 9.858, 6.007, -26.000 
{ ca  pro a 95 } 13.516, 5.879, -24.997 
{ ca  gln a 96 } 16.636, 6.800, -26.913 
{ ca  cys a 97 } 19.132, 4.132, -25.824 
{ ca  gly a 98 } 21.456, 5.425, -28.531 
{ ca  lys a 99 } 22.962, 2.019, -29.267 
{ ca  cys a 100 } 20.344, 0.136, -31.221 
{ ca  arg a 101 } 19.898, -0.038, -35.002 
{ ca  val a 102 } 17.008, 2.418, -34.717 
{ ca  cys a 103 } 18.840, 4.974, -32.577 
{ ca  lys a 104 } 21.816, 4.946, -34.951 
{ ca  asn a 105 } 19.503, 5.409, -37.946 
{ ca  pro a 106 } 19.086, 9.219, -38.171 
{ ca  glu a 107 } 15.572, 8.906, -39.631 
{ ca  ser a 108 } 13.885, 6.556, -37.139 
{ ca  asn a 109 } 13.057, 7.105, -33.458 
{ ca  tyr a 110 } 11.210, 3.965, -32.311 
{ ca  cys a 111 } 13.995, 2.752, -30.002 
{ ca  leu a 112 } 14.199, -1.018, -29.387 
{ ca  lys a 113 } 14.086, -0.581, -25.576 
{ ca  asn a 114 } 10.422, 0.501, -25.834 
{ ca  asp a 115 } 7.589, -1.271, -24.006 
{ ca  leu a 116 } 4.932, -0.671, -26.674 
{ ca  gly a 117 } 5.719, -3.542, -29.017 
{ ca  asn a 118 } 5.021, -6.250, -26.451 
{ ca  pro a 119 } 4.503, -4.608, -23.027 
{ ca  arg a 120 } 6.298, -6.350, -20.167 
{ ca  gly a 121 } 5.085, -3.612, -17.828 
{ ca  thr a 122 } 8.561, -3.198, -16.343 
{ ca  leu a 123 } 11.677, -1.054, -16.449 
{ ca  gln a 124 } 14.475, -1.969, -18.856 
{ ca  asp a 125 } 16.115, -4.514, -16.573 
{ ca  gly a 126 } 12.894, -6.514, -16.337 
{ ca  thr a 127 } 11.730, -5.554, -12.839 
{ ca  arg a 128 } 9.259, -3.162, -11.138 
{ ca  arg a 129 } 9.783, -0.513, -8.429 
{ ca  phe a 130 } 6.222, -0.176, -7.169 
{ ca  thr a 131 } 4.558, -2.237, -4.462 
{ ca  cys a 132 } 1.016, -1.808, -3.142 
{ ca  arg a 133 } -0.028, -3.964, -0.201 
{ ca  gly a 134 } 2.703, -6.492, -0.915 
{ ca  lys a 135 } 1.588, -6.811, -4.544 
{ ca  pro a 136 } 4.171, -5.561, -7.064 
{ ca  ile a 137 } 2.695, -3.011, -9.478 
{ ca  his a 138 } 3.423, -2.752, -13.214 
{ ca  his a 139 } 5.008, 0.199, -14.990 
{ ca  phe a 140 } 3.583, 1.791, -18.179 
{ ca  leu a 141 } 5.776, 2.679, -21.143 
{ ca  gly a 142 } 8.629, 2.689, -18.644 
{ ca  thr a 143 } 7.375, 6.021, -17.295 
{ ca  ser a 144 } 4.324, 5.543, -15.011 
{ ca  thr a 145 } 3.751, 9.195, -14.087 
{ ca  phe a 146 } 0.343, 9.040, -12.320 
{ ca  ser a 147 } 2.341, 8.810, -9.097 
{ ca  gln a 148 } 3.956, 11.337, -6.780 
{ ca  tyr a 149 } 7.313, 9.686, -7.397 
{ ca  thr a 150 } 8.372, 7.367, -10.204 
{ ca  val a 151 } 11.604, 5.711, -11.360 
{ ca  val a 152 } 12.643, 5.684, -15.044 
{ ca  asp a 153 } 15.655, 4.448, -16.971 
{ ca  glu a 154 } 18.279, 7.090, -17.665 
{ ca  asn a 155 } 17.816, 6.755, -21.434 
{ ca  ala a 156 } 14.113, 7.609, -20.999 
{ ca  val a 157 } 14.531, 10.935, -19.195 
{ ca  ala a 158 } 15.388, 14.296, -20.775 
{ ca  lys a 159 } 16.899, 17.225, -18.900 
{ ca  ile a 160 } 15.132, 20.480, -19.690 
{ ca  asp a 161 } 15.527, 24.202, -19.064 
{ ca  ala a 162 } 15.946, 24.963, -15.348 
{ ca  ala a 163 } 13.480, 27.842, -15.755 
{ ca  ser a 164 } 10.795, 25.874, -17.637 
{ ca  pro a 165 } 7.213, 26.207, -16.290 
{ ca  leu a 166 } 6.525, 22.511, -15.552 
{ ca  glu a 167 } 2.738, 22.882, -15.661 
{ ca  lys a 168 } 3.007, 23.906, -19.308 
{ ca  val a 169 } 5.942, 22.010, -20.789 
{ ca  gly a 179 } P 1.058, 16.357, -32.981 
{ ca  tyr a 180 } 3.560, 18.999, -34.120 
{ ca  gly a 181 } 6.226, 16.522, -35.203 
{ ca  ser a 182 } 3.806, 14.438, -37.192 
{ ca  ala a 183 } 3.352, 17.386, -39.564 
{ ca  val a 184 } 6.867, 18.867, -39.436 
{ ca  asn a 185 } 8.943, 15.644, -39.220 
{ ca  val a 186 } 6.947, 12.654, -40.409 
{ ca  ala a 187 } 4.680, 13.992, -43.176 
{ ca  lys a 188 } 7.103, 16.823, -43.924 
{ ca  val a 189 } 4.277, 19.237, -44.863 
{ ca  thr a 190 } 5.366, 21.445, -47.792 
{ ca  pro a 191 } 4.576, 25.172, -47.886 
{ ca  gly a 192 } 1.523, 26.036, -49.980 
{ ca  ser a 193 } 0.066, 22.545, -49.514 
{ ca  thr a 194 } -3.429, 21.461, -48.472 
{ ca  cys a 195 } -3.881, 19.559, -45.196 
{ ca  ala a 196 } -6.706, 17.597, -43.542 
{ ca  val a 197 } -6.465, 16.746, -39.803 
{ ca  phe a 198 } -8.969, 14.214, -38.398 
{ ca  gly a 199 } -9.349, 14.692, -34.631 
{ ca  gly a 204 } P -4.679, 16.773, -33.268 
{ ca  leu a 205 } -4.546, 20.510, -32.460 
{ ca  ser a 206 } -0.768, 20.232, -32.227 
{ ca  ala a 207 } -0.859, 18.651, -35.695 
{ ca  val a 208 } -2.778, 21.752, -36.850 
{ ca  met a 209 } -0.181, 24.080, -35.331 
{ ca  gly a 210 } 2.523, 22.056, -37.011 
{ ca  cys a 211 } 0.845, 22.317, -40.432 
{ ca  lys a 212 } 0.635, 26.090, -39.967 
{ ca  ala a 213 } 4.324, 26.296, -39.000 
{ ca  ala a 214 } 5.136, 24.275, -42.115 
{ ca  gly a 215 } 3.283, 26.830, -44.216 
{ ca  ala a 216 } 0.340, 24.836, -45.516 
{ ca  ala a 217 } -2.062, 27.120, -47.429 
{ ca  arg a 218 } -5.145, 25.245, -46.250 
{ ca  ile a 219 } -5.819, 23.213, -43.130 
{ ca  ile a 220 } -9.233, 21.573, -42.855 
{ ca  ala a 221 } -10.011, 20.367, -39.319 
{ ca  val a 222 } -12.409, 17.473, -38.991 
{ ca  asp a 223 } -14.179, 16.456, -35.777 
{ ca  ile a 224 } -17.689, 15.481, -34.744 
{ ca  asn a 225 } -17.445, 17.919, -31.816 
{ ca  lys a 226 } -18.107, 21.456, -33.076 
{ ca  asp a 227 } -16.965, 22.993, -29.788 
{ ca  lys a 228 } -13.387, 22.198, -30.899 
{ ca  phe a 229 } -13.708, 24.355, -34.052 
{ ca  ala a 230 } -13.168, 27.660, -32.224 
{ ca  lys a 231 } -9.749, 26.500, -31.044 
{ ca  ala a 232 } -8.677, 24.852, -34.329 
{ ca  lys a 233 } -9.433, 28.161, -36.066 
{ ca  glu a 234 } -7.465, 30.116, -33.481 
{ ca  leu a 235 } -4.595, 27.645, -33.977 
{ ca  gly a 236 } -4.375, 27.767, -37.766 
{ ca  ala a 237 } -7.223, 25.883, -39.389 
{ ca  thr a 238 } -8.539, 27.630, -42.487 
{ ca  glu a 239 } -11.828, 25.722, -42.185 
{ ca  cys a 240 } -13.541, 23.109, -40.033 
{ ca  ile a 241 } -16.150, 20.571, -41.002 
{ ca  asn a 242 } -18.340, 18.124, -39.132 
{ ca  pro a 243 } -18.904, 14.781, -40.952 
{ ca  gln a 244 } -22.357, 14.608, -39.373 
{ ca  asp a 245 } -23.590, 17.626, -41.354 
{ ca  tyr a 246 } -23.181, 15.744, -44.632 
{ ca  lys a 247 } -25.143, 13.245, -46.723 
{ ca  lys a 248 } -22.112, 11.749, -48.473 
{ ca  pro a 249 } -18.982, 10.157, -46.937 
{ ca  ile a 250 } -16.478, 12.602, -45.489 
{ ca  gln a 251 } -13.803, 11.450, -47.979 
{ ca  glu a 252 } -15.986, 12.449, -50.953 
{ ca  val a 253 } -16.610, 15.885, -49.438 
{ ca  leu a 254 } -12.937, 16.513, -48.843 
{ ca  lys a 255 } -12.010, 15.438, -52.358 
{ ca  glu a 256 } -14.627, 17.792, -53.854 
{ ca  met a 257 } -13.394, 20.788, -51.824 
{ ca  thr a 258 } -9.744, 20.262, -52.761 
{ ca  asp a 259 } -9.583, 19.434, -56.472 
{ ca  gly a 260 } -9.257, 15.693, -56.008 
{ ca  gly a 261 } -7.906, 15.425, -52.449 
{ ca  val a 262 } -5.502, 16.981, -49.931 
{ ca  asp a 263 } -1.726, 16.686, -50.119 
{ ca  phe a 264 } -1.356, 15.690, -46.406 
{ ca  ser a 265 } -3.920, 13.749, -44.363 
{ ca  phe a 266 } -3.620, 13.057, -40.604 
{ ca  glu a 267 } -5.626, 10.586, -38.561 
{ ca  val a 268 } -5.259, 11.621, -34.881 
{ ca  ile a 269 } -8.266, 9.817, -33.314 
{ ca  arg a 271 } P -10.488, 4.576, -35.292 
{ ca  leu a 272 } -10.473, 2.245, -38.285 
{ ca  asp a 273 } -13.183, 4.047, -40.221 
{ ca  thr a 274 } -11.386, 7.375, -39.921 
{ ca  met a 275 } -7.954, 5.952, -40.817 
{ ca  met a 276 } -9.603, 4.686, -44.036 
{ ca  ala a 277 } -11.397, 7.998, -44.733 
{ ca  ser a 278 } -8.029, 9.636, -44.019 
{ ca  leu a 279 } -6.229, 7.588, -46.656 
{ ca  leu a 280 } -9.074, 8.045, -49.163 
{ ca  cys a 281 } -9.147, 11.842, -48.811 
{ ca  cys a 282 } -5.544, 12.461, -49.813 
{ ca  his a 283 } -4.925, 12.859, -53.557 
{ ca  glu a 284 } -4.458, 9.467, -55.231 
{ ca  ala a 285 } -1.324, 10.550, -57.012 
{ ca  cys a 286 } 0.455, 12.886, -54.633 
{ ca  gly a 287 } -1.147, 12.526, -51.235 
{ ca  thr a 288 } 0.432, 11.364, -47.995 
{ ca  ser a 289 } -1.719, 9.918, -45.230 
{ ca  val a 290 } -0.152, 9.828, -41.765 
{ ca  ile a 291 } -1.478, 7.622, -38.973 
{ ca  val a 292 } -1.046, 9.064, -35.486 
{ ca  gly a 293 } -4.047, 7.556, -33.697 
{ ca  gln a 299 } P -8.553, -4.659, -35.393 
{ ca  asn a 300 } -7.696, -4.894, -39.114 
{ ca  leu a 301 } -8.212, -2.512, -42.044 
{ ca  ser a 302 } -9.189, -3.917, -45.435 
{ ca  ile a 303 } -7.633, -1.961, -48.283 
{ ca  asn a 304 } -7.420, -2.207, -52.063 
{ ca  pro a 305 } -3.689, -2.046, -52.865 
{ ca  met a 306 } -4.584, -0.034, -56.018 
{ ca  leu a 307 } -5.221, 2.858, -53.633 
{ ca  leu a 308 } -1.440, 3.016, -53.239 
{ ca  leu a 309 } -0.150, 2.181, -56.748 
{ ca  thr a 310 } -1.284, 5.529, -58.109 
{ ca  gly a 311 } 1.286, 7.352, -55.997 
{ ca  arg a 312 } -0.101, 7.560, -52.460 
{ ca  thr a 313 } 2.170, 7.338, -49.411 
{ ca  trp a 314 } 0.952, 5.685, -46.207 
{ ca  lys a 315 } 3.001, 5.762, -43.026 
{ ca  gly a 316 } 2.660, 6.181, -39.265 
{ ca  ala a 317 } 4.892, 7.320, -36.403 
{ ca  val a 318 } 5.341, 7.589, -32.644 
{ ca  tyr a 319 } 6.331, 10.777, -30.764 
{ ca  gly a 320 } 6.023, 12.601, -34.057 
{ ca  gly a 321 } 9.317, 11.212, -35.334 
{ ca  phe a 322 } 11.333, 12.951, -32.638 
{ ca  lys a 323 } 14.285, 11.065, -31.176 
{ ca  ser a 324 } 13.131, 11.481, -27.554 
{ ca  lys a 325 } 16.198, 12.469, -25.526 
{ ca  glu a 326 } 17.589, 14.839, -28.175 
{ ca  gly a 327 } 14.358, 16.346, -29.448 
{ ca  ile a 328 } 12.478, 17.130, -26.235 
{ ca  pro a 329 } 15.089, 19.556, -24.787 
{ ca  lys a 330 } 15.301, 21.461, -28.109 
{ ca  leu a 331 } 11.519, 21.751, -28.309 
{ ca  val a 332 } 11.433, 23.081, -24.717 
{ ca  ala a 333 } 13.957, 25.740, -25.758 
{ ca  asp a 334 } 11.704, 26.726, -28.696 
{ ca  phe a 335 } 8.825, 27.081, -26.244 
{ ca  met a 336 } 10.976, 29.274, -24.029 
{ ca  ala a 337 } 11.769, 31.463, -27.041 
{ ca  lys a 338 } 8.038, 32.034, -27.573 
{ ca  lys a 339 } 8.329, 30.121, -30.850 
{ ca  phe a 340 } 4.936, 28.575, -30.035 
{ ca  ser a 341 } 2.412, 28.659, -27.176 
{ ca  leu a 342 } 0.753, 25.797, -25.231 
{ ca  asp a 343 } -1.909, 27.826, -23.446 
{ ca  ala a 344 } -4.777, 27.060, -25.794 
{ ca  leu a 345 } -4.357, 23.313, -25.393 
{ ca  ile a 346 } -4.499, 23.356, -21.593 
{ ca  thr a 347 } -8.154, 23.757, -20.775 
{ ca  his a 348 } -8.324, 22.340, -17.231 
{ ca  val a 349 } -6.041, 22.136, -14.219 
{ ca  leu a 350 } -6.994, 19.815, -11.366 
{ ca  pro a 351 } -5.081, 18.475, -8.387 
{ ca  phe a 352 } -3.755, 14.921, -8.924 
{ ca  glu a 353 } -6.397, 13.490, -6.593 
{ ca  lys a 354 } -9.101, 14.476, -9.065 
{ ca  ile a 355 } -7.706, 12.222, -11.812 
{ ca  asn a 356 } -11.046, 10.439, -12.303 
{ ca  glu a 357 } -12.684, 13.815, -12.869 
{ ca  gly a 358 } -9.998, 14.450, -15.471 
{ ca  phe a 359 } -10.751, 11.296, -17.435 
{ ca  asp a 360 } -14.427, 12.185, -17.230 
{ ca  leu a 361 } -13.742, 15.565, -18.820 
{ ca  leu a 362 } -11.971, 13.750, -21.690 
{ ca  his a 363 } -14.884, 11.350, -22.143 
{ ca  ser a 364 } -17.451, 14.161, -22.203 
{ ca  gly a 365 } -15.449, 16.042, -24.824 
{ ca  lys a 366 } -15.369, 19.139, -22.620 
{ ca  ser a 367 } -11.607, 19.283, -22.388 
{ ca  ile a 368 } -8.688, 19.294, -24.763 
{ ca  arg a 369 } -5.802, 18.709, -22.352 
{ ca  thr a 370 } -6.357, 18.532, -18.585 
{ ca  val a 371 } -3.172, 18.933, -16.516 
{ ca  leu a 372 } -2.946, 17.400, -13.010 
{ ca  thr a 373 } -0.837, 19.099, -10.359 
{ ca  phe a 374 } 0.931, 17.479, -7.415 
@subgroup {cofactors}    
@vectorlist {zinc ion} color= magenta      
{Zn    zn 1 375 } P 17.762, 2.520, -29.116 
{Zn    zn 1 375 } 17.762, 2.520, -29.116 
{Zn    zn 1 375 } P U 16.762, 2.520, -29.116 
{Zn    zn 1 375 } U 18.762, 2.520, -29.116 
{Zn    zn 1 375 } P U 17.762, 1.520, -29.116 
{Zn    zn 1 375 } U 17.762, 3.520, -29.116 
{Zn    zn 1 375 } P U 17.762, 2.520, -30.116 
{Zn    zn 1 375 } U 17.762, 2.520, -28.116 
{Zn    zn 1 376 } P 0.498, 10.089, -25.216 
{Zn    zn 1 376 } 0.498, 10.089, -25.216 
{Zn    zn 1 376 } P U -0.502, 10.089, -25.216 
{Zn    zn 1 376 } U 1.498, 10.089, -25.216 
{Zn    zn 1 376 } P U 0.498, 9.089, -25.216 
{Zn    zn 1 376 } U 0.498, 11.089, -25.216 
{Zn    zn 1 376 } P U 0.498, 10.089, -26.216 
{Zn    zn 1 376 } U 0.498, 10.089, -24.216 
@vectorlist {NAD} color= pink      
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ap   nad 1 377 } -8.673, 13.173, -27.698 
{ao1  nad 1 377 } -9.634, 12.222, -27.205 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ao2  nad 1 377 } -8.628, 14.317, -26.790 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ao5* nad 1 377 } -9.273, 13.654, -29.135 
{ac5* nad 1 377 } -9.785, 12.760, -30.127 
{ac4* nad 1 377 } -10.627, 13.746, -30.930 
{ao4* nad 1 377 } -11.152, 13.043, -32.047 
{ac4* nad 1 377 } P -10.627, 13.746, -30.930 
{ac3* nad 1 377 } -11.806, 14.286, -30.075 
{ao3* nad 1 377 } -11.936, 15.699, -30.255 
{ac3* nad 1 377 } P -11.806, 14.286, -30.075 
{ac2* nad 1 377 } -13.025, 13.617, -30.687 
{ao2* nad 1 377 } -14.118, 14.557, -30.682 
{ao4* nad 1 377 } P -11.152, 13.043, -32.047 
{ac1* nad 1 377 } -12.529, 13.397, -32.125 
{an9  nad 1 377 } -13.248, 12.304, -32.731 
{ac8  nad 1 377 } -13.587, 11.079, -32.166 
{an7  nad 1 377 } -14.278, 10.268, -33.060 
{ac5  nad 1 377 } -14.343, 11.047, -34.190 
{ac6  nad 1 377 } -14.914, 10.719, -35.395 
{an6  nad 1 377 } -15.509, 9.524, -35.582 
{ac6  nad 1 377 } P -14.914, 10.719, -35.395 
{an1  nad 1 377 } -14.842, 11.658, -36.383 
{ac2  nad 1 377 } -14.226, 12.879, -36.176 
{an3  nad 1 377 } -13.648, 13.222, -34.965 
{an9  nad 1 377 } P -13.248, 12.304, -32.731 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ o3  nad 1 377 } -7.329, 12.415, -27.871 
{np   nad 1 377 } -5.780, 12.760, -28.026 
{no1  nad 1 377 } -5.118, 12.723, -26.675 
{np   nad 1 377 } P -5.780, 12.760, -28.026 
{no2  nad 1 377 } -5.509, 14.044, -28.705 
{np   nad 1 377 } P -5.780, 12.760, -28.026 
{no5* nad 1 377 } -5.125, 11.635, -28.873 
{nc5* nad 1 377 } -5.721, 11.264, -30.148 
{nc4* nad 1 377 } -5.125, 9.939, -30.619 
{no4* nad 1 377 } -3.729, 10.051, -30.693 
{nc4* nad 1 377 } P -5.125, 9.939, -30.619 
{nc3* nad 1 377 } -5.364, 8.821, -29.592 
{no3* nad 1 377 } -5.740, 7.627, -30.282 
{nc3* nad 1 377 } P -5.364, 8.821, -29.592 
{nc2* nad 1 377 } -3.948, 8.636, -29.013 
{no2* nad 1 377 } -3.794, 7.277, -28.592 
{no4* nad 1 377 } P -3.729, 10.051, -30.693 
{nc1* nad 1 377 } -3.034, 8.896, -30.222 
{nn1  nad 1 377 } -1.671, 9.275, -29.807 
{nc2  nad 1 377 } -0.685, 8.844, -30.498 
{nc3  nad 1 377 } 0.583, 9.086, -30.107 
{nc7  nad 1 377 } 1.650, 8.632, -30.856 
{no7  nad 1 377 } 2.821, 8.896, -30.491 
{nc7  nad 1 377 } P 1.650, 8.632, -30.856 
{nn7  nad 1 377 } 1.496, 8.137, -32.073 
{nc3  nad 1 377 } P 0.583, 9.086, -30.107 
{nc4  nad 1 377 } 0.848, 9.792, -28.958 
{nc5  nad 1 377 } -0.148, 10.260, -28.213 
{nn1  nad 1 377 } P -1.671, 9.275, -29.807 
{nc6  nad 1 377 } -1.432, 9.990, -28.668 
{ac2* nad 1 377 } P -13.025, 13.617, -30.687 
{ac1* nad 1 377 } -12.529, 13.397, -32.125 
{ac5  nad 1 377 } P -14.343, 11.047, -34.190 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{an3  nad 1 377 } P -13.648, 13.222, -34.965 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{nc2* nad 1 377 } P -3.948, 8.636, -29.013 
{nc1* nad 1 377 } -3.034, 8.896, -30.222 
{nc5  nad 1 377 } P -0.148, 10.260, -28.213 
{nc6  nad 1 377 } -1.432, 9.990, -28.668 
@group {subunit 2}      
@subgroup {mainchain} dominant    
@vectorlist {ca-ca} color= yellowtint      
{ ca  ser b 1 } P 2.079, 8.560, -99.633 
{ ca  ser b 1 } 2.079, 8.560, -99.633 
{ ca  thr b 2 } 0.419, 7.266, -96.439 
{ ca  ala b 3 } 0.108, 10.627, -94.677 
{ ca  gly b 4 } -3.463, 11.832, -94.280 
{ ca  lys b 5 } -4.493, 8.439, -95.606 
{ ca  val b 6 } -5.977, 5.627, -93.558 
{ ca  ile b 7 } -3.354, 2.863, -93.304 
{ ca  lys b 8 } -4.409, -0.777, -93.459 
{ ca  cys b 9 } -2.073, -3.092, -91.553 
{ ca  lys b 10 } -1.757, -6.145, -89.345 
{ ca  ala b 11 } -2.258, -5.975, -85.569 
{ ca  ala b 12 } -2.895, -8.480, -82.762 
{ ca  val b 13 } -6.508, -7.984, -81.695 
{ ca  leu b 14 } -7.905, -9.426, -78.485 
{ ca  trp b 15 } -11.636, -10.045, -78.885 
{ ca  glu b 16 } -12.154, -12.096, -75.716 
{ ca  val b 17 } -10.342, -12.783, -72.462 
{ ca  lys b 18 } -8.247, -15.951, -72.055 
{ ca  lys b 19 } -8.199, -16.282, -75.834 
{ ca  pro b 20 } -5.232, -15.987, -78.208 
{ ca  phe b 21 } -4.462, -12.831, -80.164 
{ ca  ser b 22 } -5.625, -12.606, -83.781 
{ ca  ile b 23 } -3.157, -11.143, -86.257 
{ ca  glu b 24 } -5.766, -9.299, -88.336 
{ ca  asp b 25 } -6.068, -6.493, -90.892 
{ ca  val b 26 } -7.120, -3.244, -89.238 
{ ca  glu b 27 } -7.523, 0.286, -90.565 
{ ca  val b 28 } -5.511, 2.878, -88.629 
{ ca  ala b 29 } -7.085, 6.313, -89.075 
{ ca  pro b 30 } -4.818, 9.361, -89.604 
{ ca  pro b 31 } -3.627, 11.471, -86.600 
{ ca  lys b 32 } -5.883, 14.334, -85.465 
{ ca  ala b 33 } -4.485, 17.603, -84.083 
{ ca  tyr b 34 } -1.865, 17.025, -81.366 
{ ca  glu b 35 } -1.578, 13.358, -82.285 
{ ca  val b 36 } 1.259, 11.294, -83.790 
{ ca  arg b 37 } 0.990, 8.174, -85.951 
{ ca  ile b 38 } 3.909, 5.876, -85.157 
{ ca  lys b 39 } 5.431, 3.042, -87.188 
{ ca  met b 40 } 6.356, 0.311, -84.681 
{ ca  val b 41 } 9.789, -1.344, -84.808 
{ ca  ala b 42 } 10.150, -3.279, -81.532 
{ ca  val b 43 } 7.650, -4.184, -78.798 
{ ca  gly b 44 } 8.536, -5.904, -75.528 
{ ca  ile b 45 } 6.001, -8.057, -73.687 
{ ca  cys b 46 } 5.062, -6.780, -70.170 
{ ca  arg b 47 } 3.034, -8.833, -67.655 
{ ca  thr b 48 } 0.480, -6.012, -67.579 
{ ca  asp b 49 } -0.526, -6.856, -71.197 
{ ca  asp b 50 } -1.094, -10.401, -69.973 
{ ca  his b 51 } -3.239, -9.096, -67.088 
{ ca  val b 52 } -5.923, -8.146, -69.610 
{ ca  val b 53 } -5.547, -11.517, -71.310 
{ ca  ser b 54 } -6.169, -13.224, -67.939 
{ ca  gly b 55 } -8.974, -10.932, -66.827 
{ ca  asn b 56 } -6.985, -9.534, -63.890 
{ ca  leu b 57 } -7.067, -6.027, -65.378 
{ ca  val b 58 } -10.389, -5.035, -66.888 
{ ca  thr b 59 } -10.546, -2.716, -69.907 
{ ca  pro b 60 } -13.100, -2.512, -72.737 
{ ca  leu b 61 } -12.709, -5.129, -75.474 
{ ca  pro b 62 } -12.006, -5.624, -78.423 
{ ca  val b 63 } -8.647, -4.028, -77.755 
{ ca  ile b 64 } -5.160, -3.792, -79.159 
{ ca  leu b 65 } -2.723, -4.113, -76.275 
{ ca  gly b 66 } 0.934, -3.185, -75.954 
{ ca  his b 67 } 2.528, -0.143, -74.326 
{ ca  glu b 68 } 6.223, -1.091, -74.043 
{ ca  ala b 69 } 7.803, -0.228, -77.405 
{ ca  ala b 70 } 9.814, 2.007, -79.755 
{ ca  gly b 71 } 9.097, 3.263, -83.271 
{ ca  ile b 72 } 9.393, 5.987, -85.907 
{ ca  val b 73 } 7.090, 8.950, -86.543 
{ ca  glu b 74 } 5.151, 8.149, -89.709 
{ ca  ser b 75 } 3.155, 11.422, -89.541 
{ ca  val b 76 } 1.967, 14.066, -87.104 
{ ca  gly b 77 } -1.279, 15.976, -86.770 
{ ca  glu b 78 } -1.870, 19.718, -86.673 
{ ca  gly b 79 } -0.330, 21.588, -83.753 
{ ca  val b 80 } 2.411, 19.035, -83.112 
{ ca  thr b 81 } 5.593, 20.777, -81.940 
{ ca  thr b 82 } 7.649, 18.060, -80.200 
{ ca  val b 83 } 8.081, 15.420, -82.889 
{ ca  lys b 84 } 8.344, 15.444, -86.677 
{ ca  pro b 85 } 8.130, 12.545, -89.148 
{ ca  gly b 86 } 11.192, 10.277, -89.142 
{ ca  asp b 87 } 11.873, 11.046, -85.465 
{ ca  lys b 88 } 12.592, 8.054, -83.244 
{ ca  val b 89 } 9.966, 7.748, -80.524 
{ ca  ile b 90 } 8.808, 5.862, -77.445 
{ ca  pro b 91 } 5.073, 5.912, -76.625 
{ ca  leu b 92 } 4.421, 6.488, -72.888 
{ ca  phe b 93 } 1.722, 4.413, -71.129 
{ ca  thr b 94 } 1.377, 7.379, -68.773 
{ ca  pro b 95 } 1.146, 10.901, -70.279 
{ ca  gln b 96 } 2.638, 14.182, -69.062 
{ ca  cys b 97 } 0.077, 16.704, -70.211 
{ ca  gly b 98 } 2.071, 19.300, -68.236 
{ ca  lys b 99 } -1.081, 21.185, -67.252 
{ ca  cys b 100 } -2.854, 19.193, -64.572 
{ ca  arg b 101 } -2.309, 19.413, -60.814 
{ ca  val b 102 } -0.163, 16.249, -60.944 
{ ca  cys b 103 } 2.112, 17.278, -63.837 
{ ca  lys b 104 } 2.721, 20.585, -62.052 
{ ca  asn b 105 } 3.726, 18.764, -58.844 
{ ca  pro b 106 } 7.512, 18.086, -58.757 
{ ca  glu b 107 } 7.153, 14.588, -57.322 
{ ca  ser b 108 } 4.043, 13.078, -58.908 
{ ca  asn b 109 } 3.830, 11.526, -62.389 
{ ca  tyr b 110 } 0.398, 9.926, -62.587 
{ ca  cys b 111 } -1.044, 12.549, -64.991 
{ ca  leu b 112 } -4.825, 13.012, -64.966 
{ ca  lys b 113 } -4.857, 12.186, -68.685 
{ ca  asn b 114 } -4.104, 8.504, -68.053 
{ ca  asp b 115 } -6.456, 5.689, -69.069 
{ ca  leu b 116 } -5.592, 3.462, -66.072 
{ ca  gly b 117 } -7.930, 4.774, -63.386 
{ ca  asn b 118 } -11.088, 4.548, -65.407 
{ ca  pro b 119 } -10.308, 2.880, -68.774 
{ ca  arg b 120 } -12.188, 4.201, -71.813 
{ ca  gly b 121 } -10.006, 2.469, -74.414 
{ ca  thr b 122 } -9.830, 5.690, -76.385 
{ ca  leu b 123 } -7.406, 8.493, -77.025 
{ ca  gln b 124 } -7.572, 11.590, -74.846 
{ ca  asp b 125 } -10.321, 13.028, -77.042 
{ ca  gly b 126 } -12.636, 10.140, -76.280 
{ ca  thr b 127 } -12.486, 8.543, -79.727 
{ ca  arg b 128 } -10.801, 5.555, -81.364 
{ ca  arg b 129 } -8.551, 5.379, -84.421 
{ ca  phe b 130 } -8.764, 1.636, -85.018 
{ ca  thr b 131 } -11.345, -0.308, -86.968 
{ ca  cys b 132 } -11.458, -3.961, -87.972 
{ ca  arg b 133 } -14.206, -5.591, -90.017 
{ ca  gly b 134 } -16.543, -2.620, -89.762 
{ ca  lys b 135 } -16.000, -2.665, -86.000 
{ ca  pro b 136 } -14.304, 0.022, -83.898 
{ ca  ile b 137 } -11.444, -1.435, -81.794 
{ ca  his b 138 } -10.279, -0.038, -78.421 
{ ca  his b 139 } -6.876, 1.373, -77.606 
{ ca  phe b 140 } -4.953, 0.329, -74.486 
{ ca  leu b 141 } -3.325, 2.803, -72.109 
{ ca  gly b 142 } -3.487, 5.168, -75.061 
{ ca  thr b 143 } -0.600, 3.320, -76.730 
{ ca  ser b 144 } -1.779, 0.014, -78.337 
{ ca  thr b 145 } 1.692, -0.892, -79.547 
{ ca  phe b 146 } 0.822, -4.461, -80.719 
{ ca  ser b 147 } 0.123, -3.044, -84.166 
{ ca  gln b 148 } 2.309, -2.230, -87.155 
{ ca  tyr b 149 } 1.092, 1.359, -86.803 
{ ca  thr b 150 } -0.625, 3.249, -84.005 
{ ca  val b 151 } -1.818, 6.790, -83.243 
{ ca  val b 152 } -0.871, 8.355, -79.869 
{ ca  asp b 153 } -1.396, 11.741, -78.198 
{ ca  glu b 154 } 1.556, 14.112, -78.378 
{ ca  asn b 155 } 1.861, 14.391, -74.575 
{ ca  ala b 156 } 2.146, 10.563, -74.525 
{ ca  val b 157 } 5.093, 10.244, -76.964 
{ ca  ala b 158 } 8.760, 11.054, -76.326 
{ ca  lys b 159 } 11.500, 11.739, -78.868 
{ ca  ile b 160 } 14.746, 9.854, -78.243 
{ ca  asp b 161 } 18.341, 9.842, -79.526 
{ ca  ala b 162 } 18.447, 9.402, -83.308 
{ ca  ala b 163 } 21.034, 6.621, -83.036 
{ ca  ser b 164 } 18.991, 4.616, -80.488 
{ ca  pro b 165 } 18.767, 0.845, -81.156 
{ ca  leu b 166 } 14.954, 0.554, -81.049 
{ ca  glu b 167 } 15.249, -3.200, -80.387 
{ ca  lys b 168 } 16.828, -2.793, -76.957 
{ ca  val b 169 } 15.694, 0.717, -75.998 
{ ca  cys b 170 } 12.032, -0.361, -76.217 
{ ca  leu b 171 } 12.369, -1.723, -72.645 
{ ca  ile b 172 } 12.883, 1.824, -71.362 
{ ca  gly b 173 } 9.264, 2.227, -72.470 
{ ca  cys b 174 } 8.081, 0.323, -69.388 
{ ca  gly b 175 } 9.985, -2.537, -67.734 
{ ca  phe b 176 } 13.360, -0.896, -67.136 
{ ca  ser b 177 } 11.959, 2.528, -66.251 
{ ca  thr b 178 } 9.458, 1.074, -63.803 
{ ca  gly b 179 } 11.867, -1.193, -61.929 
{ ca  tyr b 180 } 14.885, 1.116, -61.964 
{ ca  gly b 181 } 12.894, 4.237, -61.092 
{ ca  ser b 182 } 11.048, 2.400, -58.306 
{ ca  ala b 183 } 14.396, 1.909, -56.573 
{ ca  val b 184 } 15.888, 5.338, -57.289 
{ ca  asn b 185 } 12.893, 7.698, -57.380 
{ ca  val b 186 } 10.188, 6.038, -55.310 
{ ca  ala b 187 } 11.911, 4.145, -52.509 
{ ca  lys b 188 } 14.977, 6.367, -52.747 
{ ca  val b 189 } 17.371, 3.622, -51.661 
{ ca  thr b 190 } 20.143, 5.086, -49.533 
{ ca  pro b 191 } 23.799, 4.174, -49.968 
{ ca  gly b 192 } 24.700, 1.326, -47.606 
{ ca  ser b 193 } 21.071, 0.226, -47.147 
{ ca  thr b 194 } 19.625, -3.308, -47.280 
{ ca  cys b 195 } 16.952, -4.104, -49.905 
{ ca  ala b 196 } 14.706, -7.054, -50.767 
{ ca  val b 197 } 13.074, -7.611, -54.173 
{ ca  phe b 198 } 10.149, -10.041, -54.661 
{ ca  gly b 199 } 9.790, -11.093, -58.279 
{ ca  leu b 200 } 12.634, -11.346, -60.734 
{ ca  gly b 201 } 11.088, -10.713, -64.160 
{ ca  gly b 202 } 11.899, -7.763, -66.432 
{ ca  val b 203 } 10.615, -5.163, -63.985 
{ ca  gly b 204 } 11.945, -6.966, -60.889 
{ ca  leu b 205 } 15.502, -7.255, -62.250 
{ ca  ser b 206 } 15.636, -3.564, -63.156 
{ ca  ala b 207 } 14.754, -2.923, -59.489 
{ ca  val b 208 } 17.866, -4.955, -58.617 
{ ca  met b 209 } 19.860, -2.737, -61.019 
{ ca  gly b 210 } 18.356, 0.372, -59.431 
{ ca  cys b 211 } 19.153, -0.620, -55.835 
{ ca  lys b 212 } 22.710, -1.382, -56.981 
{ ca  ala b 213 } 23.127, 2.000, -58.646 
{ ca  ala b 214 } 21.768, 3.712, -55.494 
{ ca  gly b 215 } 24.537, 2.043, -53.511 
{ ca  ala b 216 } 22.558, -0.596, -51.609 
{ ca  ala b 217 } 24.982, -2.688, -49.570 
{ ca  arg b 218 } 22.826, -5.820, -49.667 
{ ca  ile b 219 } 20.204, -6.909, -52.188 
{ ca  ile b 220 } 18.153, -9.989, -51.402 
{ ca  ala b 221 } 16.477, -11.418, -54.527 
{ ca  val b 222 } 13.288, -13.442, -54.005 
{ ca  asp b 223 } 11.662, -15.762, -56.576 
{ ca  ile b 224 } 10.141, -19.248, -56.687 
{ ca  asn b 225 } 11.737, -19.733, -60.138 
{ ca  lys b 226 } 15.393, -20.625, -59.476 
{ ca  asp b 227 } 16.336, -19.990, -63.107 
{ ca  lys b 228 } 16.221, -16.229, -62.482 
{ ca  phe b 229 } 19.022, -16.322, -59.862 
{ ca  ala b 230 } 21.748, -16.411, -62.510 
{ ca  lys b 231 } 20.682, -13.025, -63.869 
{ ca  ala b 232 } 19.713, -11.548, -60.488 
{ ca  lys b 233 } 23.255, -12.020, -59.156 
{ ca  glu b 234 } 24.759, -10.795, -62.454 
{ ca  leu b 235 } 22.749, -7.568, -62.229 
{ ca  gly b 236 } 23.692, -7.005, -58.595 
{ ca  ala b 237 } 21.743, -9.233, -56.224 
{ ca  thr b 238 } 23.901, -10.172, -53.257 
{ ca  glu b 239 } 21.876, -13.308, -52.522 
{ ca  cys b 240 } 18.869, -15.230, -53.758 
{ ca  ile b 241 } 16.079, -16.836, -51.760 
{ ca  asn b 242 } 13.370, -19.245, -52.902 
{ ca  pro b 243 } 10.364, -19.264, -50.551 
{ ca  gln b 244 } 9.821, -22.937, -51.410 
{ ca  asp b 245 } 12.984, -24.207, -49.684 
{ ca  tyr b 246 } 11.731, -23.032, -46.298 
{ ca  lys b 247 } 9.378, -24.446, -43.683 
{ ca  lys b 248 } 9.069, -20.889, -42.357 
{ ca  pro b 249 } 7.195, -17.890, -43.896 
{ ca  ile b 250 } 9.441, -15.760, -46.081 
{ ca  gln b 251 } 9.068, -12.490, -44.170 
{ ca  glu b 252 } 10.272, -14.291, -41.035 
{ ca  val b 253 } 13.139, -15.890, -42.929 
{ ca  leu b 254 } 14.017, -12.390, -44.135 
{ ca  lys b 255 } 13.824, -10.609, -40.773 
{ ca  glu b 256 } 16.141, -13.143, -39.130 
{ ca  met b 257 } 18.584, -12.646, -42.013 
{ ca  thr b 258 } 18.734, -8.869, -41.706 
{ ca  asp b 259 } 18.558, -8.203, -37.951 
{ ca  gly b 260 } 14.887, -7.278, -37.770 
{ ca  gly b 261 } 14.168, -6.612, -41.442 
{ ca  val b 262 } 15.227, -4.819, -44.625 
{ ca  asp b 263 } 15.263, -1.014, -45.065 
{ ca  phe b 264 } 13.571, -1.187, -48.484 
{ ca  ser b 265 } 11.474, -3.975, -49.941 
{ ca  phe b 266 } 9.758, -4.010, -53.353 
{ ca  glu b 267 } 6.936, -6.252, -54.454 
{ ca  val b 268 } 7.335, -6.673, -58.251 
{ ca  ile b 269 } 4.852, -9.500, -58.909 
{ ca  gly b 270 } 1.240, -8.499, -58.297 
{ ca  arg b 271 } -0.110, -10.898, -55.645 
{ ca  leu b 272 } -1.670, -9.923, -52.303 
{ ca  asp b 273 } 0.211, -12.594, -50.339 
{ ca  thr b 274 } 3.516, -11.236, -51.676 
{ ca  met b 275 } 2.574, -7.595, -51.062 
{ ca  met b 276 } 1.824, -8.623, -47.444 
{ ca  ala b 277 } 5.202, -10.388, -47.257 
{ ca  ser b 278 } 7.024, -7.267, -48.537 
{ ca  leu b 279 } 5.381, -4.935, -46.035 
{ ca  leu b 280 } 6.139, -7.412, -43.195 
{ ca  cys b 281 } 9.820, -8.009, -44.011 
{ ca  cys b 282 } 10.860, -4.375, -43.878 
{ ca  his b 283 } 11.971, -3.216, -40.413 
{ ca  glu b 284 } 8.985, -2.007, -38.342 
{ ca  ala b 285 } 10.724, 1.266, -37.388 
{ ca  cys b 286 } 12.587, 2.388, -40.502 
{ ca  gly b 287 } 11.548, 0.181, -43.411 
{ ca  thr b 288 } 9.819, 1.366, -46.602 
{ ca  ser b 289 } 7.809, -1.063, -48.718 
{ ca  val b 290 } 7.229, -0.137, -52.395 
{ ca  ile b 291 } 4.422, -1.859, -54.277 
{ ca  val b 292 } 5.265, -2.132, -58.003 
{ ca  gly b 293 } 3.191, -5.150, -59.022 
{ ca  val b 294 } -0.295, -4.599, -60.361 
{ ca  pro b 295 } -2.891, -6.316, -58.106 
{ ca  pro b 296 } -5.726, -8.468, -59.529 
{ ca  ala b 297 } -9.044, -6.629, -59.857 
{ ca  ser b 298 } -11.179, -6.172, -56.728 
{ ca  gln b 299 } -9.046, -7.906, -54.094 
{ ca  asn b 300 } -8.199, -6.466, -50.672 
{ ca  leu b 301 } -5.566, -6.846, -47.981 
{ ca  ser b 302 } -6.367, -6.985, -44.276 
{ ca  ile b 303 } -3.654, -5.098, -42.442 
{ ca  asn b 304 } -3.246, -4.128, -38.808 
{ ca  pro b 305 } -2.518, -0.341, -38.679 
{ ca  met b 306 } 0.023, -1.019, -35.926 
{ ca  leu b 307 } 2.375, -2.155, -38.700 
{ ca  leu b 308 } 2.677, 1.478, -39.841 
{ ca  leu b 309 } 2.406, 3.215, -36.468 
{ ca  thr b 310 } 5.916, 2.115, -35.476 
{ ca  gly b 311 } 7.493, 3.961, -38.383 
{ ca  arg b 312 } 6.940, 1.959, -41.597 
{ ca  thr b 313 } 6.380, 3.696, -44.925 
{ ca  trp b 314 } 4.146, 1.929, -47.453 
{ ca  lys b 315 } 3.976, 3.428, -50.935 
{ ca  gly b 316 } 3.491, 2.529, -54.565 
{ ca  ala b 317 } 3.981, 4.121, -57.969 
{ ca  val b 318 } 3.395, 3.683, -61.678 
{ ca  tyr b 319 } 6.296, 4.060, -64.152 
{ ca  gly b 320 } 8.951, 4.087, -61.431 
{ ca  gly b 321 } 8.193, 7.693, -60.527 
{ ca  phe b 322 } 9.461, 9.156, -63.817 
{ ca  lys b 323 } 7.498, 12.056, -65.313 
{ ca  ser b 324 } 7.101, 10.321, -68.701 
{ ca  lys b 325 } 7.879, 12.824, -71.447 
{ ca  glu b 326 } 11.036, 14.047, -69.663 
{ ca  gly b 327 } 12.342, 10.933, -67.927 
{ ca  ile b 328 } 12.300, 8.372, -70.756 
{ ca  pro b 329 } 14.475, 10.531, -73.060 
{ ca  lys b 330 } 17.120, 11.242, -70.397 
{ ca  leu b 331 } 17.134, 7.526, -69.653 
{ ca  val b 332 } 17.978, 6.625, -73.259 
{ ca  ala b 333 } 20.787, 9.199, -73.153 
{ ca  asp b 334 } 22.229, 7.473, -70.081 
{ ca  phe b 335 } 21.982, 4.181, -71.976 
{ ca  met b 336 } 23.835, 5.837, -74.873 
{ ca  ala b 337 } 26.419, 7.115, -72.390 
{ ca  lys b 338 } 26.825, 3.425, -71.490 
{ ca  lys b 339 } 25.502, 4.061, -67.962 
{ ca  phe b 340 } 23.699, 0.716, -67.978 
{ ca  ser b 341 } 22.751, -2.159, -70.268 
{ ca  leu b 342 } 19.470, -3.813, -71.268 
{ ca  asp b 343 } 21.019, -6.974, -72.688 
{ ca  ala b 344 } 20.504, -9.351, -69.756 
{ ca  leu b 345 } 16.791, -8.484, -69.779 
{ ca  ile b 346 } 16.069, -9.520, -73.375 
{ ca  thr b 347 } 16.035, -13.311, -73.553 
{ ca  his b 348 } 13.853, -13.965, -76.618 
{ ca  val b 349 } 13.248, -12.013, -79.822 
{ ca  leu b 350 } 10.282, -13.113, -81.923 
{ ca  pro b 351 } 8.671, -11.811, -85.116 
{ ca  phe b 352 } 5.463, -9.844, -84.376 
{ ca  glu b 353 } 3.292, -12.536, -85.975 
{ ca  lys b 354 } 4.347, -15.019, -83.284 
{ ca  ile b 355 } 3.092, -12.859, -80.399 
{ ca  asn b 356 } 0.994, -15.735, -79.000 
{ ca  glu b 357 } 4.220, -17.736, -78.653 
{ ca  gly b 358 } 5.753, -14.814, -76.756 
{ ca  phe b 359 } 2.977, -14.919, -74.167 
{ ca  asp b 360 } 3.503, -18.688, -73.806 
{ ca  leu b 361 } 7.151, -18.145, -72.884 
{ ca  leu b 362 } 6.072, -15.577, -70.263 
{ ca  his b 363 } 3.742, -18.149, -68.733 
{ ca  ser b 364 } 6.321, -20.932, -68.767 
{ ca  gly b 365 } 8.896, -18.742, -67.042 
{ ca  lys b 366 } 11.577, -19.230, -69.699 
{ ca  ser b 367 } 11.880, -15.583, -70.642 
{ ca  ile b 368 } 12.662, -12.440, -68.696 
{ ca  arg b 369 } 11.666, -10.127, -71.577 
{ ca  thr b 370 } 10.742, -11.128, -75.126 
{ ca  val b 371 } 10.977, -8.463, -77.836 
{ ca  leu b 372 } 8.535, -8.832, -80.733 
{ ca  thr b 373 } 10.017, -7.246, -83.830 
{ ca  phe b 374 } 8.404, -5.703, -86.902 
@subgroup {cofactors}    
@vectorlist {zinc ion} color= magenta      
{Zn    zn 2 375 } P -0.950, 15.947, -66.564 
{Zn    zn 2 375 } -0.950, 15.947, -66.564 
{Zn    zn 2 375 } P U -1.950, 15.947, -66.564 
{Zn    zn 2 375 } U 0.050, 15.947, -66.564 
{Zn    zn 2 375 } P U -0.950, 14.947, -66.564 
{Zn    zn 2 375 } U -0.950, 16.947, -66.564 
{Zn    zn 2 375 } P U -0.950, 15.947, -67.564 
{Zn    zn 2 375 } U -0.950, 15.947, -65.564 
{Zn    zn 2 376 } P 4.355, -2.283, -68.429 
{Zn    zn 2 376 } 4.355, -2.283, -68.429 
{Zn    zn 2 376 } P U 3.355, -2.283, -68.429 
{Zn    zn 2 376 } U 5.355, -2.283, -68.429 
{Zn    zn 2 376 } P U 4.355, -3.283, -68.429 
{Zn    zn 2 376 } U 4.355, -1.283, -68.429 
{Zn    zn 2 376 } P U 4.355, -2.283, -69.429 
{Zn    zn 2 376 } U 4.355, -2.283, -67.429 
@vectorlist {NAD} color= pink      
{ap   nad 2 377 } P 6.850, -11.246, -64.878 
{ap   nad 2 377 } 6.850, -11.246, -64.878 
{ao1  nad 2 377 } 5.641, -12.069, -64.961 
{ap   nad 2 377 } P 6.850, -11.246, -64.878 
{ao2  nad 2 377 } 7.653, -11.651, -66.038 
{ap   nad 2 377 } P 6.850, -11.246, -64.878 
{ao5* nad 2 377 } 7.658, -11.678, -63.524 
{ac5* nad 2 377 } 6.913, -11.951, -62.272 
{ac4* nad 2 377 } 7.987, -12.670, -61.459 
{ao4* nad 2 377 } 7.477, -12.979, -60.162 
{ac4* nad 2 377 } P 7.987, -12.670, -61.459 
{ac3* nad 2 377 } 8.407, -13.982, -62.165 
{ao3* nad 2 377 } 9.827, -14.161, -62.065 
{ac3* nad 2 377 } P 8.407, -13.982, -62.165 
{ac2* nad 2 377 } 7.707, -15.073, -61.367 
{ao2* nad 2 377 } 8.543, -16.247, -61.346 
{ao4* nad 2 377 } P 7.477, -12.979, -60.162 
{ac1* nad 2 377 } 7.739, -14.378, -59.990 
{an9  nad 2 377 } 6.726, -14.940, -59.143 
{ac8  nad 2 377 } 5.438, -15.346, -59.438 
{an7  nad 2 377 } 4.707, -15.722, -58.295 
{ac5  nad 2 377 } 5.630, -15.524, -57.287 
{ac6  nad 2 377 } 5.479, -15.770, -55.940 
{an6  nad 2 377 } 4.267, -16.110, -55.440 
{ac6  nad 2 377 } P 5.479, -15.770, -55.940 
{an1  nad 2 377 } 6.580, -15.552, -55.121 
{ac2  nad 2 377 } 7.791, -15.086, -55.629 
{an3  nad 2 377 } 7.942, -14.831, -57.001 
{an9  nad 2 377 } P 6.726, -14.940, -59.143 
{ac4  nad 2 377 } 6.811, -15.066, -57.776 
{ap   nad 2 377 } P 6.850, -11.246, -64.878 
{ o3  nad 2 377 } 6.508, -9.735, -64.814 
{np   nad 2 377 } 7.075, -8.268, -65.095 
{no1  nad 2 377 } 6.702, -7.893, -66.495 
{np   nad 2 377 } P 7.075, -8.268, -65.095 
{no2  nad 2 377 } 8.490, -7.913, -64.813 
{np   nad 2 377 } P 7.075, -8.268, -65.095 
{no5* nad 2 377 } 6.086, -7.319, -64.198 
{nc5* nad 2 377 } 5.745, -7.744, -62.822 
{nc4* nad 2 377 } 4.639, -6.914, -62.167 
{no4* nad 2 377 } 4.844, -5.494, -62.387 
{nc4* nad 2 377 } P 4.639, -6.914, -62.167 
{nc3* nad 2 377 } 3.274, -7.303, -62.733 
{no3* nad 2 377 } 2.281, -7.145, -61.718 
{nc3* nad 2 377 } P 3.274, -7.303, -62.733 
{nc2* nad 2 377 } 3.095, -6.174, -63.769 
{no2* nad 2 377 } 1.691, -5.989, -64.013 
{no4* nad 2 377 } P 4.844, -5.494, -62.387 
{nc1* nad 2 377 } 3.624, -5.013, -62.899 
{nn1  nad 2 377 } 3.978, -3.768, -63.552 
{nc2  nad 2 377 } 3.781, -2.642, -62.898 
{nc3  nad 2 377 } 4.123, -1.467, -63.434 
{nc7  nad 2 377 } 3.960, -0.289, -62.797 
{no7  nad 2 377 } 4.373, 0.732, -63.373 
{nc7  nad 2 377 } P 3.960, -0.289, -62.797 
{nn7  nad 2 377 } 3.617, -0.124, -61.527 
{nc3  nad 2 377 } P 4.123, -1.467, -63.434 
{nc4  nad 2 377 } 4.666, -1.431, -64.666 
{nc5  nad 2 377 } 4.873, -2.528, -65.360 
{nn1  nad 2 377 } P 3.978, -3.768, -63.552 
{nc6  nad 2 377 } 4.517, -3.735, -64.776 
{ac2* nad 2 377 } P 7.707, -15.073, -61.367 
{ac1* nad 2 377 } 7.739, -14.378, -59.990 
{ac5  nad 2 377 } P 5.630, -15.524, -57.287 
{ac4  nad 2 377 } 6.811, -15.066, -57.776 
{an3  nad 2 377 } P 7.942, -14.831, -57.001 
{ac4  nad 2 377 } 6.811, -15.066, -57.776 
{nc2* nad 2 377 } P 3.095, -6.174, -63.769 
{nc1* nad 2 377 } 3.624, -5.013, -62.899 
{nc5  nad 2 377 } P 4.873, -2.528, -65.360 
{nc6  nad 2 377 } 4.517, -3.735, -64.776 

@kinemage 2 
@caption
Human liver alcohol dehydrogenase complexed with substrate, or inhibitor, and cofactors. 
@onewidth 
@zoom 1.18 
@zslab 240 
@center -5.125 11.635 -28.873 
@matrix 
0.237016 -0.194408 -0.951856 -0.109269 0.968222 -0.224960 0.965341 0.157327 0.208242 
@2viewid {van der Waals}
@2zoom 3.45 
@2zslab 300 
@2center 0.841 3.794 -48.561 
@2matrix 
0.660255 -0.595273 -0.457944 0.658980 0.751676 -0.026985 0.360290 -0.283960 0.888571 
@3viewid {van der Waals}
@3zoom 3.45 
@3zslab 300 
@3center 0.841 3.794 -48.561 
@3matrix 
0.660255 -0.595273 -0.457944 0.658980 0.751676 -0.026985 0.360290 -0.283960 0.888571 
@group {subunit 1}      
@subgroup {mainchain} dominant    
@vectorlist {ca-ca} color= bluetint      
{ ca  ser a 1 } P 16.318, 13.369, 2.512 
{ ca  ser a 1 } 16.318, 13.369, 2.512 
{ ca  thr a 2 } 14.857, 10.240, 0.912 
{ ca  ala a 3 } 17.725, 9.115, -1.312 
{ ca  gly a 4 } 18.596, 5.462, -0.925 
{ ca  lys a 5 } 15.340, 4.890, 0.925 
{ ca  val a 6 } 12.040, 3.397, -0.166 
{ ca  ile a 7 } 9.597, 6.291, -0.590 
{ ca  lys a 8 } 5.955, 5.888, 0.358 
{ ca  cys a 9 } 3.537, 8.083, -1.586 
{ ca  lys a 10 } 0.181, 8.271, -3.337 
{ ca  ala a 11 } -0.352, 7.000, -6.903 
{ ca  ala a 12 } -3.370, 6.255, -9.070 
{ ca  val a 13 } -3.626, 2.477, -9.560 
{ ca  leu a 14 } -5.718, 0.761, -12.245 
{ ca  trp a 15 } -6.470, -2.693, -10.801 
{ ca  glu a 16 } -8.927, -3.677, -13.497 
{ ca  val a 17 } -9.958, -2.476, -16.962 
{ ca  lys a 18 } -12.992, -0.188, -17.282 
{ ca  lys a 19 } -12.779, 0.784, -13.601 
{ ca  pro a 20 } -12.013, 4.143, -11.943 
{ ca  phe a 21 } -8.499, 4.898, -10.790 
{ ca  ser a 22 } -7.899, 4.133, -7.124 
{ ca  ile a 23 } -5.604, 6.584, -5.328 
{ ca  glu a 24 } -3.458, 4.439, -3.037 
{ ca  asp a 25 } -0.264, 4.530, -0.999 
{ ca  val a 26 } 2.534, 2.741, -2.746 
{ ca  glu a 27 } 6.177, 2.153, -2.028 
{ ca  val a 28 } 8.676, 3.359, -4.629 
{ ca  ala a 29 } 11.963, 1.487, -4.456 
{ ca  pro a 30 } 15.089, 3.603, -4.839 
{ ca  pro a 31 } 16.705, 3.759, -8.327 
{ ca  lys a 32 } 19.200, 1.165, -9.529 
{ ca  ala a 33 } 22.203, 1.858, -11.738 
{ ca  tyr a 34 } 21.247, 4.067, -14.690 
{ ca  glu a 35 } 17.797, 4.816, -13.209 
{ ca  val a 36 } 16.378, 8.127, -12.049 
{ ca  arg a 37 } 13.709, 8.584, -9.373 
{ ca  ile a 38 } 11.620, 11.627, -10.107 
{ ca  lys a 39 } 9.258, 13.771, -8.095 
{ ca  met a 40 } 6.279, 14.644, -10.286 
{ ca  val a 41 } 5.101, 18.251, -10.662 
{ ca  ala a 42 } 2.530, 18.092, -13.510 
{ ca  val a 43 } 1.053, 15.351, -15.727 
{ ca  gly a 44 } -1.115, 15.661, -18.817 
{ ca  ile a 45 } -3.952, 13.237, -19.552 
{ ca  cys a 46 } -3.481, 11.666, -23.048 
{ ca  arg a 47 } -6.045, 9.375, -24.747 
{ ca  thr a 48 } -3.399, 6.597, -24.766 
{ ca  asp a 49 } -3.743, 6.330, -20.982 
{ ca  asp a 50 } -7.464, 6.111, -21.554 
{ ca  his a 51 } -6.898, 3.358, -24.129 
{ ca  val a 52 } -5.659, 1.002, -21.421 
{ ca  val a 53 } -8.611, 1.758, -19.123 
{ ca  ser a 54 } -11.144, 1.235, -21.929 
{ ca  gly a 55 } -9.347, -1.939, -22.995 
{ ca  asn a 56 } -8.268, -0.857, -26.519 
{ ca  leu a 57 } -4.564, -1.156, -25.635 
{ ca  val a 58 } -3.478, -4.262, -23.761 
{ ca  thr a 59 } -0.844, -3.927, -21.074 
{ ca  pro a 60 } -0.374, -5.983, -17.879 
{ ca  leu a 61 } -2.481, -4.952, -14.861 
{ ca  pro a 62 } -2.651, -3.774, -12.107 
{ ca  val a 63 } -0.710, -0.765, -13.402 
{ ca  ile a 64 } 0.364, 2.816, -12.857 
{ ca  leu a 65 } -0.245, 4.739, -16.093 
{ ca  gly a 66 } 0.675, 8.294, -17.084 
{ ca  his a 67 } 3.389, 9.407, -19.504 
{ ca  glu a 68 } 3.051, 13.060, -20.503 
{ ca  ala a 69 } 4.784, 14.696, -17.556 
{ ca  ala a 70 } 7.315, 17.037, -16.041 
{ ca  gly a 71 } 9.010, 16.822, -12.657 
{ ca  ile a 72 } 12.228, 17.190, -10.671 
{ ca  val a 73 } 14.997, 14.621, -10.159 
{ ca  glu a 74 } 14.868, 13.393, -6.550 
{ ca  ser a 75 } 17.935, 11.133, -6.866 
{ ca  val a 76 } 19.986, 9.215, -9.452 
{ ca  gly a 77 } 21.290, 5.649, -9.396 
{ ca  glu a 78 } 24.892, 4.510, -9.883 
{ ca  gly a 79 } 26.279, 5.277, -13.331 
{ ca  val a 80 } 23.870, 8.104, -14.147 
{ ca  thr a 81 } 25.663, 11.036, -15.831 
{ ca  thr a 82 } 22.979, 12.937, -17.766 
{ ca  val a 83 } 21.055, 14.386, -14.821 
{ ca  lys a 84 } 21.525, 15.338, -11.186 
{ ca  pro a 85 } 19.114, 15.803, -8.260 
{ ca  gly a 86 } 17.228, 19.071, -8.593 
{ ca  asp a 87 } 17.126, 19.007, -12.411 
{ ca  lys a 88 } 13.877, 19.653, -14.253 
{ ca  val a 89 } 13.147, 16.725, -16.543 
{ ca  ile a 90 } 10.560, 15.164, -18.819 
{ ca  pro a 91 } 10.186, 11.371, -18.901 
{ ca  leu a 92 } 9.944, 9.922, -22.447 
{ ca  phe a 93 } 7.404, 7.234, -23.357 
{ ca  thr a 94 } 9.858, 6.007, -26.000 
{ ca  pro a 95 } 13.516, 5.879, -24.997 
{ ca  gln a 96 } 16.636, 6.800, -26.913 
{ ca  cys a 97 } 19.132, 4.132, -25.824 
{ ca  gly a 98 } 21.456, 5.425, -28.531 
{ ca  lys a 99 } 22.962, 2.019, -29.267 
{ ca  cys a 100 } 20.344, 0.136, -31.221 
{ ca  arg a 101 } 19.898, -0.038, -35.002 
{ ca  val a 102 } 17.008, 2.418, -34.717 
{ ca  cys a 103 } 18.840, 4.974, -32.577 
{ ca  lys a 104 } 21.816, 4.946, -34.951 
{ ca  asn a 105 } 19.503, 5.409, -37.946 
{ ca  pro a 106 } 19.086, 9.219, -38.171 
{ ca  glu a 107 } 15.572, 8.906, -39.631 
{ ca  ser a 108 } 13.885, 6.556, -37.139 
{ ca  asn a 109 } 13.057, 7.105, -33.458 
{ ca  tyr a 110 } 11.210, 3.965, -32.311 
{ ca  cys a 111 } 13.995, 2.752, -30.002 
{ ca  leu a 112 } 14.199, -1.018, -29.387 
{ ca  lys a 113 } 14.086, -0.581, -25.576 
{ ca  asn a 114 } 10.422, 0.501, -25.834 
{ ca  asp a 115 } 7.589, -1.271, -24.006 
{ ca  leu a 116 } 4.932, -0.671, -26.674 
{ ca  gly a 117 } 5.719, -3.542, -29.017 
{ ca  asn a 118 } 5.021, -6.250, -26.451 
{ ca  pro a 119 } 4.503, -4.608, -23.027 
{ ca  arg a 120 } 6.298, -6.350, -20.167 
{ ca  gly a 121 } 5.085, -3.612, -17.828 
{ ca  thr a 122 } 8.561, -3.198, -16.343 
{ ca  leu a 123 } 11.677, -1.054, -16.449 
{ ca  gln a 124 } 14.475, -1.969, -18.856 
{ ca  asp a 125 } 16.115, -4.514, -16.573 
{ ca  gly a 126 } 12.894, -6.514, -16.337 
{ ca  thr a 127 } 11.730, -5.554, -12.839 
{ ca  arg a 128 } 9.259, -3.162, -11.138 
{ ca  arg a 129 } 9.783, -0.513, -8.429 
{ ca  phe a 130 } 6.222, -0.176, -7.169 
{ ca  thr a 131 } 4.558, -2.237, -4.462 
{ ca  cys a 132 } 1.016, -1.808, -3.142 
{ ca  arg a 133 } -0.028, -3.964, -0.201 
{ ca  gly a 134 } 2.703, -6.492, -0.915 
{ ca  lys a 135 } 1.588, -6.811, -4.544 
{ ca  pro a 136 } 4.171, -5.561, -7.064 
{ ca  ile a 137 } 2.695, -3.011, -9.478 
{ ca  his a 138 } 3.423, -2.752, -13.214 
{ ca  his a 139 } 5.008, 0.199, -14.990 
{ ca  phe a 140 } 3.583, 1.791, -18.179 
{ ca  leu a 141 } 5.776, 2.679, -21.143 
{ ca  gly a 142 } 8.629, 2.689, -18.644 
{ ca  thr a 143 } 7.375, 6.021, -17.295 
{ ca  ser a 144 } 4.324, 5.543, -15.011 
{ ca  thr a 145 } 3.751, 9.195, -14.087 
{ ca  phe a 146 } 0.343, 9.040, -12.320 
{ ca  ser a 147 } 2.341, 8.810, -9.097 
{ ca  gln a 148 } 3.956, 11.337, -6.780 
{ ca  tyr a 149 } 7.313, 9.686, -7.397 
{ ca  thr a 150 } 8.372, 7.367, -10.204 
{ ca  val a 151 } 11.604, 5.711, -11.360 
{ ca  val a 152 } 12.643, 5.684, -15.044 
{ ca  asp a 153 } 15.655, 4.448, -16.971 
{ ca  glu a 154 } 18.279, 7.090, -17.665 
{ ca  asn a 155 } 17.816, 6.755, -21.434 
{ ca  ala a 156 } 14.113, 7.609, -20.999 
{ ca  val a 157 } 14.531, 10.935, -19.195 
{ ca  ala a 158 } 15.388, 14.296, -20.775 
{ ca  lys a 159 } 16.899, 17.225, -18.900 
{ ca  ile a 160 } 15.132, 20.480, -19.690 
{ ca  asp a 161 } 15.527, 24.202, -19.064 
{ ca  ala a 162 } 15.946, 24.963, -15.348 
{ ca  ala a 163 } 13.480, 27.842, -15.755 
{ ca  ser a 164 } 10.795, 25.874, -17.637 
{ ca  pro a 165 } 7.213, 26.207, -16.290 
{ ca  leu a 166 } 6.525, 22.511, -15.552 
{ ca  glu a 167 } 2.738, 22.882, -15.661 
{ ca  lys a 168 } 3.007, 23.906, -19.308 
{ ca  val a 169 } 5.942, 22.010, -20.789 
{ ca  cys a 170 } 4.525, 18.663, -19.644 
{ ca  leu a 171 } 2.524, 18.623, -22.897 
{ ca  ile a 172 } 5.847, 18.495, -24.705 
{ ca  gly a 173 } 6.427, 15.120, -23.073 
{ ca  cys a 174 } 3.894, 13.629, -25.519 
{ ca  gly a 175 } 0.790, 15.393, -26.824 
{ ca  phe a 176 } 2.456, 18.393, -28.413 
{ ca  ser a 177 } 5.606, 16.666, -29.661 
{ ca  thr a 178 } 3.500, 13.981, -31.312 
{ ca  gly a 179 } 1.058, 16.357, -32.981 
{ ca  tyr a 180 } 3.560, 18.999, -34.120 
{ ca  gly a 181 } 6.226, 16.522, -35.203 
{ ca  ser a 182 } 3.806, 14.438, -37.192 
{ ca  ala a 183 } 3.352, 17.386, -39.564 
{ ca  val a 184 } 6.867, 18.867, -39.436 
{ ca  asn a 185 } 8.943, 15.644, -39.220 
{ ca  val a 186 } 6.947, 12.654, -40.409 
{ ca  ala a 187 } 4.680, 13.992, -43.176 
{ ca  lys a 188 } 7.103, 16.823, -43.924 
{ ca  val a 189 } 4.277, 19.237, -44.863 
{ ca  thr a 190 } 5.366, 21.445, -47.792 
{ ca  pro a 191 } 4.576, 25.172, -47.886 
{ ca  gly a 192 } 1.523, 26.036, -49.980 
{ ca  ser a 193 } 0.066, 22.545, -49.514 
{ ca  thr a 194 } -3.429, 21.461, -48.472 
{ ca  cys a 195 } -3.881, 19.559, -45.196 
{ ca  ala a 196 } -6.706, 17.597, -43.542 
{ ca  val a 197 } -6.465, 16.746, -39.803 
{ ca  phe a 198 } -8.969, 14.214, -38.398 
{ ca  gly a 199 } -9.349, 14.692, -34.631 
{ ca  leu a 200 } -9.075, 17.896, -32.618 
{ ca  gly a 201 } -7.845, 16.759, -29.206 
{ ca  gly a 202 } -4.575, 17.984, -27.716 
{ ca  val a 203 } -2.603, 15.869, -30.193 
{ ca  gly a 204 } -4.679, 16.773, -33.268 
{ ca  leu a 205 } -4.546, 20.510, -32.460 
{ ca  ser a 206 } -0.768, 20.232, -32.227 
{ ca  ala a 207 } -0.859, 18.651, -35.695 
{ ca  val a 208 } -2.778, 21.752, -36.850 
{ ca  met a 209 } -0.181, 24.080, -35.331 
{ ca  gly a 210 } 2.523, 22.056, -37.011 
{ ca  cys a 211 } 0.845, 22.317, -40.432 
{ ca  lys a 212 } 0.635, 26.090, -39.967 
{ ca  ala a 213 } 4.324, 26.296, -39.000 
{ ca  ala a 214 } 5.136, 24.275, -42.115 
{ ca  gly a 215 } 3.283, 26.830, -44.216 
{ ca  ala a 216 } 0.340, 24.836, -45.516 
{ ca  ala a 217 } -2.062, 27.120, -47.429 
{ ca  arg a 218 } -5.145, 25.245, -46.250 
{ ca  ile a 219 } -5.819, 23.213, -43.130 
{ ca  ile a 220 } -9.233, 21.573, -42.855 
{ ca  ala a 221 } -10.011, 20.367, -39.319 
{ ca  val a 222 } -12.409, 17.473, -38.991 
{ ca  asp a 223 } -14.179, 16.456, -35.777 
{ ca  ile a 224 } -17.689, 15.481, -34.744 
{ ca  asn a 225 } -17.445, 17.919, -31.816 
{ ca  lys a 226 } -18.107, 21.456, -33.076 
{ ca  asp a 227 } -16.965, 22.993, -29.788 
{ ca  lys a 228 } -13.387, 22.198, -30.899 
{ ca  phe a 229 } -13.708, 24.355, -34.052 
{ ca  ala a 230 } -13.168, 27.660, -32.224 
{ ca  lys a 231 } -9.749, 26.500, -31.044 
{ ca  ala a 232 } -8.677, 24.852, -34.329 
{ ca  lys a 233 } -9.433, 28.161, -36.066 
{ ca  glu a 234 } -7.465, 30.116, -33.481 
{ ca  leu a 235 } -4.595, 27.645, -33.977 
{ ca  gly a 236 } -4.375, 27.767, -37.766 
{ ca  ala a 237 } -7.223, 25.883, -39.389 
{ ca  thr a 238 } -8.539, 27.630, -42.487 
{ ca  glu a 239 } -11.828, 25.722, -42.185 
{ ca  cys a 240 } -13.541, 23.109, -40.033 
{ ca  ile a 241 } -16.150, 20.571, -41.002 
{ ca  asn a 242 } -18.340, 18.124, -39.132 
{ ca  pro a 243 } -18.904, 14.781, -40.952 
{ ca  gln a 244 } -22.357, 14.608, -39.373 
{ ca  asp a 245 } -23.590, 17.626, -41.354 
{ ca  tyr a 246 } -23.181, 15.744, -44.632 
{ ca  lys a 247 } -25.143, 13.245, -46.723 
{ ca  lys a 248 } -22.112, 11.749, -48.473 
{ ca  pro a 249 } -18.982, 10.157, -46.937 
{ ca  ile a 250 } -16.478, 12.602, -45.489 
{ ca  gln a 251 } -13.803, 11.450, -47.979 
{ ca  glu a 252 } -15.986, 12.449, -50.953 
{ ca  val a 253 } -16.610, 15.885, -49.438 
{ ca  leu a 254 } -12.937, 16.513, -48.843 
{ ca  lys a 255 } -12.010, 15.438, -52.358 
{ ca  glu a 256 } -14.627, 17.792, -53.854 
{ ca  met a 257 } -13.394, 20.788, -51.824 
{ ca  thr a 258 } -9.744, 20.262, -52.761 
{ ca  asp a 259 } -9.583, 19.434, -56.472 
{ ca  gly a 260 } -9.257, 15.693, -56.008 
{ ca  gly a 261 } -7.906, 15.425, -52.449 
{ ca  val a 262 } -5.502, 16.981, -49.931 
{ ca  asp a 263 } -1.726, 16.686, -50.119 
{ ca  phe a 264 } -1.356, 15.690, -46.406 
{ ca  ser a 265 } -3.920, 13.749, -44.363 
{ ca  phe a 266 } -3.620, 13.057, -40.604 
{ ca  glu a 267 } -5.626, 10.586, -38.561 
{ ca  val a 268 } -5.259, 11.621, -34.881 
{ ca  ile a 269 } -8.266, 9.817, -33.314 
{ ca  gly a 270 } -7.605, 6.063, -33.347 
{ ca  arg a 271 } -10.488, 4.576, -35.292 
{ ca  leu a 272 } -10.473, 2.245, -38.285 
{ ca  asp a 273 } -13.183, 4.047, -40.221 
{ ca  thr a 274 } -11.386, 7.375, -39.921 
{ ca  met a 275 } -7.954, 5.952, -40.817 
{ ca  met a 276 } -9.603, 4.686, -44.036 
{ ca  ala a 277 } -11.397, 7.998, -44.733 
{ ca  ser a 278 } -8.029, 9.636, -44.019 
{ ca  leu a 279 } -6.229, 7.588, -46.656 
{ ca  leu a 280 } -9.074, 8.045, -49.163 
{ ca  cys a 281 } -9.147, 11.842, -48.811 
{ ca  cys a 282 } -5.544, 12.461, -49.813 
{ ca  his a 283 } -4.925, 12.859, -53.557 
{ ca  glu a 284 } -4.458, 9.467, -55.231 
{ ca  ala a 285 } -1.324, 10.550, -57.012 
{ ca  cys a 286 } 0.455, 12.886, -54.633 
{ ca  gly a 287 } -1.147, 12.526, -51.235 
{ ca  thr a 288 } 0.432, 11.364, -47.995 
{ ca  ser a 289 } -1.719, 9.918, -45.230 
{ ca  val a 290 } -0.152, 9.828, -41.765 
{ ca  ile a 291 } -1.478, 7.622, -38.973 
{ ca  val a 292 } -1.046, 9.064, -35.486 
{ ca  gly a 293 } -4.047, 7.556, -33.697 
{ ca  val a 294 } -3.431, 4.362, -31.740 
{ ca  pro a 295 } -5.858, 1.794, -33.217 
{ ca  pro a 296 } -7.915, -0.563, -30.992 
{ ca  ala a 297 } -6.139, -3.876, -30.413 
{ ca  ser a 298 } -6.290, -6.633, -33.026 
{ ca  gln a 299 } -8.553, -4.659, -35.393 
{ ca  asn a 300 } -7.696, -4.894, -39.114 
{ ca  leu a 301 } -8.212, -2.512, -42.044 
{ ca  ser a 302 } -9.189, -3.917, -45.435 
{ ca  ile a 303 } -7.633, -1.961, -48.283 
{ ca  asn a 304 } -7.420, -2.207, -52.063 
{ ca  pro a 305 } -3.689, -2.046, -52.865 
{ ca  met a 306 } -4.584, -0.034, -56.018 
{ ca  leu a 307 } -5.221, 2.858, -53.633 
{ ca  leu a 308 } -1.440, 3.016, -53.239 
{ ca  leu a 309 } -0.150, 2.181, -56.748 
{ ca  thr a 310 } -1.284, 5.529, -58.109 
{ ca  gly a 311 } 1.286, 7.352, -55.997 
{ ca  arg a 312 } -0.101, 7.560, -52.460 
{ ca  thr a 313 } 2.170, 7.338, -49.411 
{ ca  trp a 314 } 0.952, 5.685, -46.207 
{ ca  lys a 315 } 3.001, 5.762, -43.026 
{ ca  gly a 316 } 2.660, 6.181, -39.265 
{ ca  ala a 317 } 4.892, 7.320, -36.403 
{ ca  val a 318 } 5.341, 7.589, -32.644 
{ ca  tyr a 319 } 6.331, 10.777, -30.764 
{ ca  gly a 320 } 6.023, 12.601, -34.057 
{ ca  gly a 321 } 9.317, 11.212, -35.334 
{ ca  phe a 322 } 11.333, 12.951, -32.638 
{ ca  lys a 323 } 14.285, 11.065, -31.176 
{ ca  ser a 324 } 13.131, 11.481, -27.554 
{ ca  lys a 325 } 16.198, 12.469, -25.526 
{ ca  glu a 326 } 17.589, 14.839, -28.175 
{ ca  gly a 327 } 14.358, 16.346, -29.448 
{ ca  ile a 328 } 12.478, 17.130, -26.235 
{ ca  pro a 329 } 15.089, 19.556, -24.787 
{ ca  lys a 330 } 15.301, 21.461, -28.109 
{ ca  leu a 331 } 11.519, 21.751, -28.309 
{ ca  val a 332 } 11.433, 23.081, -24.717 
{ ca  ala a 333 } 13.957, 25.740, -25.758 
{ ca  asp a 334 } 11.704, 26.726, -28.696 
{ ca  phe a 335 } 8.825, 27.081, -26.244 
{ ca  met a 336 } 10.976, 29.274, -24.029 
{ ca  ala a 337 } 11.769, 31.463, -27.041 
{ ca  lys a 338 } 8.038, 32.034, -27.573 
{ ca  lys a 339 } 8.329, 30.121, -30.850 
{ ca  phe a 340 } 4.936, 28.575, -30.035 
{ ca  ser a 341 } 2.412, 28.659, -27.176 
{ ca  leu a 342 } 0.753, 25.797, -25.231 
{ ca  asp a 343 } -1.909, 27.826, -23.446 
{ ca  ala a 344 } -4.777, 27.060, -25.794 
{ ca  leu a 345 } -4.357, 23.313, -25.393 
{ ca  ile a 346 } -4.499, 23.356, -21.593 
{ ca  thr a 347 } -8.154, 23.757, -20.775 
{ ca  his a 348 } -8.324, 22.340, -17.231 
{ ca  val a 349 } -6.041, 22.136, -14.219 
{ ca  leu a 350 } -6.994, 19.815, -11.366 
{ ca  pro a 351 } -5.081, 18.475, -8.387 
{ ca  phe a 352 } -3.755, 14.921, -8.924 
{ ca  glu a 353 } -6.397, 13.490, -6.593 
{ ca  lys a 354 } -9.101, 14.476, -9.065 
{ ca  ile a 355 } -7.706, 12.222, -11.812 
{ ca  asn a 356 } -11.046, 10.439, -12.303 
{ ca  glu a 357 } -12.684, 13.815, -12.869 
{ ca  gly a 358 } -9.998, 14.450, -15.471 
{ ca  phe a 359 } -10.751, 11.296, -17.435 
{ ca  asp a 360 } -14.427, 12.185, -17.230 
{ ca  leu a 361 } -13.742, 15.565, -18.820 
{ ca  leu a 362 } -11.971, 13.750, -21.690 
{ ca  his a 363 } -14.884, 11.350, -22.143 
{ ca  ser a 364 } -17.451, 14.161, -22.203 
{ ca  gly a 365 } -15.449, 16.042, -24.824 
{ ca  lys a 366 } -15.369, 19.139, -22.620 
{ ca  ser a 367 } -11.607, 19.283, -22.388 
{ ca  ile a 368 } -8.688, 19.294, -24.763 
{ ca  arg a 369 } -5.802, 18.709, -22.352 
{ ca  thr a 370 } -6.357, 18.532, -18.585 
{ ca  val a 371 } -3.172, 18.933, -16.516 
{ ca  leu a 372 } -2.946, 17.400, -13.010 
{ ca  thr a 373 } -0.837, 19.099, -10.359 
{ ca  phe a 374 } 0.931, 17.479, -7.415 
@subgroup {sidechain} dominant    
@vectorlist {sc} color= cyan      
{ ca  leu a 57 } P -4.564, -1.156, -25.635 
{ cb  leu a 57 } -3.782, 0.158, -25.406 
{ cg  leu a 57 } -2.240, 0.195, -25.372 
{ cd1 leu a 57 } -1.662, -0.216, -26.712 
{ cg  leu a 57 } P -2.240, 0.195, -25.372 
{ cd2 leu a 57 } -1.750, 1.590, -25.024 
{ ca  phe a 93 } P 7.404, 7.234, -23.357 
{ cb  phe a 93 } 5.921, 7.406, -23.658 
{ cg  phe a 93 } 5.608, 7.908, -25.045 
{ cd1 phe a 93 } 5.441, 7.014, -26.097 
{ ce1 phe a 93 } 5.067, 7.461, -27.373 
{ cz  phe a 93 } 4.861, 8.809, -27.588 
{ cg  phe a 93 } P 5.608, 7.908, -25.045 
{ cd2 phe a 93 } 5.404, 9.261, -25.279 
{ ce2 phe a 93 } 5.031, 9.716, -26.540 
{ cz  phe a 93 } 4.861, 8.809, -27.588 
{ ca  leu a 116 } P 4.932, -0.671, -26.674 
{ cb  leu a 116 } 4.917, 0.581, -27.553 
{ cg  leu a 116 } 3.637, 0.773, -28.375 
{ cd1 leu a 116 } 2.439, 1.039, -27.448 
{ cg  leu a 116 } P 3.637, 0.773, -28.375 
{ cd2 leu a 116 } 3.818, 1.902, -29.368 
{ ca  met a 306 } P -4.584, -0.034, -56.018 
{ cb  met a 306 } -5.820, -0.192, -56.906 
{ cg  met a 306 } -5.705, -1.203, -58.043 
{ sd  met a 306 } -4.472, -0.772, -59.321 
{ ce  met a 306 } -4.754, 0.991, -59.525 
@group {subunit 2}    off  
@subgroup {mainchain} dominant    
@vectorlist {ca-ca} color= yellowtint      
{ ca  ser b 1 } P 2.079, 8.560, -99.633 
{ ca  ser b 1 } 2.079, 8.560, -99.633 
{ ca  thr b 2 } 0.419, 7.266, -96.439 
{ ca  ala b 3 } 0.108, 10.627, -94.677 
{ ca  gly b 4 } -3.463, 11.832, -94.280 
{ ca  lys b 5 } -4.493, 8.439, -95.606 
{ ca  val b 6 } -5.977, 5.627, -93.558 
{ ca  ile b 7 } -3.354, 2.863, -93.304 
{ ca  lys b 8 } -4.409, -0.777, -93.459 
{ ca  cys b 9 } -2.073, -3.092, -91.553 
{ ca  lys b 10 } -1.757, -6.145, -89.345 
{ ca  ala b 11 } -2.258, -5.975, -85.569 
{ ca  ala b 12 } -2.895, -8.480, -82.762 
{ ca  val b 13 } -6.508, -7.984, -81.695 
{ ca  leu b 14 } -7.905, -9.426, -78.485 
{ ca  trp b 15 } -11.636, -10.045, -78.885 
{ ca  glu b 16 } -12.154, -12.096, -75.716 
{ ca  val b 17 } -10.342, -12.783, -72.462 
{ ca  lys b 18 } -8.247, -15.951, -72.055 
{ ca  lys b 19 } -8.199, -16.282, -75.834 
{ ca  pro b 20 } -5.232, -15.987, -78.208 
{ ca  phe b 21 } -4.462, -12.831, -80.164 
{ ca  ser b 22 } -5.625, -12.606, -83.781 
{ ca  ile b 23 } -3.157, -11.143, -86.257 
{ ca  glu b 24 } -5.766, -9.299, -88.336 
{ ca  asp b 25 } -6.068, -6.493, -90.892 
{ ca  val b 26 } -7.120, -3.244, -89.238 
{ ca  glu b 27 } -7.523, 0.286, -90.565 
{ ca  val b 28 } -5.511, 2.878, -88.629 
{ ca  ala b 29 } -7.085, 6.313, -89.075 
{ ca  pro b 30 } -4.818, 9.361, -89.604 
{ ca  pro b 31 } -3.627, 11.471, -86.600 
{ ca  lys b 32 } -5.883, 14.334, -85.465 
{ ca  ala b 33 } -4.485, 17.603, -84.083 
{ ca  tyr b 34 } -1.865, 17.025, -81.366 
{ ca  glu b 35 } -1.578, 13.358, -82.285 
{ ca  val b 36 } 1.259, 11.294, -83.790 
{ ca  arg b 37 } 0.990, 8.174, -85.951 
{ ca  ile b 38 } 3.909, 5.876, -85.157 
{ ca  lys b 39 } 5.431, 3.042, -87.188 
{ ca  met b 40 } 6.356, 0.311, -84.681 
{ ca  val b 41 } 9.789, -1.344, -84.808 
{ ca  ala b 42 } 10.150, -3.279, -81.532 
{ ca  val b 43 } 7.650, -4.184, -78.798 
{ ca  gly b 44 } 8.536, -5.904, -75.528 
{ ca  ile b 45 } 6.001, -8.057, -73.687 
{ ca  cys b 46 } 5.062, -6.780, -70.170 
{ ca  arg b 47 } 3.034, -8.833, -67.655 
{ ca  thr b 48 } 0.480, -6.012, -67.579 
{ ca  asp b 49 } -0.526, -6.856, -71.197 
{ ca  asp b 50 } -1.094, -10.401, -69.973 
{ ca  his b 51 } -3.239, -9.096, -67.088 
{ ca  val b 52 } -5.923, -8.146, -69.610 
{ ca  val b 53 } -5.547, -11.517, -71.310 
{ ca  ser b 54 } -6.169, -13.224, -67.939 
{ ca  gly b 55 } -8.974, -10.932, -66.827 
{ ca  asn b 56 } -6.985, -9.534, -63.890 
{ ca  leu b 57 } -7.067, -6.027, -65.378 
{ ca  val b 58 } -10.389, -5.035, -66.888 
{ ca  thr b 59 } -10.546, -2.716, -69.907 
{ ca  pro b 60 } -13.100, -2.512, -72.737 
{ ca  leu b 61 } -12.709, -5.129, -75.474 
{ ca  pro b 62 } -12.006, -5.624, -78.423 
{ ca  val b 63 } -8.647, -4.028, -77.755 
{ ca  ile b 64 } -5.160, -3.792, -79.159 
{ ca  leu b 65 } -2.723, -4.113, -76.275 
{ ca  gly b 66 } 0.934, -3.185, -75.954 
{ ca  his b 67 } 2.528, -0.143, -74.326 
{ ca  glu b 68 } 6.223, -1.091, -74.043 
{ ca  ala b 69 } 7.803, -0.228, -77.405 
{ ca  ala b 70 } 9.814, 2.007, -79.755 
{ ca  gly b 71 } 9.097, 3.263, -83.271 
{ ca  ile b 72 } 9.393, 5.987, -85.907 
{ ca  val b 73 } 7.090, 8.950, -86.543 
{ ca  glu b 74 } 5.151, 8.149, -89.709 
{ ca  ser b 75 } 3.155, 11.422, -89.541 
{ ca  val b 76 } 1.967, 14.066, -87.104 
{ ca  gly b 77 } -1.279, 15.976, -86.770 
{ ca  glu b 78 } -1.870, 19.718, -86.673 
{ ca  gly b 79 } -0.330, 21.588, -83.753 
{ ca  val b 80 } 2.411, 19.035, -83.112 
{ ca  thr b 81 } 5.593, 20.777, -81.940 
{ ca  thr b 82 } 7.649, 18.060, -80.200 
{ ca  val b 83 } 8.081, 15.420, -82.889 
{ ca  lys b 84 } 8.344, 15.444, -86.677 
{ ca  pro b 85 } 8.130, 12.545, -89.148 
{ ca  gly b 86 } 11.192, 10.277, -89.142 
{ ca  asp b 87 } 11.873, 11.046, -85.465 
{ ca  lys b 88 } 12.592, 8.054, -83.244 
{ ca  val b 89 } 9.966, 7.748, -80.524 
{ ca  ile b 90 } 8.808, 5.862, -77.445 
{ ca  pro b 91 } 5.073, 5.912, -76.625 
{ ca  leu b 92 } 4.421, 6.488, -72.888 
{ ca  phe b 93 } 1.722, 4.413, -71.129 
{ ca  thr b 94 } 1.377, 7.379, -68.773 
{ ca  pro b 95 } 1.146, 10.901, -70.279 
{ ca  gln b 96 } 2.638, 14.182, -69.062 
{ ca  cys b 97 } 0.077, 16.704, -70.211 
{ ca  gly b 98 } 2.071, 19.300, -68.236 
{ ca  lys b 99 } -1.081, 21.185, -67.252 
{ ca  cys b 100 } -2.854, 19.193, -64.572 
{ ca  arg b 101 } -2.309, 19.413, -60.814 
{ ca  val b 102 } -0.163, 16.249, -60.944 
{ ca  cys b 103 } 2.112, 17.278, -63.837 
{ ca  lys b 104 } 2.721, 20.585, -62.052 
{ ca  asn b 105 } 3.726, 18.764, -58.844 
{ ca  pro b 106 } 7.512, 18.086, -58.757 
{ ca  glu b 107 } 7.153, 14.588, -57.322 
{ ca  ser b 108 } 4.043, 13.078, -58.908 
{ ca  asn b 109 } 3.830, 11.526, -62.389 
{ ca  tyr b 110 } 0.398, 9.926, -62.587 
{ ca  cys b 111 } -1.044, 12.549, -64.991 
{ ca  leu b 112 } -4.825, 13.012, -64.966 
{ ca  lys b 113 } -4.857, 12.186, -68.685 
{ ca  asn b 114 } -4.104, 8.504, -68.053 
{ ca  asp b 115 } -6.456, 5.689, -69.069 
{ ca  leu b 116 } -5.592, 3.462, -66.072 
{ ca  gly b 117 } -7.930, 4.774, -63.386 
{ ca  asn b 118 } -11.088, 4.548, -65.407 
{ ca  pro b 119 } -10.308, 2.880, -68.774 
{ ca  arg b 120 } -12.188, 4.201, -71.813 
{ ca  gly b 121 } -10.006, 2.469, -74.414 
{ ca  thr b 122 } -9.830, 5.690, -76.385 
{ ca  leu b 123 } -7.406, 8.493, -77.025 
{ ca  gln b 124 } -7.572, 11.590, -74.846 
{ ca  asp b 125 } -10.321, 13.028, -77.042 
{ ca  gly b 126 } -12.636, 10.140, -76.280 
{ ca  thr b 127 } -12.486, 8.543, -79.727 
{ ca  arg b 128 } -10.801, 5.555, -81.364 
{ ca  arg b 129 } -8.551, 5.379, -84.421 
{ ca  phe b 130 } -8.764, 1.636, -85.018 
{ ca  thr b 131 } -11.345, -0.308, -86.968 
{ ca  cys b 132 } -11.458, -3.961, -87.972 
{ ca  arg b 133 } -14.206, -5.591, -90.017 
{ ca  gly b 134 } -16.543, -2.620, -89.762 
{ ca  lys b 135 } -16.000, -2.665, -86.000 
{ ca  pro b 136 } -14.304, 0.022, -83.898 
{ ca  ile b 137 } -11.444, -1.435, -81.794 
{ ca  his b 138 } -10.279, -0.038, -78.421 
{ ca  his b 139 } -6.876, 1.373, -77.606 
{ ca  phe b 140 } -4.953, 0.329, -74.486 
{ ca  leu b 141 } -3.325, 2.803, -72.109 
{ ca  gly b 142 } -3.487, 5.168, -75.061 
{ ca  thr b 143 } -0.600, 3.320, -76.730 
{ ca  ser b 144 } -1.779, 0.014, -78.337 
{ ca  thr b 145 } 1.692, -0.892, -79.547 
{ ca  phe b 146 } 0.822, -4.461, -80.719 
{ ca  ser b 147 } 0.123, -3.044, -84.166 
{ ca  gln b 148 } 2.309, -2.230, -87.155 
{ ca  tyr b 149 } 1.092, 1.359, -86.803 
{ ca  thr b 150 } -0.625, 3.249, -84.005 
{ ca  val b 151 } -1.818, 6.790, -83.243 
{ ca  val b 152 } -0.871, 8.355, -79.869 
{ ca  asp b 153 } -1.396, 11.741, -78.198 
{ ca  glu b 154 } 1.556, 14.112, -78.378 
{ ca  asn b 155 } 1.861, 14.391, -74.575 
{ ca  ala b 156 } 2.146, 10.563, -74.525 
{ ca  val b 157 } 5.093, 10.244, -76.964 
{ ca  ala b 158 } 8.760, 11.054, -76.326 
{ ca  lys b 159 } 11.500, 11.739, -78.868 
{ ca  ile b 160 } 14.746, 9.854, -78.243 
{ ca  asp b 161 } 18.341, 9.842, -79.526 
{ ca  ala b 162 } 18.447, 9.402, -83.308 
{ ca  ala b 163 } 21.034, 6.621, -83.036 
{ ca  ser b 164 } 18.991, 4.616, -80.488 
{ ca  pro b 165 } 18.767, 0.845, -81.156 
{ ca  leu b 166 } 14.954, 0.554, -81.049 
{ ca  glu b 167 } 15.249, -3.200, -80.387 
{ ca  lys b 168 } 16.828, -2.793, -76.957 
{ ca  val b 169 } 15.694, 0.717, -75.998 
{ ca  cys b 170 } 12.032, -0.361, -76.217 
{ ca  leu b 171 } 12.369, -1.723, -72.645 
{ ca  ile b 172 } 12.883, 1.824, -71.362 
{ ca  gly b 173 } 9.264, 2.227, -72.470 
{ ca  cys b 174 } 8.081, 0.323, -69.388 
{ ca  gly b 175 } 9.985, -2.537, -67.734 
{ ca  phe b 176 } 13.360, -0.896, -67.136 
{ ca  ser b 177 } 11.959, 2.528, -66.251 
{ ca  thr b 178 } 9.458, 1.074, -63.803 
{ ca  gly b 179 } 11.867, -1.193, -61.929 
{ ca  tyr b 180 } 14.885, 1.116, -61.964 
{ ca  gly b 181 } 12.894, 4.237, -61.092 
{ ca  ser b 182 } 11.048, 2.400, -58.306 
{ ca  ala b 183 } 14.396, 1.909, -56.573 
{ ca  val b 184 } 15.888, 5.338, -57.289 
{ ca  asn b 185 } 12.893, 7.698, -57.380 
{ ca  val b 186 } 10.188, 6.038, -55.310 
{ ca  ala b 187 } 11.911, 4.145, -52.509 
{ ca  lys b 188 } 14.977, 6.367, -52.747 
{ ca  val b 189 } 17.371, 3.622, -51.661 
{ ca  thr b 190 } 20.143, 5.086, -49.533 
{ ca  pro b 191 } 23.799, 4.174, -49.968 
{ ca  gly b 192 } 24.700, 1.326, -47.606 
{ ca  ser b 193 } 21.071, 0.226, -47.147 
{ ca  thr b 194 } 19.625, -3.308, -47.280 
{ ca  cys b 195 } 16.952, -4.104, -49.905 
{ ca  ala b 196 } 14.706, -7.054, -50.767 
{ ca  val b 197 } 13.074, -7.611, -54.173 
{ ca  phe b 198 } 10.149, -10.041, -54.661 
{ ca  gly b 199 } 9.790, -11.093, -58.279 
{ ca  leu b 200 } 12.634, -11.346, -60.734 
{ ca  gly b 201 } 11.088, -10.713, -64.160 
{ ca  gly b 202 } 11.899, -7.763, -66.432 
{ ca  val b 203 } 10.615, -5.163, -63.985 
{ ca  gly b 204 } 11.945, -6.966, -60.889 
{ ca  leu b 205 } 15.502, -7.255, -62.250 
{ ca  ser b 206 } 15.636, -3.564, -63.156 
{ ca  ala b 207 } 14.754, -2.923, -59.489 
{ ca  val b 208 } 17.866, -4.955, -58.617 
{ ca  met b 209 } 19.860, -2.737, -61.019 
{ ca  gly b 210 } 18.356, 0.372, -59.431 
{ ca  cys b 211 } 19.153, -0.620, -55.835 
{ ca  lys b 212 } 22.710, -1.382, -56.981 
{ ca  ala b 213 } 23.127, 2.000, -58.646 
{ ca  ala b 214 } 21.768, 3.712, -55.494 
{ ca  gly b 215 } 24.537, 2.043, -53.511 
{ ca  ala b 216 } 22.558, -0.596, -51.609 
{ ca  ala b 217 } 24.982, -2.688, -49.570 
{ ca  arg b 218 } 22.826, -5.820, -49.667 
{ ca  ile b 219 } 20.204, -6.909, -52.188 
{ ca  ile b 220 } 18.153, -9.989, -51.402 
{ ca  ala b 221 } 16.477, -11.418, -54.527 
{ ca  val b 222 } 13.288, -13.442, -54.005 
{ ca  asp b 223 } 11.662, -15.762, -56.576 
{ ca  ile b 224 } 10.141, -19.248, -56.687 
{ ca  asn b 225 } 11.737, -19.733, -60.138 
{ ca  lys b 226 } 15.393, -20.625, -59.476 
{ ca  asp b 227 } 16.336, -19.990, -63.107 
{ ca  lys b 228 } 16.221, -16.229, -62.482 
{ ca  phe b 229 } 19.022, -16.322, -59.862 
{ ca  ala b 230 } 21.748, -16.411, -62.510 
{ ca  lys b 231 } 20.682, -13.025, -63.869 
{ ca  ala b 232 } 19.713, -11.548, -60.488 
{ ca  lys b 233 } 23.255, -12.020, -59.156 
{ ca  glu b 234 } 24.759, -10.795, -62.454 
{ ca  leu b 235 } 22.749, -7.568, -62.229 
{ ca  gly b 236 } 23.692, -7.005, -58.595 
{ ca  ala b 237 } 21.743, -9.233, -56.224 
{ ca  thr b 238 } 23.901, -10.172, -53.257 
{ ca  glu b 239 } 21.876, -13.308, -52.522 
{ ca  cys b 240 } 18.869, -15.230, -53.758 
{ ca  ile b 241 } 16.079, -16.836, -51.760 
{ ca  asn b 242 } 13.370, -19.245, -52.902 
{ ca  pro b 243 } 10.364, -19.264, -50.551 
{ ca  gln b 244 } 9.821, -22.937, -51.410 
{ ca  asp b 245 } 12.984, -24.207, -49.684 
{ ca  tyr b 246 } 11.731, -23.032, -46.298 
{ ca  lys b 247 } 9.378, -24.446, -43.683 
{ ca  lys b 248 } 9.069, -20.889, -42.357 
{ ca  pro b 249 } 7.195, -17.890, -43.896 
{ ca  ile b 250 } 9.441, -15.760, -46.081 
{ ca  gln b 251 } 9.068, -12.490, -44.170 
{ ca  glu b 252 } 10.272, -14.291, -41.035 
{ ca  val b 253 } 13.139, -15.890, -42.929 
{ ca  leu b 254 } 14.017, -12.390, -44.135 
{ ca  lys b 255 } 13.824, -10.609, -40.773 
{ ca  glu b 256 } 16.141, -13.143, -39.130 
{ ca  met b 257 } 18.584, -12.646, -42.013 
{ ca  thr b 258 } 18.734, -8.869, -41.706 
{ ca  asp b 259 } 18.558, -8.203, -37.951 
{ ca  gly b 260 } 14.887, -7.278, -37.770 
{ ca  gly b 261 } 14.168, -6.612, -41.442 
{ ca  val b 262 } 15.227, -4.819, -44.625 
{ ca  asp b 263 } 15.263, -1.014, -45.065 
{ ca  phe b 264 } 13.571, -1.187, -48.484 
{ ca  ser b 265 } 11.474, -3.975, -49.941 
{ ca  phe b 266 } 9.758, -4.010, -53.353 
{ ca  glu b 267 } 6.936, -6.252, -54.454 
{ ca  val b 268 } 7.335, -6.673, -58.251 
{ ca  ile b 269 } 4.852, -9.500, -58.909 
{ ca  gly b 270 } 1.240, -8.499, -58.297 
{ ca  arg b 271 } -0.110, -10.898, -55.645 
{ ca  leu b 272 } -1.670, -9.923, -52.303 
{ ca  asp b 273 } 0.211, -12.594, -50.339 
{ ca  thr b 274 } 3.516, -11.236, -51.676 
{ ca  met b 275 } 2.574, -7.595, -51.062 
{ ca  met b 276 } 1.824, -8.623, -47.444 
{ ca  ala b 277 } 5.202, -10.388, -47.257 
{ ca  ser b 278 } 7.024, -7.267, -48.537 
{ ca  leu b 279 } 5.381, -4.935, -46.035 
{ ca  leu b 280 } 6.139, -7.412, -43.195 
{ ca  cys b 281 } 9.820, -8.009, -44.011 
{ ca  cys b 282 } 10.860, -4.375, -43.878 
{ ca  his b 283 } 11.971, -3.216, -40.413 
{ ca  glu b 284 } 8.985, -2.007, -38.342 
{ ca  ala b 285 } 10.724, 1.266, -37.388 
{ ca  cys b 286 } 12.587, 2.388, -40.502 
{ ca  gly b 287 } 11.548, 0.181, -43.411 
{ ca  thr b 288 } 9.819, 1.366, -46.602 
{ ca  ser b 289 } 7.809, -1.063, -48.718 
{ ca  val b 290 } 7.229, -0.137, -52.395 
{ ca  ile b 291 } 4.422, -1.859, -54.277 
{ ca  val b 292 } 5.265, -2.132, -58.003 
{ ca  gly b 293 } 3.191, -5.150, -59.022 
{ ca  val b 294 } -0.295, -4.599, -60.361 
{ ca  pro b 295 } -2.891, -6.316, -58.106 
{ ca  pro b 296 } -5.726, -8.468, -59.529 
{ ca  ala b 297 } -9.044, -6.629, -59.857 
{ ca  ser b 298 } -11.179, -6.172, -56.728 
{ ca  gln b 299 } -9.046, -7.906, -54.094 
{ ca  asn b 300 } -8.199, -6.466, -50.672 
{ ca  leu b 301 } -5.566, -6.846, -47.981 
{ ca  ser b 302 } -6.367, -6.985, -44.276 
{ ca  ile b 303 } -3.654, -5.098, -42.442 
{ ca  asn b 304 } -3.246, -4.128, -38.808 
{ ca  pro b 305 } -2.518, -0.341, -38.679 
{ ca  met b 306 } 0.023, -1.019, -35.926 
{ ca  leu b 307 } 2.375, -2.155, -38.700 
{ ca  leu b 308 } 2.677, 1.478, -39.841 
{ ca  leu b 309 } 2.406, 3.215, -36.468 
{ ca  thr b 310 } 5.916, 2.115, -35.476 
{ ca  gly b 311 } 7.493, 3.961, -38.383 
{ ca  arg b 312 } 6.940, 1.959, -41.597 
{ ca  thr b 313 } 6.380, 3.696, -44.925 
{ ca  trp b 314 } 4.146, 1.929, -47.453 
{ ca  lys b 315 } 3.976, 3.428, -50.935 
{ ca  gly b 316 } 3.491, 2.529, -54.565 
{ ca  ala b 317 } 3.981, 4.121, -57.969 
{ ca  val b 318 } 3.395, 3.683, -61.678 
{ ca  tyr b 319 } 6.296, 4.060, -64.152 
{ ca  gly b 320 } 8.951, 4.087, -61.431 
{ ca  gly b 321 } 8.193, 7.693, -60.527 
{ ca  phe b 322 } 9.461, 9.156, -63.817 
{ ca  lys b 323 } 7.498, 12.056, -65.313 
{ ca  ser b 324 } 7.101, 10.321, -68.701 
{ ca  lys b 325 } 7.879, 12.824, -71.447 
{ ca  glu b 326 } 11.036, 14.047, -69.663 
{ ca  gly b 327 } 12.342, 10.933, -67.927 
{ ca  ile b 328 } 12.300, 8.372, -70.756 
{ ca  pro b 329 } 14.475, 10.531, -73.060 
{ ca  lys b 330 } 17.120, 11.242, -70.397 
{ ca  leu b 331 } 17.134, 7.526, -69.653 
{ ca  val b 332 } 17.978, 6.625, -73.259 
{ ca  ala b 333 } 20.787, 9.199, -73.153 
{ ca  asp b 334 } 22.229, 7.473, -70.081 
{ ca  phe b 335 } 21.982, 4.181, -71.976 
{ ca  met b 336 } 23.835, 5.837, -74.873 
{ ca  ala b 337 } 26.419, 7.115, -72.390 
{ ca  lys b 338 } 26.825, 3.425, -71.490 
{ ca  lys b 339 } 25.502, 4.061, -67.962 
{ ca  phe b 340 } 23.699, 0.716, -67.978 
{ ca  ser b 341 } 22.751, -2.159, -70.268 
{ ca  leu b 342 } 19.470, -3.813, -71.268 
{ ca  asp b 343 } 21.019, -6.974, -72.688 
{ ca  ala b 344 } 20.504, -9.351, -69.756 
{ ca  leu b 345 } 16.791, -8.484, -69.779 
{ ca  ile b 346 } 16.069, -9.520, -73.375 
{ ca  thr b 347 } 16.035, -13.311, -73.553 
{ ca  his b 348 } 13.853, -13.965, -76.618 
{ ca  val b 349 } 13.248, -12.013, -79.822 
{ ca  leu b 350 } 10.282, -13.113, -81.923 
{ ca  pro b 351 } 8.671, -11.811, -85.116 
{ ca  phe b 352 } 5.463, -9.844, -84.376 
{ ca  glu b 353 } 3.292, -12.536, -85.975 
{ ca  lys b 354 } 4.347, -15.019, -83.284 
{ ca  ile b 355 } 3.092, -12.859, -80.399 
{ ca  asn b 356 } 0.994, -15.735, -79.000 
{ ca  glu b 357 } 4.220, -17.736, -78.653 
{ ca  gly b 358 } 5.753, -14.814, -76.756 
{ ca  phe b 359 } 2.977, -14.919, -74.167 
{ ca  asp b 360 } 3.503, -18.688, -73.806 
{ ca  leu b 361 } 7.151, -18.145, -72.884 
{ ca  leu b 362 } 6.072, -15.577, -70.263 
{ ca  his b 363 } 3.742, -18.149, -68.733 
{ ca  ser b 364 } 6.321, -20.932, -68.767 
{ ca  gly b 365 } 8.896, -18.742, -67.042 
{ ca  lys b 366 } 11.577, -19.230, -69.699 
{ ca  ser b 367 } 11.880, -15.583, -70.642 
{ ca  ile b 368 } 12.662, -12.440, -68.696 
{ ca  arg b 369 } 11.666, -10.127, -71.577 
{ ca  thr b 370 } 10.742, -11.128, -75.126 
{ ca  val b 371 } 10.977, -8.463, -77.836 
{ ca  leu b 372 } 8.535, -8.832, -80.733 
{ ca  thr b 373 } 10.017, -7.246, -83.830 
{ ca  phe b 374 } 8.404, -5.703, -86.902 
@subgroup {sidechain} dominant    
@vectorlist {sc} color= cyan      
{ ca  leu b 57 } P -7.067, -6.027, -65.378 
{ cb  leu b 57 } -5.723, -5.497, -65.883 
{ cg  leu b 57 } -5.459, -3.994, -65.925 
{ cd1 leu b 57 } -5.458, -3.470, -64.503 
{ cg  leu b 57 } P -5.459, -3.994, -65.925 
{ cd2 leu b 57 } -4.116, -3.711, -66.573 
{ ca  phe b 93 } P 1.722, 4.413, -71.129 
{ cb  phe b 93 } 1.809, 2.946, -70.654 
{ cg  phe b 93 } 2.586, 2.735, -69.369 
{ cd1 phe b 93 } 1.958, 2.862, -68.133 
{ ce1 phe b 93 } 2.659, 2.617, -66.946 
{ cz  phe b 93 } 4.001, 2.242, -66.992 
{ cg  phe b 93 } P 2.586, 2.735, -69.369 
{ cd2 phe b 93 } 3.929, 2.363, -69.402 
{ ce2 phe b 93 } 4.635, 2.113, -68.222 
{ cz  phe b 93 } 4.001, 2.242, -66.992 
{ ca  leu b 116 } P -5.592, 3.462, -66.072 
{ cb  leu b 116 } -4.228, 3.546, -65.388 
{ cg  leu b 116 } -4.002, 2.608, -64.191 
{ cd1 leu b 116 } -4.077, 1.159, -64.637 
{ cg  leu b 116 } P -4.002, 2.608, -64.191 
{ cd2 leu b 116 } -2.662, 2.896, -63.547 
{ ca  met b 306 } P 0.023, -1.019, -35.926 
{ cb  met b 306 } -0.075, -2.067, -34.821 
{ cg  met b 306 } -0.857, -1.628, -33.586 
{ sd  met b 306 } -0.192, -0.200, -32.668 
{ ce  met b 306 } 1.540, -0.527, -32.668 
{ ca  leu b 308 } P 2.677, 1.478, -39.841 
{ cb  leu b 308 } 1.702, 2.143, -40.810 
{ cg  leu b 308 } 1.344, 1.320, -42.054 
{ cd1 leu b 308 } 0.392, 2.113, -42.905 
{ cg  leu b 308 } P 1.344, 1.320, -42.054 
{ cd2 leu b 308 } 2.589, 0.999, -42.851 
@group {cofactors}      
@subgroup {zinc ion} dominant    
@vectorlist {} color= magenta      
{Zn    zn 1 375 } P 17.762, 2.520, -29.116 
{Zn    zn 1 375 } 17.762, 2.520, -29.116 
{Zn    zn 1 375 } P U 16.762, 2.520, -29.116 
{Zn    zn 1 375 } U 18.762, 2.520, -29.116 
{Zn    zn 1 375 } P U 17.762, 1.520, -29.116 
{Zn    zn 1 375 } U 17.762, 3.520, -29.116 
{Zn    zn 1 375 } P U 17.762, 2.520, -30.116 
{Zn    zn 1 375 } U 17.762, 2.520, -28.116 
{Zn    zn 1 376 } P 0.498, 10.089, -25.216 
{Zn    zn 1 376 } 0.498, 10.089, -25.216 
{Zn    zn 1 376 } P U -0.502, 10.089, -25.216 
{Zn    zn 1 376 } U 1.498, 10.089, -25.216 
{Zn    zn 1 376 } P U 0.498, 9.089, -25.216 
{Zn    zn 1 376 } U 0.498, 11.089, -25.216 
{Zn    zn 1 376 } P U 0.498, 10.089, -26.216 
{Zn    zn 1 376 } U 0.498, 10.089, -24.216 
@subgroup {NAD} dominant    
@vectorlist {} color= pink      
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ap   nad 1 377 } -8.673, 13.173, -27.698 
{ao1  nad 1 377 } -9.634, 12.222, -27.205 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ao2  nad 1 377 } -8.628, 14.317, -26.790 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ao5* nad 1 377 } -9.273, 13.654, -29.135 
{ac5* nad 1 377 } -9.785, 12.760, -30.127 
{ac4* nad 1 377 } -10.627, 13.746, -30.930 
{ao4* nad 1 377 } -11.152, 13.043, -32.047 
{ac4* nad 1 377 } P -10.627, 13.746, -30.930 
{ac3* nad 1 377 } -11.806, 14.286, -30.075 
{ao3* nad 1 377 } -11.936, 15.699, -30.255 
{ac3* nad 1 377 } P -11.806, 14.286, -30.075 
{ac2* nad 1 377 } -13.025, 13.617, -30.687 
{ao2* nad 1 377 } -14.118, 14.557, -30.682 
{ao4* nad 1 377 } P -11.152, 13.043, -32.047 
{ac1* nad 1 377 } -12.529, 13.397, -32.125 
{an9  nad 1 377 } -13.248, 12.304, -32.731 
{ac8  nad 1 377 } -13.587, 11.079, -32.166 
{an7  nad 1 377 } -14.278, 10.268, -33.060 
{ac5  nad 1 377 } -14.343, 11.047, -34.190 
{ac6  nad 1 377 } -14.914, 10.719, -35.395 
{an6  nad 1 377 } -15.509, 9.524, -35.582 
{ac6  nad 1 377 } P -14.914, 10.719, -35.395 
{an1  nad 1 377 } -14.842, 11.658, -36.383 
{ac2  nad 1 377 } -14.226, 12.879, -36.176 
{an3  nad 1 377 } -13.648, 13.222, -34.965 
{an9  nad 1 377 } P -13.248, 12.304, -32.731 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ o3  nad 1 377 } -7.329, 12.415, -27.871 
{np   nad 1 377 } -5.780, 12.760, -28.026 
{no1  nad 1 377 } -5.118, 12.723, -26.675 
{np   nad 1 377 } P -5.780, 12.760, -28.026 
{no2  nad 1 377 } -5.509, 14.044, -28.705 
{np   nad 1 377 } P -5.780, 12.760, -28.026 
{no5* nad 1 377 } -5.125, 11.635, -28.873 
{nc5* nad 1 377 } -5.721, 11.264, -30.148 
{nc4* nad 1 377 } -5.125, 9.939, -30.619 
{no4* nad 1 377 } -3.729, 10.051, -30.693 
{nc4* nad 1 377 } P -5.125, 9.939, -30.619 
{nc3* nad 1 377 } -5.364, 8.821, -29.592 
{no3* nad 1 377 } -5.740, 7.627, -30.282 
{nc3* nad 1 377 } P -5.364, 8.821, -29.592 
{nc2* nad 1 377 } -3.948, 8.636, -29.013 
{no2* nad 1 377 } -3.794, 7.277, -28.592 
{no4* nad 1 377 } P -3.729, 10.051, -30.693 
{nc1* nad 1 377 } -3.034, 8.896, -30.222 
{nn1  nad 1 377 } -1.671, 9.275, -29.807 
{nc2  nad 1 377 } -0.685, 8.844, -30.498 
{nc3  nad 1 377 } 0.583, 9.086, -30.107 
{nc7  nad 1 377 } 1.650, 8.632, -30.856 
{no7  nad 1 377 } 2.821, 8.896, -30.491 
{nc7  nad 1 377 } P 1.650, 8.632, -30.856 
{nn7  nad 1 377 } 1.496, 8.137, -32.073 
{nc3  nad 1 377 } P 0.583, 9.086, -30.107 
{nc4  nad 1 377 } 0.848, 9.792, -28.958 
{nc5  nad 1 377 } -0.148, 10.260, -28.213 
{nn1  nad 1 377 } P -1.671, 9.275, -29.807 
{nc6  nad 1 377 } -1.432, 9.990, -28.668 
{ac2* nad 1 377 } P -13.025, 13.617, -30.687 
{ac1* nad 1 377 } -12.529, 13.397, -32.125 
{ac5  nad 1 377 } P -14.343, 11.047, -34.190 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{an3  nad 1 377 } P -13.648, 13.222, -34.965 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{nc2* nad 1 377 } P -3.948, 8.636, -29.013 
{nc1* nad 1 377 } -3.034, 8.896, -30.222 
{nc5  nad 1 377 } P -0.148, 10.260, -28.213 
{nc6  nad 1 377 } -1.432, 9.990, -28.668 
@subgroup {pyrazole} dominant    off 
@vectorlist {} color= yellow      
{ n1  pyz 1 378 } P 1.016, 8.468, -26.481 
{ n1  pyz 1 378 } 1.016, 8.468, -26.481 
{ n2  pyz 1 378 } 1.189, 8.440, -27.847 
{ c3  pyz 1 378 } 1.603, 7.187, -28.218 
{ c4  pyz 1 378 } 1.646, 6.540, -27.038 
{ n1  pyz 1 378 } P 1.016, 8.468, -26.481 
{ c5  pyz 1 378 } 1.313, 7.261, -25.931 
{ c4  pyz 1 378 } P 1.646, 6.540, -27.038 
{ c5  pyz 1 378 } 1.313, 7.261, -25.931 
@subgroup {substrate} dominant    
@vectorlist {} color= blue      
{ i4  pyz 1 378 } P 2.094, 4.386, -27.041 
{ i4  pyz 1 378 } 2.094, 4.386, -27.041 

@kinemage 3 
@caption
A summary of important inteactions bewteen NAD and the substrate pocket of

alcohol dehydrogenase.
@onewidth 
@zoom 3.45 
@zslab 200 
@center -5.626 10.586 -38.561 
@matrix 
0.172611 0.827097 -0.534898 -0.965049 0.250726 0.076270 0.197195 0.503039 0.841467 
@group {subunit 1}      
@subgroup {mainchain} dominant    
@vectorlist {ca-ca} color= bluetint      
{ ca  ser a 1 } P 16.318, 13.369, 2.512 
{ ca  ser a 1 } 16.318, 13.369, 2.512 
{ ca  thr a 2 } 14.857, 10.240, 0.912 
{ ca  ala a 3 } 17.725, 9.115, -1.312 
{ ca  gly a 4 } 18.596, 5.462, -0.925 
{ ca  lys a 5 } 15.340, 4.890, 0.925 
{ ca  val a 6 } 12.040, 3.397, -0.166 
{ ca  ile a 7 } 9.597, 6.291, -0.590 
{ ca  lys a 8 } 5.955, 5.888, 0.358 
{ ca  cys a 9 } 3.537, 8.083, -1.586 
{ ca  lys a 10 } 0.181, 8.271, -3.337 
{ ca  ala a 11 } -0.352, 7.000, -6.903 
{ ca  ala a 12 } -3.370, 6.255, -9.070 
{ ca  val a 13 } -3.626, 2.477, -9.560 
{ ca  leu a 14 } -5.718, 0.761, -12.245 
{ ca  trp a 15 } -6.470, -2.693, -10.801 
{ ca  glu a 16 } -8.927, -3.677, -13.497 
{ ca  val a 17 } -9.958, -2.476, -16.962 
{ ca  lys a 18 } -12.992, -0.188, -17.282 
{ ca  lys a 19 } -12.779, 0.784, -13.601 
{ ca  pro a 20 } -12.013, 4.143, -11.943 
{ ca  phe a 21 } -8.499, 4.898, -10.790 
{ ca  ser a 22 } -7.899, 4.133, -7.124 
{ ca  ile a 23 } -5.604, 6.584, -5.328 
{ ca  glu a 24 } -3.458, 4.439, -3.037 
{ ca  asp a 25 } -0.264, 4.530, -0.999 
{ ca  val a 26 } 2.534, 2.741, -2.746 
{ ca  glu a 27 } 6.177, 2.153, -2.028 
{ ca  val a 28 } 8.676, 3.359, -4.629 
{ ca  ala a 29 } 11.963, 1.487, -4.456 
{ ca  pro a 30 } 15.089, 3.603, -4.839 
{ ca  pro a 31 } 16.705, 3.759, -8.327 
{ ca  lys a 32 } 19.200, 1.165, -9.529 
{ ca  ala a 33 } 22.203, 1.858, -11.738 
{ ca  tyr a 34 } 21.247, 4.067, -14.690 
{ ca  glu a 35 } 17.797, 4.816, -13.209 
{ ca  val a 36 } 16.378, 8.127, -12.049 
{ ca  arg a 37 } 13.709, 8.584, -9.373 
{ ca  ile a 38 } 11.620, 11.627, -10.107 
{ ca  lys a 39 } 9.258, 13.771, -8.095 
{ ca  met a 40 } 6.279, 14.644, -10.286 
{ ca  val a 41 } 5.101, 18.251, -10.662 
{ ca  ala a 42 } 2.530, 18.092, -13.510 
{ ca  val a 43 } 1.053, 15.351, -15.727 
{ ca  gly a 44 } -1.115, 15.661, -18.817 
{ ca  ile a 45 } -3.952, 13.237, -19.552 
{ ca  cys a 46 } -3.481, 11.666, -23.048 
{ ca  arg a 47 } -6.045, 9.375, -24.747 
{ ca  thr a 48 } -3.399, 6.597, -24.766 
{ ca  his a 51 } P -6.898, 3.358, -24.129 
{ ca  val a 52 } -5.659, 1.002, -21.421 
{ ca  val a 53 } -8.611, 1.758, -19.123 
{ ca  ser a 54 } -11.144, 1.235, -21.929 
{ ca  gly a 55 } -9.347, -1.939, -22.995 
{ ca  asn a 56 } -8.268, -0.857, -26.519 
{ ca  leu a 57 } -4.564, -1.156, -25.635 
{ ca  val a 58 } -3.478, -4.262, -23.761 
{ ca  thr a 59 } -0.844, -3.927, -21.074 
{ ca  pro a 60 } -0.374, -5.983, -17.879 
{ ca  leu a 61 } -2.481, -4.952, -14.861 
{ ca  pro a 62 } -2.651, -3.774, -12.107 
{ ca  val a 63 } -0.710, -0.765, -13.402 
{ ca  ile a 64 } 0.364, 2.816, -12.857 
{ ca  leu a 65 } -0.245, 4.739, -16.093 
{ ca  gly a 66 } 0.675, 8.294, -17.084 
{ ca  his a 67 } 3.389, 9.407, -19.504 
{ ca  glu a 68 } 3.051, 13.060, -20.503 
{ ca  ala a 69 } 4.784, 14.696, -17.556 
{ ca  ala a 70 } 7.315, 17.037, -16.041 
{ ca  gly a 71 } 9.010, 16.822, -12.657 
{ ca  ile a 72 } 12.228, 17.190, -10.671 
{ ca  val a 73 } 14.997, 14.621, -10.159 
{ ca  glu a 74 } 14.868, 13.393, -6.550 
{ ca  ser a 75 } 17.935, 11.133, -6.866 
{ ca  val a 76 } 19.986, 9.215, -9.452 
{ ca  gly a 77 } 21.290, 5.649, -9.396 
{ ca  glu a 78 } 24.892, 4.510, -9.883 
{ ca  gly a 79 } 26.279, 5.277, -13.331 
{ ca  val a 80 } 23.870, 8.104, -14.147 
{ ca  thr a 81 } 25.663, 11.036, -15.831 
{ ca  thr a 82 } 22.979, 12.937, -17.766 
{ ca  val a 83 } 21.055, 14.386, -14.821 
{ ca  lys a 84 } 21.525, 15.338, -11.186 
{ ca  pro a 85 } 19.114, 15.803, -8.260 
{ ca  gly a 86 } 17.228, 19.071, -8.593 
{ ca  asp a 87 } 17.126, 19.007, -12.411 
{ ca  lys a 88 } 13.877, 19.653, -14.253 
{ ca  val a 89 } 13.147, 16.725, -16.543 
{ ca  ile a 90 } 10.560, 15.164, -18.819 
{ ca  pro a 91 } 10.186, 11.371, -18.901 
{ ca  leu a 92 } 9.944, 9.922, -22.447 
{ ca  phe a 93 } 7.404, 7.234, -23.357 
{ ca  thr a 94 } 9.858, 6.007, -26.000 
{ ca  pro a 95 } 13.516, 5.879, -24.997 
{ ca  gln a 96 } 16.636, 6.800, -26.913 
{ ca  cys a 97 } 19.132, 4.132, -25.824 
{ ca  gly a 98 } 21.456, 5.425, -28.531 
{ ca  lys a 99 } 22.962, 2.019, -29.267 
{ ca  cys a 100 } 20.344, 0.136, -31.221 
{ ca  arg a 101 } 19.898, -0.038, -35.002 
{ ca  val a 102 } 17.008, 2.418, -34.717 
{ ca  cys a 103 } 18.840, 4.974, -32.577 
{ ca  lys a 104 } 21.816, 4.946, -34.951 
{ ca  asn a 105 } 19.503, 5.409, -37.946 
{ ca  pro a 106 } 19.086, 9.219, -38.171 
{ ca  glu a 107 } 15.572, 8.906, -39.631 
{ ca  ser a 108 } 13.885, 6.556, -37.139 
{ ca  asn a 109 } 13.057, 7.105, -33.458 
{ ca  tyr a 110 } 11.210, 3.965, -32.311 
{ ca  cys a 111 } 13.995, 2.752, -30.002 
{ ca  leu a 112 } 14.199, -1.018, -29.387 
{ ca  lys a 113 } 14.086, -0.581, -25.576 
{ ca  asn a 114 } 10.422, 0.501, -25.834 
{ ca  asp a 115 } 7.589, -1.271, -24.006 
{ ca  leu a 116 } 4.932, -0.671, -26.674 
{ ca  gly a 117 } 5.719, -3.542, -29.017 
{ ca  asn a 118 } 5.021, -6.250, -26.451 
{ ca  pro a 119 } 4.503, -4.608, -23.027 
{ ca  arg a 120 } 6.298, -6.350, -20.167 
{ ca  gly a 121 } 5.085, -3.612, -17.828 
{ ca  thr a 122 } 8.561, -3.198, -16.343 
{ ca  leu a 123 } 11.677, -1.054, -16.449 
{ ca  gln a 124 } 14.475, -1.969, -18.856 
{ ca  asp a 125 } 16.115, -4.514, -16.573 
{ ca  gly a 126 } 12.894, -6.514, -16.337 
{ ca  thr a 127 } 11.730, -5.554, -12.839 
{ ca  arg a 128 } 9.259, -3.162, -11.138 
{ ca  arg a 129 } 9.783, -0.513, -8.429 
{ ca  phe a 130 } 6.222, -0.176, -7.169 
{ ca  thr a 131 } 4.558, -2.237, -4.462 
{ ca  cys a 132 } 1.016, -1.808, -3.142 
{ ca  arg a 133 } -0.028, -3.964, -0.201 
{ ca  gly a 134 } 2.703, -6.492, -0.915 
{ ca  lys a 135 } 1.588, -6.811, -4.544 
{ ca  pro a 136 } 4.171, -5.561, -7.064 
{ ca  ile a 137 } 2.695, -3.011, -9.478 
{ ca  his a 138 } 3.423, -2.752, -13.214 
{ ca  his a 139 } 5.008, 0.199, -14.990 
{ ca  phe a 140 } 3.583, 1.791, -18.179 
{ ca  leu a 141 } 5.776, 2.679, -21.143 
{ ca  gly a 142 } 8.629, 2.689, -18.644 
{ ca  thr a 143 } 7.375, 6.021, -17.295 
{ ca  ser a 144 } 4.324, 5.543, -15.011 
{ ca  thr a 145 } 3.751, 9.195, -14.087 
{ ca  phe a 146 } 0.343, 9.040, -12.320 
{ ca  ser a 147 } 2.341, 8.810, -9.097 
{ ca  gln a 148 } 3.956, 11.337, -6.780 
{ ca  tyr a 149 } 7.313, 9.686, -7.397 
{ ca  thr a 150 } 8.372, 7.367, -10.204 
{ ca  val a 151 } 11.604, 5.711, -11.360 
{ ca  val a 152 } 12.643, 5.684, -15.044 
{ ca  asp a 153 } 15.655, 4.448, -16.971 
{ ca  glu a 154 } 18.279, 7.090, -17.665 
{ ca  asn a 155 } 17.816, 6.755, -21.434 
{ ca  ala a 156 } 14.113, 7.609, -20.999 
{ ca  val a 157 } 14.531, 10.935, -19.195 
{ ca  ala a 158 } 15.388, 14.296, -20.775 
{ ca  lys a 159 } 16.899, 17.225, -18.900 
{ ca  ile a 160 } 15.132, 20.480, -19.690 
{ ca  asp a 161 } 15.527, 24.202, -19.064 
{ ca  ala a 162 } 15.946, 24.963, -15.348 
{ ca  ala a 163 } 13.480, 27.842, -15.755 
{ ca  ser a 164 } 10.795, 25.874, -17.637 
{ ca  pro a 165 } 7.213, 26.207, -16.290 
{ ca  leu a 166 } 6.525, 22.511, -15.552 
{ ca  glu a 167 } 2.738, 22.882, -15.661 
{ ca  lys a 168 } 3.007, 23.906, -19.308 
{ ca  val a 169 } 5.942, 22.010, -20.789 
{ ca  cys a 170 } 4.525, 18.663, -19.644 
{ ca  leu a 171 } 2.524, 18.623, -22.897 
{ ca  ile a 172 } 5.847, 18.495, -24.705 
{ ca  gly a 173 } 6.427, 15.120, -23.073 
{ ca  cys a 174 } 3.894, 13.629, -25.519 
{ ca  gly a 175 } 0.790, 15.393, -26.824 
{ ca  phe a 176 } 2.456, 18.393, -28.413 
{ ca  ser a 177 } 5.606, 16.666, -29.661 
{ ca  thr a 178 } 3.500, 13.981, -31.312 
{ ca  gly a 179 } 1.058, 16.357, -32.981 
{ ca  tyr a 180 } 3.560, 18.999, -34.120 
{ ca  gly a 181 } 6.226, 16.522, -35.203 
{ ca  ser a 182 } 3.806, 14.438, -37.192 
{ ca  ala a 183 } 3.352, 17.386, -39.564 
{ ca  val a 184 } 6.867, 18.867, -39.436 
{ ca  asn a 185 } 8.943, 15.644, -39.220 
{ ca  val a 186 } 6.947, 12.654, -40.409 
{ ca  ala a 187 } 4.680, 13.992, -43.176 
{ ca  lys a 188 } 7.103, 16.823, -43.924 
{ ca  val a 189 } 4.277, 19.237, -44.863 
{ ca  thr a 190 } 5.366, 21.445, -47.792 
{ ca  pro a 191 } 4.576, 25.172, -47.886 
{ ca  gly a 192 } 1.523, 26.036, -49.980 
{ ca  ser a 193 } 0.066, 22.545, -49.514 
{ ca  thr a 194 } -3.429, 21.461, -48.472 
{ ca  cys a 195 } -3.881, 19.559, -45.196 
{ ca  ala a 196 } -6.706, 17.597, -43.542 
{ ca  val a 197 } -6.465, 16.746, -39.803 
{ ca  leu a 200 } P -9.075, 17.896, -32.618 
{ ca  gly a 201 } -7.845, 16.759, -29.206 
{ ca  gly a 202 } -4.575, 17.984, -27.716 
{ ca  val a 203 } -2.603, 15.869, -30.193 
{ ca  gly a 204 } -4.679, 16.773, -33.268 
{ ca  leu a 205 } -4.546, 20.510, -32.460 
{ ca  ser a 206 } -0.768, 20.232, -32.227 
{ ca  ala a 207 } -0.859, 18.651, -35.695 
{ ca  val a 208 } -2.778, 21.752, -36.850 
{ ca  met a 209 } -0.181, 24.080, -35.331 
{ ca  gly a 210 } 2.523, 22.056, -37.011 
{ ca  cys a 211 } 0.845, 22.317, -40.432 
{ ca  lys a 212 } 0.635, 26.090, -39.967 
{ ca  ala a 213 } 4.324, 26.296, -39.000 
{ ca  ala a 214 } 5.136, 24.275, -42.115 
{ ca  gly a 215 } 3.283, 26.830, -44.216 
{ ca  ala a 216 } 0.340, 24.836, -45.516 
{ ca  ala a 217 } -2.062, 27.120, -47.429 
{ ca  arg a 218 } -5.145, 25.245, -46.250 
{ ca  ile a 219 } -5.819, 23.213, -43.130 
{ ca  val a 222 } P -12.409, 17.473, -38.991 
{ ca  asp a 223 } -14.179, 16.456, -35.777 
{ ca  ile a 224 } -17.689, 15.481, -34.744 
{ ca  asn a 225 } -17.445, 17.919, -31.816 
{ ca  lys a 226 } -18.107, 21.456, -33.076 
{ ca  asp a 227 } -16.965, 22.993, -29.788 
{ ca  lys a 228 } -13.387, 22.198, -30.899 
{ ca  phe a 229 } -13.708, 24.355, -34.052 
{ ca  ala a 230 } -13.168, 27.660, -32.224 
{ ca  lys a 231 } -9.749, 26.500, -31.044 
{ ca  ala a 232 } -8.677, 24.852, -34.329 
{ ca  lys a 233 } -9.433, 28.161, -36.066 
{ ca  glu a 234 } -7.465, 30.116, -33.481 
{ ca  leu a 235 } -4.595, 27.645, -33.977 
{ ca  gly a 236 } -4.375, 27.767, -37.766 
{ ca  ala a 237 } -7.223, 25.883, -39.389 
{ ca  thr a 238 } -8.539, 27.630, -42.487 
{ ca  glu a 239 } -11.828, 25.722, -42.185 
{ ca  cys a 240 } -13.541, 23.109, -40.033 
{ ca  ile a 241 } -16.150, 20.571, -41.002 
{ ca  asn a 242 } -18.340, 18.124, -39.132 
{ ca  pro a 243 } -18.904, 14.781, -40.952 
{ ca  gln a 244 } -22.357, 14.608, -39.373 
{ ca  asp a 245 } -23.590, 17.626, -41.354 
{ ca  tyr a 246 } -23.181, 15.744, -44.632 
{ ca  lys a 247 } -25.143, 13.245, -46.723 
{ ca  lys a 248 } -22.112, 11.749, -48.473 
{ ca  pro a 249 } -18.982, 10.157, -46.937 
{ ca  ile a 250 } -16.478, 12.602, -45.489 
{ ca  gln a 251 } -13.803, 11.450, -47.979 
{ ca  glu a 252 } -15.986, 12.449, -50.953 
{ ca  val a 253 } -16.610, 15.885, -49.438 
{ ca  leu a 254 } -12.937, 16.513, -48.843 
{ ca  lys a 255 } -12.010, 15.438, -52.358 
{ ca  glu a 256 } -14.627, 17.792, -53.854 
{ ca  met a 257 } -13.394, 20.788, -51.824 
{ ca  thr a 258 } -9.744, 20.262, -52.761 
{ ca  asp a 259 } -9.583, 19.434, -56.472 
{ ca  gly a 260 } -9.257, 15.693, -56.008 
{ ca  gly a 261 } -7.906, 15.425, -52.449 
{ ca  val a 262 } -5.502, 16.981, -49.931 
{ ca  asp a 263 } -1.726, 16.686, -50.119 
{ ca  phe a 264 } -1.356, 15.690, -46.406 
{ ca  phe a 266 } P -3.620, 13.057, -40.604 
{ ca  glu a 267 } -5.626, 10.586, -38.561 
{ ca  val a 268 } -5.259, 11.621, -34.881 
{ ca  ile a 269 } -8.266, 9.817, -33.314 
{ ca  gly a 270 } -7.605, 6.063, -33.347 
{ ca  arg a 271 } -10.488, 4.576, -35.292 
{ ca  thr a 274 } P -11.386, 7.375, -39.921 
{ ca  met a 275 } -7.954, 5.952, -40.817 
{ ca  cys a 281 } P -9.147, 11.842, -48.811 
{ ca  cys a 282 } -5.544, 12.461, -49.813 
{ ca  glu a 284 } P -4.458, 9.467, -55.231 
{ ca  ala a 285 } -1.324, 10.550, -57.012 
{ ca  cys a 286 } 0.455, 12.886, -54.633 
{ ca  gly a 287 } -1.147, 12.526, -51.235 
{ ca  thr a 288 } 0.432, 11.364, -47.995 
{ ca  ser a 289 } -1.719, 9.918, -45.230 
{ ca  val a 290 } -0.152, 9.828, -41.765 
{ ca  val a 294 } P -3.431, 4.362, -31.740 
{ ca  pro a 295 } -5.858, 1.794, -33.217 
{ ca  pro a 296 } -7.915, -0.563, -30.992 
{ ca  ala a 297 } -6.139, -3.876, -30.413 
{ ca  ser a 298 } -6.290, -6.633, -33.026 
{ ca  gln a 299 } -8.553, -4.659, -35.393 
{ ca  asn a 300 } -7.696, -4.894, -39.114 
{ ca  leu a 301 } -8.212, -2.512, -42.044 
{ ca  ser a 302 } -9.189, -3.917, -45.435 
{ ca  ile a 303 } -7.633, -1.961, -48.283 
{ ca  asn a 304 } -7.420, -2.207, -52.063 
{ ca  pro a 305 } -3.689, -2.046, -52.865 
{ ca  met a 306 } -4.584, -0.034, -56.018 
{ ca  leu a 307 } -5.221, 2.858, -53.633 
{ ca  leu a 308 } -1.440, 3.016, -53.239 
{ ca  leu a 309 } -0.150, 2.181, -56.748 
{ ca  thr a 310 } -1.284, 5.529, -58.109 
{ ca  gly a 311 } 1.286, 7.352, -55.997 
{ ca  arg a 312 } -0.101, 7.560, -52.460 
{ ca  thr a 313 } 2.170, 7.338, -49.411 
{ ca  trp a 314 } 0.952, 5.685, -46.207 
{ ca  ala a 317 } P 4.892, 7.320, -36.403 
{ ca  val a 318 } 5.341, 7.589, -32.644 
{ ca  tyr a 319 } 6.331, 10.777, -30.764 
{ ca  gly a 320 } 6.023, 12.601, -34.057 
{ ca  gly a 321 } 9.317, 11.212, -35.334 
{ ca  phe a 322 } 11.333, 12.951, -32.638 
{ ca  lys a 323 } 14.285, 11.065, -31.176 
{ ca  ser a 324 } 13.131, 11.481, -27.554 
{ ca  lys a 325 } 16.198, 12.469, -25.526 
{ ca  glu a 326 } 17.589, 14.839, -28.175 
{ ca  gly a 327 } 14.358, 16.346, -29.448 
{ ca  ile a 328 } 12.478, 17.130, -26.235 
{ ca  pro a 329 } 15.089, 19.556, -24.787 
{ ca  lys a 330 } 15.301, 21.461, -28.109 
{ ca  leu a 331 } 11.519, 21.751, -28.309 
{ ca  val a 332 } 11.433, 23.081, -24.717 
{ ca  ala a 333 } 13.957, 25.740, -25.758 
{ ca  asp a 334 } 11.704, 26.726, -28.696 
{ ca  phe a 335 } 8.825, 27.081, -26.244 
{ ca  met a 336 } 10.976, 29.274, -24.029 
{ ca  ala a 337 } 11.769, 31.463, -27.041 
{ ca  lys a 338 } 8.038, 32.034, -27.573 
{ ca  lys a 339 } 8.329, 30.121, -30.850 
{ ca  phe a 340 } 4.936, 28.575, -30.035 
{ ca  ser a 341 } 2.412, 28.659, -27.176 
{ ca  leu a 342 } 0.753, 25.797, -25.231 
{ ca  asp a 343 } -1.909, 27.826, -23.446 
{ ca  ala a 344 } -4.777, 27.060, -25.794 
{ ca  leu a 345 } -4.357, 23.313, -25.393 
{ ca  ile a 346 } -4.499, 23.356, -21.593 
{ ca  thr a 347 } -8.154, 23.757, -20.775 
{ ca  his a 348 } -8.324, 22.340, -17.231 
{ ca  val a 349 } -6.041, 22.136, -14.219 
{ ca  leu a 350 } -6.994, 19.815, -11.366 
{ ca  pro a 351 } -5.081, 18.475, -8.387 
{ ca  phe a 352 } -3.755, 14.921, -8.924 
{ ca  glu a 353 } -6.397, 13.490, -6.593 
{ ca  lys a 354 } -9.101, 14.476, -9.065 
{ ca  glu a 357 } P -12.684, 13.815, -12.869 
{ ca  gly a 358 } -9.998, 14.450, -15.471 
{ ca  phe a 359 } -10.751, 11.296, -17.435 
{ ca  his a 363 } P -14.884, 11.350, -22.143 
{ ca  ser a 364 } -17.451, 14.161, -22.203 
{ ca  lys a 366 } P -15.369, 19.139, -22.620 
{ ca  ser a 367 } -11.607, 19.283, -22.388 
{ ca  ile a 368 } -8.688, 19.294, -24.763 
{ ca  arg a 369 } -5.802, 18.709, -22.352 
{ ca  thr a 370 } -6.357, 18.532, -18.585 
{ ca  val a 371 } -3.172, 18.933, -16.516 
{ ca  leu a 372 } -2.946, 17.400, -13.010 
{ ca  thr a 373 } -0.837, 19.099, -10.359 
{ ca  phe a 374 } 0.931, 17.479, -7.415 
@subgroup {sidechain} dominant    
@vectorlist {sc} color= cyan      
{ ca  arg a 47 } P -6.045, 9.375, -24.747 
{ cb  arg a 47 } -6.717, 9.605, -26.108 
{ cg  arg a 47 } -7.686, 8.519, -26.580 
{ cd  arg a 47 } -8.988, 8.457, -25.781 
{ ne  arg a 47 } -9.774, 9.690, -25.859 
{ cz  arg a 47 } -11.012, 9.828, -25.380 
{ nh1 arg a 47 } -11.616, 8.819, -24.781 
{ cz  arg a 47 } P -11.012, 9.828, -25.380 
{ nh2 arg a 47 } -11.665, 10.970, -25.532 
{ ca  thr a 48 } P -3.399, 6.597, -24.766 
{ cb  thr a 48 } -1.931, 6.683, -25.149 
{ cg2 thr a 48 } -1.312, 5.280, -25.201 
{ cb  thr a 48 } P -1.931, 6.683, -25.149 
{ og1 thr a 48 } -1.830, 7.284, -26.443 
{ ca  his a 51 } P -6.898, 3.358, -24.129 
{ cb  his a 51 } -5.971, 3.447, -25.340 
{ cg  his a 51 } -6.529, 4.278, -26.452 
{ nd1 his a 51 } -7.876, 4.514, -26.595 
{ cg  his a 51 } P -6.529, 4.278, -26.452 
{ cd2 his a 51 } -5.921, 4.927, -27.476 
{ ne2 his a 51 } -6.915, 5.539, -28.205 
{ ce1 his a 51 } -8.082, 5.275, -27.657 
{ nd1 his a 51 } P -7.876, 4.514, -26.595 
{ ce1 his a 51 } -8.082, 5.275, -27.657 
{ ne2 his a 51 } -6.915, 5.539, -28.205 
{ ce1 his a 51 } -8.082, 5.275, -27.657 
{ ca  val a 203 } P -2.603, 15.869, -30.193 
{ cb  val a 203 } -2.511, 14.314, -30.189 
{ cg1 val a 203 } -1.534, 13.840, -31.246 
{ cb  val a 203 } P -2.511, 14.314, -30.189 
{ cg2 val a 203 } -2.017, 13.824, -28.822 
{ ca  asp a 223 } P -14.179, 16.456, -35.777 
{ cb  asp a 223 } -13.592, 17.359, -34.695 
{ cg  asp a 223 } -13.477, 16.663, -33.332 
{ od1 asp a 223 } -14.498, 16.233, -32.771 
{ cg  asp a 223 } P -13.477, 16.663, -33.332 
{ od2 asp a 223 } -12.348, 16.563, -32.818 
{ ca  ile a 224 } P -17.689, 15.481, -34.744 
{ cb  ile a 224 } -18.157, 14.037, -34.472 
{ cg1 ile a 224 } -17.479, 13.477, -33.217 
{ cd1 ile a 224 } -18.040, 12.145, -32.787 
{ cb  ile a 224 } P -18.157, 14.037, -34.472 
{ cg2 ile a 224 } -17.856, 13.152, -35.674 
{ ca  lys a 228 } P -13.387, 22.198, -30.899 
{ cb  lys a 228 } -12.953, 20.776, -31.278 
{ cg  lys a 228 } -13.163, 19.722, -30.194 
{ cd  lys a 228 } -12.217, 19.930, -29.016 
{ ce  lys a 228 } -12.352, 18.818, -27.972 
{ nz  lys a 228 } -11.587, 17.593, -28.304 
{ ca  ile a 269 } P -8.266, 9.817, -33.314 
{ cb  ile a 269 } -9.568, 9.799, -34.161 
{ cg1 ile a 269 } -9.862, 11.178, -34.755 
{ cd1 ile a 269 } -10.913, 11.132, -35.840 
{ cb  ile a 269 } P -9.568, 9.799, -34.161 
{ cg2 ile a 269 } -10.745, 9.280, -33.343 
{ ca  arg a 271 } P -10.488, 4.576, -35.292 
{ cb  arg a 271 } -11.799, 5.345, -35.266 
{ cg  arg a 271 } -12.335, 5.625, -33.885 
{ cd  arg a 271 } -13.477, 6.612, -33.968 
{ ne  arg a 271 } -14.470, 6.194, -34.950 
{ cz  arg a 271 } -15.602, 5.562, -34.651 
{ nh1 arg a 271 } -15.891, 5.272, -33.384 
{ cz  arg a 271 } P -15.602, 5.562, -34.651 
{ nh2 arg a 271 } -16.453, 5.228, -35.616 
{ ca  thr a 274 } P -11.386, 7.375, -39.921 
{ cb  thr a 274 } -11.352, 8.322, -38.675 
{ cg2 thr a 274 } -12.752, 8.818, -38.369 
{ cb  thr a 274 } P -11.352, 8.322, -38.675 
{ og1 thr a 274 } -10.817, 7.631, -37.534 
{ ca  val a 294 } P -3.431, 4.362, -31.740 
{ cb  val a 294 } -3.071, 4.277, -30.245 
{ cg1 val a 294 } -2.939, 2.824, -29.841 
{ cb  val a 294 } P -3.071, 4.277, -30.245 
{ cg2 val a 294 } -1.774, 5.040, -29.950 
@group {subunit 2}    off  
@subgroup {mainchain} dominant    
@vectorlist {ca-ca} color= yellowtint      
{ ca  ser b 1 } P 2.079, 8.560, -99.633 
{ ca  ser b 1 } 2.079, 8.560, -99.633 
{ ca  thr b 2 } 0.419, 7.266, -96.439 
{ ca  ala b 3 } 0.108, 10.627, -94.677 
{ ca  gly b 4 } -3.463, 11.832, -94.280 
{ ca  lys b 5 } -4.493, 8.439, -95.606 
{ ca  val b 6 } -5.977, 5.627, -93.558 
{ ca  ile b 7 } -3.354, 2.863, -93.304 
{ ca  lys b 8 } -4.409, -0.777, -93.459 
{ ca  cys b 9 } -2.073, -3.092, -91.553 
{ ca  lys b 10 } -1.757, -6.145, -89.345 
{ ca  ala b 11 } -2.258, -5.975, -85.569 
{ ca  ala b 12 } -2.895, -8.480, -82.762 
{ ca  val b 13 } -6.508, -7.984, -81.695 
{ ca  leu b 14 } -7.905, -9.426, -78.485 
{ ca  trp b 15 } -11.636, -10.045, -78.885 
{ ca  glu b 16 } -12.154, -12.096, -75.716 
{ ca  val b 17 } -10.342, -12.783, -72.462 
{ ca  lys b 18 } -8.247, -15.951, -72.055 
{ ca  lys b 19 } -8.199, -16.282, -75.834 
{ ca  pro b 20 } -5.232, -15.987, -78.208 
{ ca  phe b 21 } -4.462, -12.831, -80.164 
{ ca  ser b 22 } -5.625, -12.606, -83.781 
{ ca  ile b 23 } -3.157, -11.143, -86.257 
{ ca  glu b 24 } -5.766, -9.299, -88.336 
{ ca  asp b 25 } -6.068, -6.493, -90.892 
{ ca  val b 26 } -7.120, -3.244, -89.238 
{ ca  glu b 27 } -7.523, 0.286, -90.565 
{ ca  val b 28 } -5.511, 2.878, -88.629 
{ ca  ala b 29 } -7.085, 6.313, -89.075 
{ ca  pro b 30 } -4.818, 9.361, -89.604 
{ ca  pro b 31 } -3.627, 11.471, -86.600 
{ ca  lys b 32 } -5.883, 14.334, -85.465 
{ ca  ala b 33 } -4.485, 17.603, -84.083 
{ ca  tyr b 34 } -1.865, 17.025, -81.366 
{ ca  glu b 35 } -1.578, 13.358, -82.285 
{ ca  val b 36 } 1.259, 11.294, -83.790 
{ ca  arg b 37 } 0.990, 8.174, -85.951 
{ ca  ile b 38 } 3.909, 5.876, -85.157 
{ ca  lys b 39 } 5.431, 3.042, -87.188 
{ ca  met b 40 } 6.356, 0.311, -84.681 
{ ca  val b 41 } 9.789, -1.344, -84.808 
{ ca  ala b 42 } 10.150, -3.279, -81.532 
{ ca  val b 43 } 7.650, -4.184, -78.798 
{ ca  gly b 44 } 8.536, -5.904, -75.528 
{ ca  ile b 45 } 6.001, -8.057, -73.687 
{ ca  cys b 46 } 5.062, -6.780, -70.170 
{ ca  arg b 47 } 3.034, -8.833, -67.655 
{ ca  thr b 48 } 0.480, -6.012, -67.579 
{ ca  asp b 49 } -0.526, -6.856, -71.197 
{ ca  asp b 50 } -1.094, -10.401, -69.973 
{ ca  his b 51 } -3.239, -9.096, -67.088 
{ ca  val b 52 } -5.923, -8.146, -69.610 
{ ca  val b 53 } -5.547, -11.517, -71.310 
{ ca  ser b 54 } -6.169, -13.224, -67.939 
{ ca  gly b 55 } -8.974, -10.932, -66.827 
{ ca  asn b 56 } -6.985, -9.534, -63.890 
{ ca  leu b 57 } -7.067, -6.027, -65.378 
{ ca  val b 58 } -10.389, -5.035, -66.888 
{ ca  thr b 59 } -10.546, -2.716, -69.907 
{ ca  pro b 60 } -13.100, -2.512, -72.737 
{ ca  leu b 61 } -12.709, -5.129, -75.474 
{ ca  pro b 62 } -12.006, -5.624, -78.423 
{ ca  val b 63 } -8.647, -4.028, -77.755 
{ ca  ile b 64 } -5.160, -3.792, -79.159 
{ ca  leu b 65 } -2.723, -4.113, -76.275 
{ ca  gly b 66 } 0.934, -3.185, -75.954 
{ ca  his b 67 } 2.528, -0.143, -74.326 
{ ca  glu b 68 } 6.223, -1.091, -74.043 
{ ca  ala b 69 } 7.803, -0.228, -77.405 
{ ca  ala b 70 } 9.814, 2.007, -79.755 
{ ca  gly b 71 } 9.097, 3.263, -83.271 
{ ca  ile b 72 } 9.393, 5.987, -85.907 
{ ca  val b 73 } 7.090, 8.950, -86.543 
{ ca  glu b 74 } 5.151, 8.149, -89.709 
{ ca  ser b 75 } 3.155, 11.422, -89.541 
{ ca  val b 76 } 1.967, 14.066, -87.104 
{ ca  gly b 77 } -1.279, 15.976, -86.770 
{ ca  glu b 78 } -1.870, 19.718, -86.673 
{ ca  gly b 79 } -0.330, 21.588, -83.753 
{ ca  val b 80 } 2.411, 19.035, -83.112 
{ ca  thr b 81 } 5.593, 20.777, -81.940 
{ ca  thr b 82 } 7.649, 18.060, -80.200 
{ ca  val b 83 } 8.081, 15.420, -82.889 
{ ca  lys b 84 } 8.344, 15.444, -86.677 
{ ca  pro b 85 } 8.130, 12.545, -89.148 
{ ca  gly b 86 } 11.192, 10.277, -89.142 
{ ca  asp b 87 } 11.873, 11.046, -85.465 
{ ca  lys b 88 } 12.592, 8.054, -83.244 
{ ca  val b 89 } 9.966, 7.748, -80.524 
{ ca  ile b 90 } 8.808, 5.862, -77.445 
{ ca  pro b 91 } 5.073, 5.912, -76.625 
{ ca  leu b 92 } 4.421, 6.488, -72.888 
{ ca  phe b 93 } 1.722, 4.413, -71.129 
{ ca  thr b 94 } 1.377, 7.379, -68.773 
{ ca  pro b 95 } 1.146, 10.901, -70.279 
{ ca  gln b 96 } 2.638, 14.182, -69.062 
{ ca  cys b 97 } 0.077, 16.704, -70.211 
{ ca  gly b 98 } 2.071, 19.300, -68.236 
{ ca  lys b 99 } -1.081, 21.185, -67.252 
{ ca  cys b 100 } -2.854, 19.193, -64.572 
{ ca  arg b 101 } -2.309, 19.413, -60.814 
{ ca  val b 102 } -0.163, 16.249, -60.944 
{ ca  cys b 103 } 2.112, 17.278, -63.837 
{ ca  lys b 104 } 2.721, 20.585, -62.052 
{ ca  asn b 105 } 3.726, 18.764, -58.844 
{ ca  pro b 106 } 7.512, 18.086, -58.757 
{ ca  glu b 107 } 7.153, 14.588, -57.322 
{ ca  ser b 108 } 4.043, 13.078, -58.908 
{ ca  asn b 109 } 3.830, 11.526, -62.389 
{ ca  tyr b 110 } 0.398, 9.926, -62.587 
{ ca  cys b 111 } -1.044, 12.549, -64.991 
{ ca  leu b 112 } -4.825, 13.012, -64.966 
{ ca  lys b 113 } -4.857, 12.186, -68.685 
{ ca  asn b 114 } -4.104, 8.504, -68.053 
{ ca  asp b 115 } -6.456, 5.689, -69.069 
{ ca  leu b 116 } -5.592, 3.462, -66.072 
{ ca  gly b 117 } -7.930, 4.774, -63.386 
{ ca  asn b 118 } -11.088, 4.548, -65.407 
{ ca  pro b 119 } -10.308, 2.880, -68.774 
{ ca  arg b 120 } -12.188, 4.201, -71.813 
{ ca  gly b 121 } -10.006, 2.469, -74.414 
{ ca  thr b 122 } -9.830, 5.690, -76.385 
{ ca  leu b 123 } -7.406, 8.493, -77.025 
{ ca  gln b 124 } -7.572, 11.590, -74.846 
{ ca  asp b 125 } -10.321, 13.028, -77.042 
{ ca  gly b 126 } -12.636, 10.140, -76.280 
{ ca  thr b 127 } -12.486, 8.543, -79.727 
{ ca  arg b 128 } -10.801, 5.555, -81.364 
{ ca  arg b 129 } -8.551, 5.379, -84.421 
{ ca  phe b 130 } -8.764, 1.636, -85.018 
{ ca  thr b 131 } -11.345, -0.308, -86.968 
{ ca  cys b 132 } -11.458, -3.961, -87.972 
{ ca  arg b 133 } -14.206, -5.591, -90.017 
{ ca  gly b 134 } -16.543, -2.620, -89.762 
{ ca  lys b 135 } -16.000, -2.665, -86.000 
{ ca  pro b 136 } -14.304, 0.022, -83.898 
{ ca  ile b 137 } -11.444, -1.435, -81.794 
{ ca  his b 138 } -10.279, -0.038, -78.421 
{ ca  his b 139 } -6.876, 1.373, -77.606 
{ ca  phe b 140 } -4.953, 0.329, -74.486 
{ ca  leu b 141 } -3.325, 2.803, -72.109 
{ ca  gly b 142 } -3.487, 5.168, -75.061 
{ ca  thr b 143 } -0.600, 3.320, -76.730 
{ ca  ser b 144 } -1.779, 0.014, -78.337 
{ ca  thr b 145 } 1.692, -0.892, -79.547 
{ ca  phe b 146 } 0.822, -4.461, -80.719 
{ ca  ser b 147 } 0.123, -3.044, -84.166 
{ ca  gln b 148 } 2.309, -2.230, -87.155 
{ ca  tyr b 149 } 1.092, 1.359, -86.803 
{ ca  thr b 150 } -0.625, 3.249, -84.005 
{ ca  val b 151 } -1.818, 6.790, -83.243 
{ ca  val b 152 } -0.871, 8.355, -79.869 
{ ca  asp b 153 } -1.396, 11.741, -78.198 
{ ca  glu b 154 } 1.556, 14.112, -78.378 
{ ca  asn b 155 } 1.861, 14.391, -74.575 
{ ca  ala b 156 } 2.146, 10.563, -74.525 
{ ca  val b 157 } 5.093, 10.244, -76.964 
{ ca  ala b 158 } 8.760, 11.054, -76.326 
{ ca  lys b 159 } 11.500, 11.739, -78.868 
{ ca  ile b 160 } 14.746, 9.854, -78.243 
{ ca  asp b 161 } 18.341, 9.842, -79.526 
{ ca  ala b 162 } 18.447, 9.402, -83.308 
{ ca  ala b 163 } 21.034, 6.621, -83.036 
{ ca  ser b 164 } 18.991, 4.616, -80.488 
{ ca  pro b 165 } 18.767, 0.845, -81.156 
{ ca  leu b 166 } 14.954, 0.554, -81.049 
{ ca  glu b 167 } 15.249, -3.200, -80.387 
{ ca  lys b 168 } 16.828, -2.793, -76.957 
{ ca  val b 169 } 15.694, 0.717, -75.998 
{ ca  cys b 170 } 12.032, -0.361, -76.217 
{ ca  leu b 171 } 12.369, -1.723, -72.645 
{ ca  ile b 172 } 12.883, 1.824, -71.362 
{ ca  gly b 173 } 9.264, 2.227, -72.470 
{ ca  cys b 174 } 8.081, 0.323, -69.388 
{ ca  gly b 175 } 9.985, -2.537, -67.734 
{ ca  phe b 176 } 13.360, -0.896, -67.136 
{ ca  ser b 177 } 11.959, 2.528, -66.251 
{ ca  thr b 178 } 9.458, 1.074, -63.803 
{ ca  gly b 179 } 11.867, -1.193, -61.929 
{ ca  tyr b 180 } 14.885, 1.116, -61.964 
{ ca  gly b 181 } 12.894, 4.237, -61.092 
{ ca  ser b 182 } 11.048, 2.400, -58.306 
{ ca  ala b 183 } 14.396, 1.909, -56.573 
{ ca  val b 184 } 15.888, 5.338, -57.289 
{ ca  asn b 185 } 12.893, 7.698, -57.380 
{ ca  val b 186 } 10.188, 6.038, -55.310 
{ ca  ala b 187 } 11.911, 4.145, -52.509 
{ ca  lys b 188 } 14.977, 6.367, -52.747 
{ ca  val b 189 } 17.371, 3.622, -51.661 
{ ca  thr b 190 } 20.143, 5.086, -49.533 
{ ca  pro b 191 } 23.799, 4.174, -49.968 
{ ca  gly b 192 } 24.700, 1.326, -47.606 
{ ca  ser b 193 } 21.071, 0.226, -47.147 
{ ca  thr b 194 } 19.625, -3.308, -47.280 
{ ca  cys b 195 } 16.952, -4.104, -49.905 
{ ca  ala b 196 } 14.706, -7.054, -50.767 
{ ca  val b 197 } 13.074, -7.611, -54.173 
{ ca  phe b 198 } 10.149, -10.041, -54.661 
{ ca  gly b 199 } 9.790, -11.093, -58.279 
{ ca  leu b 200 } 12.634, -11.346, -60.734 
{ ca  gly b 201 } 11.088, -10.713, -64.160 
{ ca  gly b 202 } 11.899, -7.763, -66.432 
{ ca  val b 203 } 10.615, -5.163, -63.985 
{ ca  gly b 204 } 11.945, -6.966, -60.889 
{ ca  leu b 205 } 15.502, -7.255, -62.250 
{ ca  ser b 206 } 15.636, -3.564, -63.156 
{ ca  ala b 207 } 14.754, -2.923, -59.489 
{ ca  val b 208 } 17.866, -4.955, -58.617 
{ ca  met b 209 } 19.860, -2.737, -61.019 
{ ca  gly b 210 } 18.356, 0.372, -59.431 
{ ca  cys b 211 } 19.153, -0.620, -55.835 
{ ca  lys b 212 } 22.710, -1.382, -56.981 
{ ca  ala b 213 } 23.127, 2.000, -58.646 
{ ca  ala b 214 } 21.768, 3.712, -55.494 
{ ca  gly b 215 } 24.537, 2.043, -53.511 
{ ca  ala b 216 } 22.558, -0.596, -51.609 
{ ca  ala b 217 } 24.982, -2.688, -49.570 
{ ca  arg b 218 } 22.826, -5.820, -49.667 
{ ca  ile b 219 } 20.204, -6.909, -52.188 
{ ca  ile b 220 } 18.153, -9.989, -51.402 
{ ca  ala b 221 } 16.477, -11.418, -54.527 
{ ca  val b 222 } 13.288, -13.442, -54.005 
{ ca  asp b 223 } 11.662, -15.762, -56.576 
{ ca  ile b 224 } 10.141, -19.248, -56.687 
{ ca  asn b 225 } 11.737, -19.733, -60.138 
{ ca  lys b 226 } 15.393, -20.625, -59.476 
{ ca  asp b 227 } 16.336, -19.990, -63.107 
{ ca  lys b 228 } 16.221, -16.229, -62.482 
{ ca  phe b 229 } 19.022, -16.322, -59.862 
{ ca  ala b 230 } 21.748, -16.411, -62.510 
{ ca  lys b 231 } 20.682, -13.025, -63.869 
{ ca  ala b 232 } 19.713, -11.548, -60.488 
{ ca  lys b 233 } 23.255, -12.020, -59.156 
{ ca  glu b 234 } 24.759, -10.795, -62.454 
{ ca  leu b 235 } 22.749, -7.568, -62.229 
{ ca  gly b 236 } 23.692, -7.005, -58.595 
{ ca  ala b 237 } 21.743, -9.233, -56.224 
{ ca  thr b 238 } 23.901, -10.172, -53.257 
{ ca  glu b 239 } 21.876, -13.308, -52.522 
{ ca  cys b 240 } 18.869, -15.230, -53.758 
{ ca  ile b 241 } 16.079, -16.836, -51.760 
{ ca  asn b 242 } 13.370, -19.245, -52.902 
{ ca  pro b 243 } 10.364, -19.264, -50.551 
{ ca  gln b 244 } 9.821, -22.937, -51.410 
{ ca  asp b 245 } 12.984, -24.207, -49.684 
{ ca  tyr b 246 } 11.731, -23.032, -46.298 
{ ca  lys b 247 } 9.378, -24.446, -43.683 
{ ca  lys b 248 } 9.069, -20.889, -42.357 
{ ca  pro b 249 } 7.195, -17.890, -43.896 
{ ca  ile b 250 } 9.441, -15.760, -46.081 
{ ca  gln b 251 } 9.068, -12.490, -44.170 
{ ca  glu b 252 } 10.272, -14.291, -41.035 
{ ca  val b 253 } 13.139, -15.890, -42.929 
{ ca  leu b 254 } 14.017, -12.390, -44.135 
{ ca  lys b 255 } 13.824, -10.609, -40.773 
{ ca  glu b 256 } 16.141, -13.143, -39.130 
{ ca  met b 257 } 18.584, -12.646, -42.013 
{ ca  thr b 258 } 18.734, -8.869, -41.706 
{ ca  asp b 259 } 18.558, -8.203, -37.951 
{ ca  gly b 260 } 14.887, -7.278, -37.770 
{ ca  gly b 261 } 14.168, -6.612, -41.442 
{ ca  val b 262 } 15.227, -4.819, -44.625 
{ ca  asp b 263 } 15.263, -1.014, -45.065 
{ ca  phe b 264 } 13.571, -1.187, -48.484 
{ ca  ser b 265 } 11.474, -3.975, -49.941 
{ ca  phe b 266 } 9.758, -4.010, -53.353 
{ ca  glu b 267 } 6.936, -6.252, -54.454 
{ ca  val b 268 } 7.335, -6.673, -58.251 
{ ca  ile b 269 } 4.852, -9.500, -58.909 
{ ca  gly b 270 } 1.240, -8.499, -58.297 
{ ca  arg b 271 } -0.110, -10.898, -55.645 
{ ca  leu b 272 } -1.670, -9.923, -52.303 
{ ca  asp b 273 } 0.211, -12.594, -50.339 
{ ca  thr b 274 } 3.516, -11.236, -51.676 
{ ca  met b 275 } 2.574, -7.595, -51.062 
{ ca  met b 276 } 1.824, -8.623, -47.444 
{ ca  ala b 277 } 5.202, -10.388, -47.257 
{ ca  ser b 278 } 7.024, -7.267, -48.537 
{ ca  leu b 279 } 5.381, -4.935, -46.035 
{ ca  leu b 280 } 6.139, -7.412, -43.195 
{ ca  cys b 281 } 9.820, -8.009, -44.011 
{ ca  cys b 282 } 10.860, -4.375, -43.878 
{ ca  his b 283 } 11.971, -3.216, -40.413 
{ ca  glu b 284 } 8.985, -2.007, -38.342 
{ ca  ala b 285 } 10.724, 1.266, -37.388 
{ ca  cys b 286 } 12.587, 2.388, -40.502 
{ ca  gly b 287 } 11.548, 0.181, -43.411 
{ ca  thr b 288 } 9.819, 1.366, -46.602 
{ ca  ser b 289 } 7.809, -1.063, -48.718 
{ ca  val b 290 } 7.229, -0.137, -52.395 
{ ca  ile b 291 } 4.422, -1.859, -54.277 
{ ca  val b 292 } 5.265, -2.132, -58.003 
{ ca  gly b 293 } 3.191, -5.150, -59.022 
{ ca  val b 294 } -0.295, -4.599, -60.361 
{ ca  pro b 295 } -2.891, -6.316, -58.106 
{ ca  pro b 296 } -5.726, -8.468, -59.529 
{ ca  ala b 297 } -9.044, -6.629, -59.857 
{ ca  ser b 298 } -11.179, -6.172, -56.728 
{ ca  gln b 299 } -9.046, -7.906, -54.094 
{ ca  asn b 300 } -8.199, -6.466, -50.672 
{ ca  leu b 301 } -5.566, -6.846, -47.981 
{ ca  ser b 302 } -6.367, -6.985, -44.276 
{ ca  ile b 303 } -3.654, -5.098, -42.442 
{ ca  asn b 304 } -3.246, -4.128, -38.808 
{ ca  pro b 305 } -2.518, -0.341, -38.679 
{ ca  met b 306 } 0.023, -1.019, -35.926 
{ ca  leu b 307 } 2.375, -2.155, -38.700 
{ ca  leu b 308 } 2.677, 1.478, -39.841 
{ ca  leu b 309 } 2.406, 3.215, -36.468 
{ ca  thr b 310 } 5.916, 2.115, -35.476 
{ ca  gly b 311 } 7.493, 3.961, -38.383 
{ ca  arg b 312 } 6.940, 1.959, -41.597 
{ ca  thr b 313 } 6.380, 3.696, -44.925 
{ ca  trp b 314 } 4.146, 1.929, -47.453 
{ ca  lys b 315 } 3.976, 3.428, -50.935 
{ ca  gly b 316 } 3.491, 2.529, -54.565 
{ ca  ala b 317 } 3.981, 4.121, -57.969 
{ ca  val b 318 } 3.395, 3.683, -61.678 
{ ca  tyr b 319 } 6.296, 4.060, -64.152 
{ ca  gly b 320 } 8.951, 4.087, -61.431 
{ ca  gly b 321 } 8.193, 7.693, -60.527 
{ ca  phe b 322 } 9.461, 9.156, -63.817 
{ ca  lys b 323 } 7.498, 12.056, -65.313 
{ ca  ser b 324 } 7.101, 10.321, -68.701 
{ ca  lys b 325 } 7.879, 12.824, -71.447 
{ ca  glu b 326 } 11.036, 14.047, -69.663 
{ ca  gly b 327 } 12.342, 10.933, -67.927 
{ ca  ile b 328 } 12.300, 8.372, -70.756 
{ ca  pro b 329 } 14.475, 10.531, -73.060 
{ ca  lys b 330 } 17.120, 11.242, -70.397 
{ ca  leu b 331 } 17.134, 7.526, -69.653 
{ ca  val b 332 } 17.978, 6.625, -73.259 
{ ca  ala b 333 } 20.787, 9.199, -73.153 
{ ca  asp b 334 } 22.229, 7.473, -70.081 
{ ca  phe b 335 } 21.982, 4.181, -71.976 
{ ca  met b 336 } 23.835, 5.837, -74.873 
{ ca  ala b 337 } 26.419, 7.115, -72.390 
{ ca  lys b 338 } 26.825, 3.425, -71.490 
{ ca  lys b 339 } 25.502, 4.061, -67.962 
{ ca  phe b 340 } 23.699, 0.716, -67.978 
{ ca  ser b 341 } 22.751, -2.159, -70.268 
{ ca  leu b 342 } 19.470, -3.813, -71.268 
{ ca  asp b 343 } 21.019, -6.974, -72.688 
{ ca  ala b 344 } 20.504, -9.351, -69.756 
{ ca  leu b 345 } 16.791, -8.484, -69.779 
{ ca  ile b 346 } 16.069, -9.520, -73.375 
{ ca  thr b 347 } 16.035, -13.311, -73.553 
{ ca  his b 348 } 13.853, -13.965, -76.618 
{ ca  val b 349 } 13.248, -12.013, -79.822 
{ ca  leu b 350 } 10.282, -13.113, -81.923 
{ ca  pro b 351 } 8.671, -11.811, -85.116 
{ ca  phe b 352 } 5.463, -9.844, -84.376 
{ ca  glu b 353 } 3.292, -12.536, -85.975 
{ ca  lys b 354 } 4.347, -15.019, -83.284 
{ ca  ile b 355 } 3.092, -12.859, -80.399 
{ ca  asn b 356 } 0.994, -15.735, -79.000 
{ ca  glu b 357 } 4.220, -17.736, -78.653 
{ ca  gly b 358 } 5.753, -14.814, -76.756 
{ ca  phe b 359 } 2.977, -14.919, -74.167 
{ ca  asp b 360 } 3.503, -18.688, -73.806 
{ ca  leu b 361 } 7.151, -18.145, -72.884 
{ ca  leu b 362 } 6.072, -15.577, -70.263 
{ ca  his b 363 } 3.742, -18.149, -68.733 
{ ca  ser b 364 } 6.321, -20.932, -68.767 
{ ca  gly b 365 } 8.896, -18.742, -67.042 
{ ca  lys b 366 } 11.577, -19.230, -69.699 
{ ca  ser b 367 } 11.880, -15.583, -70.642 
{ ca  ile b 368 } 12.662, -12.440, -68.696 
{ ca  arg b 369 } 11.666, -10.127, -71.577 
{ ca  thr b 370 } 10.742, -11.128, -75.126 
{ ca  val b 371 } 10.977, -8.463, -77.836 
{ ca  leu b 372 } 8.535, -8.832, -80.733 
{ ca  thr b 373 } 10.017, -7.246, -83.830 
{ ca  phe b 374 } 8.404, -5.703, -86.902 
@group {NAD} dominant      
@subgroup {het groups}    
@vectorlist {ht} color= pink      
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ap   nad 1 377 } -8.673, 13.173, -27.698 
{ao1  nad 1 377 } -9.634, 12.222, -27.205 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ao2  nad 1 377 } -8.628, 14.317, -26.790 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ao5* nad 1 377 } -9.273, 13.654, -29.135 
{ac5* nad 1 377 } -9.785, 12.760, -30.127 
{ac4* nad 1 377 } -10.627, 13.746, -30.930 
{ao4* nad 1 377 } -11.152, 13.043, -32.047 
{ac4* nad 1 377 } P -10.627, 13.746, -30.930 
{ac3* nad 1 377 } -11.806, 14.286, -30.075 
{ao3* nad 1 377 } -11.936, 15.699, -30.255 
{ac3* nad 1 377 } P -11.806, 14.286, -30.075 
{ac2* nad 1 377 } -13.025, 13.617, -30.687 
{ao2* nad 1 377 } -14.118, 14.557, -30.682 
{ao4* nad 1 377 } P -11.152, 13.043, -32.047 
{ac1* nad 1 377 } -12.529, 13.397, -32.125 
{an9  nad 1 377 } -13.248, 12.304, -32.731 
{ac8  nad 1 377 } -13.587, 11.079, -32.166 
{an7  nad 1 377 } -14.278, 10.268, -33.060 
{ac5  nad 1 377 } -14.343, 11.047, -34.190 
{ac6  nad 1 377 } -14.914, 10.719, -35.395 
{an6  nad 1 377 } -15.509, 9.524, -35.582 
{ac6  nad 1 377 } P -14.914, 10.719, -35.395 
{an1  nad 1 377 } -14.842, 11.658, -36.383 
{ac2  nad 1 377 } -14.226, 12.879, -36.176 
{an3  nad 1 377 } -13.648, 13.222, -34.965 
{an9  nad 1 377 } P -13.248, 12.304, -32.731 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{ap   nad 1 377 } P -8.673, 13.173, -27.698 
{ o3  nad 1 377 } -7.329, 12.415, -27.871 
{np   nad 1 377 } -5.780, 12.760, -28.026 
{no1  nad 1 377 } -5.118, 12.723, -26.675 
{np   nad 1 377 } P -5.780, 12.760, -28.026 
{no2  nad 1 377 } -5.509, 14.044, -28.705 
{np   nad 1 377 } P -5.780, 12.760, -28.026 
{no5* nad 1 377 } -5.125, 11.635, -28.873 
{nc5* nad 1 377 } -5.721, 11.264, -30.148 
{nc4* nad 1 377 } -5.125, 9.939, -30.619 
{no4* nad 1 377 } -3.729, 10.051, -30.693 
{nc4* nad 1 377 } P -5.125, 9.939, -30.619 
{nc3* nad 1 377 } -5.364, 8.821, -29.592 
{no3* nad 1 377 } -5.740, 7.627, -30.282 
{nc3* nad 1 377 } P -5.364, 8.821, -29.592 
{nc2* nad 1 377 } -3.948, 8.636, -29.013 
{no2* nad 1 377 } -3.794, 7.277, -28.592 
{no4* nad 1 377 } P -3.729, 10.051, -30.693 
{nc1* nad 1 377 } -3.034, 8.896, -30.222 
{nn1  nad 1 377 } -1.671, 9.275, -29.807 
{nc2  nad 1 377 } -0.685, 8.844, -30.498 
{nc3  nad 1 377 } 0.583, 9.086, -30.107 
{nc7  nad 1 377 } 1.650, 8.632, -30.856 
{no7  nad 1 377 } 2.821, 8.896, -30.491 
{nc7  nad 1 377 } P 1.650, 8.632, -30.856 
{nn7  nad 1 377 } 1.496, 8.137, -32.073 
{nc3  nad 1 377 } P 0.583, 9.086, -30.107 
{nc4  nad 1 377 } 0.848, 9.792, -28.958 
{nc5  nad 1 377 } -0.148, 10.260, -28.213 
{nn1  nad 1 377 } P -1.671, 9.275, -29.807 
{nc6  nad 1 377 } -1.432, 9.990, -28.668 
{ac2* nad 1 377 } P -13.025, 13.617, -30.687 
{ac1* nad 1 377 } -12.529, 13.397, -32.125 
{ac5  nad 1 377 } P -14.343, 11.047, -34.190 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{an3  nad 1 377 } P -13.648, 13.222, -34.965 
{ac4  nad 1 377 } -13.747, 12.247, -34.009 
{nc2* nad 1 377 } P -3.948, 8.636, -29.013 
{nc1* nad 1 377 } -3.034, 8.896, -30.222 
{nc5  nad 1 377 } P -0.148, 10.260, -28.213 
{nc6  nad 1 377 } -1.432, 9.990, -28.668 
@group {amino acids} dominant      
@subgroup {} nobutton    
@labellist {Drawn} color= green      
{ H51 } -6.898, 3.358, -24.129 
{ T48 } -1.312, 5.280, -25.201 
{ R 271 } -16.453, 5.228, -35.616 
{ I 224 } -17.856, 13.152, -35.674 
{ T274 } -10.817, 7.631, -37.534 
{ I 269 } -10.745, 9.280, -33.343 
{ K 228 } -12.217, 19.930, -29.016 
{ V203 } -2.017, 13.824, -28.822 
@kinemage 4
@caption
The catalytic zinc ion is liganded to 3 mainchain residues: Cys 46, Cys 174, and His 67. 
@onewidth 
@viewid {Zn ion}
@zoom 2.47 
@zslab 200 
@center 2.118 11.519 -25.919 
@matrix 
0.814599 -0.496795 -0.299370 0.508466 0.859980 -0.043554 0.279089 -0.116741 0.953142 
@2viewid {Zn ion}
@2zoom 4.37 
@2zslab 150 
@2center 2.118 11.519 -25.919 
@2matrix 
0.682326 -0.537783 -0.495197 0.682890 0.710665 0.169164 0.260945 -0.453590 0.852153 
@group {subunit 1}      
@subgroup {mainchain}    
@vectorlist {ca-ca} color= bluetint      
{ ca  ser a 1 } P 16.318, 13.369, 2.512 
{ ca  ser a 1 } 16.318, 13.369, 2.512 
{ ca  thr a 2 } 14.857, 10.240, 0.912 
{ ca  ala a 3 } 17.725, 9.115, -1.312 
{ ca  gly a 4 } 18.596, 5.462, -0.925 
{ ca  lys a 5 } 15.340, 4.890, 0.925 
{ ca  val a 6 } 12.040, 3.397, -0.166 
{ ca  ile a 7 } 9.597, 6.291, -0.590 
{ ca  lys a 8 } 5.955, 5.888, 0.358 
{ ca  cys a 9 } 3.537, 8.083, -1.586 
{ ca  ala a 12 } P -3.370, 6.255, -9.070 
{ ca  val a 13 } -3.626, 2.477, -9.560 
{ ca  leu a 14 } -5.718, 0.761, -12.245 
{ ca  trp a 15 } -6.470, -2.693, -10.801 
{ ca  glu a 16 } -8.927, -3.677, -13.497 
{ ca  val a 17 } -9.958, -2.476, -16.962 
{ ca  lys a 18 } -12.992, -0.188, -17.282 
{ ca  lys a 19 } -12.779, 0.784, -13.601 
{ ca  pro a 20 } -12.013, 4.143, -11.943 
{ ca  phe a 21 } -8.499, 4.898, -10.790 
{ ca  ser a 22 } -7.899, 4.133, -7.124 
{ ca  ile a 23 } -5.604, 6.584, -5.328 
{ ca  glu a 24 } -3.458, 4.439, -3.037 
{ ca  asp a 25 } -0.264, 4.530, -0.999 
{ ca  val a 26 } 2.534, 2.741, -2.746 
{ ca  glu a 27 } 6.177, 2.153, -2.028 
{ ca  val a 28 } 8.676, 3.359, -4.629 
{ ca  ala a 29 } 11.963, 1.487, -4.456 
{ ca  pro a 30 } 15.089, 3.603, -4.839 
{ ca  pro a 31 } 16.705, 3.759, -8.327 
{ ca  lys a 32 } 19.200, 1.165, -9.529 
{ ca  ala a 33 } 22.203, 1.858, -11.738 
{ ca  tyr a 34 } 21.247, 4.067, -14.690 
{ ca  glu a 35 } 17.797, 4.816, -13.209 
{ ca  val a 36 } 16.378, 8.127, -12.049 
{ ca  arg a 37 } 13.709, 8.584, -9.373 
{ ca  ile a 38 } 11.620, 11.627, -10.107 
{ ca  lys a 39 } 9.258, 13.771, -8.095 
{ ca  ile a 45 } P -3.952, 13.237, -19.552 
{ ca  cys a 46 } -3.481, 11.666, -23.048 
{ ca  arg a 47 } -6.045, 9.375, -24.747 
{ ca  thr a 48 } -3.399, 6.597, -24.766 
{ ca  asp a 49 } -3.743, 6.330, -20.982 
{ ca  asp a 50 } -7.464, 6.111, -21.554 
{ ca  his a 51 } -6.898, 3.358, -24.129 
{ ca  val a 52 } -5.659, 1.002, -21.421 
{ ca  val a 53 } -8.611, 1.758, -19.123 
{ ca  ser a 54 } -11.144, 1.235, -21.929 
{ ca  gly a 55 } -9.347, -1.939, -22.995 
{ ca  asn a 56 } -8.268, -0.857, -26.519 
{ ca  leu a 57 } -4.564, -1.156, -25.635 
{ ca  val a 58 } -3.478, -4.262, -23.761 
{ ca  thr a 59 } -0.844, -3.927, -21.074 
{ ca  pro a 60 } -0.374, -5.983, -17.879 
{ ca  leu a 61 } -2.481, -4.952, -14.861 
{ ca  pro a 62 } -2.651, -3.774, -12.107 
{ ca  val a 63 } -0.710, -0.765, -13.402 
{ ca  ile a 64 } 0.364, 2.816, -12.857 
{ ca  leu a 65 } -0.245, 4.739, -16.093 
{ ca  gly a 66 } 0.675, 8.294, -17.084 
{ ca  his a 67 } 3.389, 9.407, -19.504 
{ ca  ile a 72 } P 12.228, 17.190, -10.671 
{ ca  val a 73 } 14.997, 14.621, -10.159 
{ ca  glu a 74 } 14.868, 13.393, -6.550 
{ ca  ser a 75 } 17.935, 11.133, -6.866 
{ ca  val a 76 } 19.986, 9.215, -9.452 
{ ca  gly a 77 } 21.290, 5.649, -9.396 
{ ca  glu a 78 } 24.892, 4.510, -9.883 
{ ca  gly a 79 } 26.279, 5.277, -13.331 
{ ca  val a 80 } 23.870, 8.104, -14.147 
{ ca  thr a 81 } 25.663, 11.036, -15.831 
{ ca  thr a 82 } 22.979, 12.937, -17.766 
{ ca  val a 83 } 21.055, 14.386, -14.821 
{ ca  lys a 84 } 21.525, 15.338, -11.186 
{ ca  pro a 85 } 19.114, 15.803, -8.260 
{ ca  gly a 86 } 17.228, 19.071, -8.593 
{ ca  asp a 87 } 17.126, 19.007, -12.411 
{ ca  lys a 88 } 13.877, 19.653, -14.253 
{ ca  val a 89 } 13.147, 16.725, -16.543 
{ ca  ile a 90 } 10.560, 15.164, -18.819 
{ ca  pro a 91 } 10.186, 11.371, -18.901 
{ ca  leu a 92 } 9.944, 9.922, -22.447 
{ ca  phe a 93 } 7.404, 7.234, -23.357 
{ ca  thr a 94 } 9.858, 6.007, -26.000 
{ ca  pro a 95 } 13.516, 5.879, -24.997 
{ ca  gln a 96 } 16.636, 6.800, -26.913 
{ ca  cys a 97 } 19.132, 4.132, -25.824 
{ ca  gly a 98 } 21.456, 5.425, -28.531 
{ ca  lys a 99 } 22.962, 2.019, -29.267 
{ ca  cys a 100 } 20.344, 0.136, -31.221 
{ ca  arg a 101 } 19.898, -0.038, -35.002 
{ ca  val a 102 } 17.008, 2.418, -34.717 
{ ca  cys a 103 } 18.840, 4.974, -32.577 
{ ca  lys a 104 } 21.816, 4.946, -34.951 
{ ca  asn a 105 } 19.503, 5.409, -37.946 
{ ca  pro a 106 } 19.086, 9.219, -38.171 
{ ca  glu a 107 } 15.572, 8.906, -39.631 
{ ca  ser a 108 } 13.885, 6.556, -37.139 
{ ca  asn a 109 } 13.057, 7.105, -33.458 
{ ca  tyr a 110 } 11.210, 3.965, -32.311 
{ ca  cys a 111 } 13.995, 2.752, -30.002 
{ ca  leu a 112 } 14.199, -1.018, -29.387 
{ ca  lys a 113 } 14.086, -0.581, -25.576 
{ ca  asn a 114 } 10.422, 0.501, -25.834 
{ ca  asp a 115 } 7.589, -1.271, -24.006 
{ ca  leu a 116 } 4.932, -0.671, -26.674 
{ ca  gly a 117 } 5.719, -3.542, -29.017 
{ ca  asn a 118 } 5.021, -6.250, -26.451 
{ ca  pro a 119 } 4.503, -4.608, -23.027 
{ ca  arg a 120 } 6.298, -6.350, -20.167 
{ ca  gly a 121 } 5.085, -3.612, -17.828 
{ ca  thr a 122 } 8.561, -3.198, -16.343 
{ ca  leu a 123 } 11.677, -1.054, -16.449 
{ ca  gln a 124 } 14.475, -1.969, -18.856 
{ ca  asp a 125 } 16.115, -4.514, -16.573 
{ ca  gly a 126 } 12.894, -6.514, -16.337 
{ ca  thr a 127 } 11.730, -5.554, -12.839 
{ ca  arg a 128 } 9.259, -3.162, -11.138 
{ ca  arg a 129 } 9.783, -0.513, -8.429 
{ ca  phe a 130 } 6.222, -0.176, -7.169 
{ ca  thr a 131 } 4.558, -2.237, -4.462 
{ ca  cys a 132 } 1.016, -1.808, -3.142 
{ ca  arg a 133 } -0.028, -3.964, -0.201 
{ ca  gly a 134 } 2.703, -6.492, -0.915 
{ ca  lys a 135 } 1.588, -6.811, -4.544 
{ ca  pro a 136 } 4.171, -5.561, -7.064 
{ ca  ile a 137 } 2.695, -3.011, -9.478 
{ ca  his a 138 } 3.423, -2.752, -13.214 
{ ca  his a 139 } 5.008, 0.199, -14.990 
{ ca  phe a 140 } 3.583, 1.791, -18.179 
{ ca  leu a 141 } 5.776, 2.679, -21.143 
{ ca  gly a 142 } 8.629, 2.689, -18.644 
{ ca  thr a 143 } 7.375, 6.021, -17.295 
{ ca  ser a 144 } 4.324, 5.543, -15.011 
{ ca  gln a 148 } P 3.956, 11.337, -6.780 
{ ca  tyr a 149 } 7.313, 9.686, -7.397 
{ ca  thr a 150 } 8.372, 7.367, -10.204 
{ ca  val a 151 } 11.604, 5.711, -11.360 
{ ca  val a 152 } 12.643, 5.684, -15.044 
{ ca  asp a 153 } 15.655, 4.448, -16.971 
{ ca  glu a 154 } 18.279, 7.090, -17.665 
{ ca  asn a 155 } 17.816, 6.755, -21.434 
{ ca  ala a 156 } 14.113, 7.609, -20.999 
{ ca  val a 157 } 14.531, 10.935, -19.195 
{ ca  ala a 158 } 15.388, 14.296, -20.775 
{ ca  lys a 159 } 16.899, 17.225, -18.900 
{ ca  ile a 160 } 15.132, 20.480, -19.690 
{ ca  asp a 161 } 15.527, 24.202, -19.064 
{ ca  ala a 162 } 15.946, 24.963, -15.348 
{ ca  ala a 163 } 13.480, 27.842, -15.755 
{ ca  ser a 164 } 10.795, 25.874, -17.637 
{ ca  pro a 165 } 7.213, 26.207, -16.290 
{ ca  leu a 166 } 6.525, 22.511, -15.552 
{ ca  glu a 167 } 2.738, 22.882, -15.661 
{ ca  lys a 168 } 3.007, 23.906, -19.308 
{ ca  val a 169 } 5.942, 22.010, -20.789 
{ ca  cys a 170 } 4.525, 18.663, -19.644 
{ ca  leu a 171 } 2.524, 18.623, -22.897 
{ ca  ile a 172 } 5.847, 18.495, -24.705 
{ ca  gly a 173 } 6.427, 15.120, -23.073 
{ ca  cys a 174 } 3.894, 13.629, -25.519 
{ ca  gly a 175 } 0.790, 15.393, -26.824 
{ ca  phe a 176 } 2.456, 18.393, -28.413 
{ ca  ser a 177 } 5.606, 16.666, -29.661 
{ ca  thr a 178 } 3.500, 13.981, -31.312 
{ ca  gly a 179 } 1.058, 16.357, -32.981 
{ ca  tyr a 180 } 3.560, 18.999, -34.120 
{ ca  gly a 181 } 6.226, 16.522, -35.203 
{ ca  ser a 182 } 3.806, 14.438, -37.192 
{ ca  ala a 183 } 3.352, 17.386, -39.564 
{ ca  val a 184 } 6.867, 18.867, -39.436 
{ ca  asn a 185 } 8.943, 15.644, -39.220 
{ ca  val a 186 } 6.947, 12.654, -40.409 
{ ca  ala a 187 } 4.680, 13.992, -43.176 
{ ca  lys a 188 } 7.103, 16.823, -43.924 
{ ca  val a 189 } 4.277, 19.237, -44.863 
{ ca  thr a 190 } 5.366, 21.445, -47.792 
{ ca  pro a 191 } 4.576, 25.172, -47.886 
{ ca  gly a 192 } 1.523, 26.036, -49.980 
{ ca  ser a 193 } 0.066, 22.545, -49.514 
{ ca  thr a 194 } -3.429, 21.461, -48.472 
{ ca  cys a 195 } -3.881, 19.559, -45.196 
{ ca  ala a 196 } -6.706, 17.597, -43.542 
{ ca  val a 197 } -6.465, 16.746, -39.803 
{ ca  phe a 198 } -8.969, 14.214, -38.398 
{ ca  gly a 199 } -9.349, 14.692, -34.631 
{ ca  leu a 200 } -9.075, 17.896, -32.618 
{ ca  gly a 201 } -7.845, 16.759, -29.206 
{ ca  gly a 202 } -4.575, 17.984, -27.716 
{ ca  val a 203 } -2.603, 15.869, -30.19