USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 393 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl 159:sc= -9.9! (180deg=-2.59!) USER MOD Set 1.2: B 118 MET CE :methyl 167:sc= -10.1! (180deg=-2.53!) USER MOD Set 1.3: C 218 MET CE :methyl 165:sc= -9.71! (180deg=-2.71!) USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.0947 USER MOD Single : A 4 ASN : amide:sc= -0.439! C(o=-0.44!,f=-4.8!) USER MOD Single : A 13 THR OG1 : rot 100:sc= 1.15 USER MOD Single : B 103 THR OG1 : rot 45:sc= 0.0844 USER MOD Single : B 104 ASN : amide:sc= -0.53! C(o=-0.53!,f=-5!) USER MOD Single : B 113 THR OG1 : rot 100:sc= 1.18 USER MOD Single : C 203 THR OG1 : rot 36:sc= 0.0866 USER MOD Single : C 204 ASN : amide:sc= -0.642! C(o=-0.64!,f=-5!) USER MOD Single : C 213 THR OG1 : rot 106:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -1.120 -3.134 -1.584 1.00 0.00 N ATOM 39 CA THR A 3 -2.534 -3.301 -1.848 1.00 0.00 C ATOM 40 C THR A 3 -2.890 -2.674 -3.188 1.00 0.00 C ATOM 41 O THR A 3 -3.799 -3.136 -3.873 1.00 0.00 O ATOM 42 CB THR A 3 -3.340 -2.661 -0.721 1.00 0.00 C ATOM 43 OG1 THR A 3 -3.041 -3.307 0.496 1.00 0.00 O ATOM 44 CG2 THR A 3 -4.831 -2.801 -1.018 1.00 0.00 C ATOM 0 HA THR A 3 -2.775 -4.363 -1.893 1.00 0.00 H new ATOM 0 HB THR A 3 -3.082 -1.605 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.113 -3.620 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.407 -2.344 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.063 -2.302 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.089 -3.857 -1.094 1.00 0.00 H new ATOM 52 N ASN A 4 -2.167 -1.616 -3.561 1.00 0.00 N ATOM 53 CA ASN A 4 -2.407 -0.931 -4.816 1.00 0.00 C ATOM 54 C ASN A 4 -2.633 -1.947 -5.926 1.00 0.00 C ATOM 55 O ASN A 4 -3.611 -1.857 -6.665 1.00 0.00 O ATOM 56 CB ASN A 4 -1.217 -0.032 -5.139 1.00 0.00 C ATOM 57 CG ASN A 4 -0.062 -0.844 -5.708 1.00 0.00 C ATOM 58 OD1 ASN A 4 0.404 -1.790 -5.078 1.00 0.00 O ATOM 59 ND2 ASN A 4 0.398 -0.472 -6.905 1.00 0.00 N ATOM 0 H ASN A 4 -1.410 -1.220 -3.004 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.301 -0.313 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.517 0.732 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.893 0.487 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.170 -0.981 -7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.023 0.321 -7.389 1.00 0.00 H new ATOM 66 N LEU A 5 -1.723 -2.917 -6.042 1.00 0.00 N ATOM 67 CA LEU A 5 -1.825 -3.945 -7.058 1.00 0.00 C ATOM 68 C LEU A 5 -3.260 -4.443 -7.146 1.00 0.00 C ATOM 69 O LEU A 5 -3.814 -4.561 -8.237 1.00 0.00 O ATOM 70 CB LEU A 5 -0.875 -5.090 -6.719 1.00 0.00 C ATOM 71 CG LEU A 5 0.509 -4.787 -7.286 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.443 -5.961 -7.004 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.405 -4.570 -8.793 1.00 0.00 C ATOM 0 H LEU A 5 -0.906 -3.004 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.545 -3.533 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.817 -5.220 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.253 -6.025 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 5 0.905 -3.887 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.432 -5.745 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.518 -6.116 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.048 -6.862 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.393 -4.354 -9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.009 -5.470 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.262 -3.731 -8.995 1.00 0.00 H new ATOM 85 N GLU A 6 -3.863 -4.737 -5.992 1.00 0.00 N ATOM 86 CA GLU A 6 -5.229 -5.219 -5.946 1.00 0.00 C ATOM 87 C GLU A 6 -6.180 -4.129 -6.421 1.00 0.00 C ATOM 88 O GLU A 6 -7.227 -4.421 -6.996 1.00 0.00 O ATOM 89 CB GLU A 6 -5.568 -5.650 -4.522 1.00 0.00 C ATOM 90 CG GLU A 6 -4.828 -6.943 -4.192 1.00 0.00 C ATOM 91 CD GLU A 6 -3.385 -6.880 -4.671 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.600 -6.161 -4.015 1.00 0.00 O ATOM 93 OE2 GLU A 6 -3.093 -7.552 -5.684 1.00 0.00 O ATOM 0 H GLU A 6 -3.418 -4.646 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.336 -6.079 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.287 -4.868 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.643 -5.798 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.851 -7.115 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.335 -7.787 -4.661 1.00 0.00 H new ATOM 101 N ILE A 7 -5.813 -2.869 -6.179 1.00 0.00 N ATOM 102 CA ILE A 7 -6.629 -1.741 -6.582 1.00 0.00 C ATOM 103 C ILE A 7 -6.716 -1.686 -8.101 1.00 0.00 C ATOM 104 O ILE A 7 -7.727 -1.255 -8.651 1.00 0.00 O ATOM 105 CB ILE A 7 -6.027 -0.454 -6.026 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.728 -0.631 -4.540 1.00 0.00 C ATOM 107 CG2 ILE A 7 -7.018 0.692 -6.213 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.485 0.734 -3.904 1.00 0.00 C ATOM 0 H ILE A 7 -4.949 -2.612 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.637 -1.855 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.103 -0.226 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.562 -1.130 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.853 -1.267 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.589 1.612 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.231 0.819 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.942 0.464 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.271 0.608 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.637 1.216 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.373 1.355 -4.024 1.00 0.00 H new ATOM 120 N ILE A 8 -5.651 -2.123 -8.778 1.00 0.00 N ATOM 121 CA ILE A 8 -5.612 -2.123 -10.227 1.00 0.00 C ATOM 122 C ILE A 8 -6.458 -3.268 -10.765 1.00 0.00 C ATOM 123 O ILE A 8 -7.203 -3.092 -11.727 1.00 0.00 O ATOM 124 CB ILE A 8 -4.165 -2.251 -10.696 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.448 -0.918 -10.505 1.00 0.00 C ATOM 126 CG2 ILE A 8 -4.142 -2.635 -12.173 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.942 -1.156 -10.436 1.00 0.00 C ATOM 0 H ILE A 8 -4.805 -2.481 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.021 -1.187 -10.607 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.660 -3.021 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.683 -0.245 -11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.793 -0.435 -9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.109 -2.727 -12.509 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.654 -3.588 -12.309 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.647 -1.865 -12.757 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.429 -0.204 -10.300 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.716 -1.814 -9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.604 -1.621 -11.362 1.00 0.00 H new ATOM 139 N ILE A 9 -6.342 -4.443 -10.142 1.00 0.00 N ATOM 140 CA ILE A 9 -7.096 -5.609 -10.558 1.00 0.00 C ATOM 141 C ILE A 9 -8.549 -5.462 -10.130 1.00 0.00 C ATOM 142 O ILE A 9 -9.443 -6.019 -10.764 1.00 0.00 O ATOM 143 CB ILE A 9 -6.474 -6.861 -9.945 1.00 0.00 C ATOM 144 CG1 ILE A 9 -5.122 -7.130 -10.598 1.00 0.00 C ATOM 145 CG2 ILE A 9 -7.398 -8.053 -10.177 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.303 -8.060 -9.707 1.00 0.00 C ATOM 0 H ILE A 9 -5.727 -4.604 -9.344 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.066 -5.699 -11.644 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.336 -6.711 -8.874 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.264 -7.581 -11.580 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.588 -6.193 -10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.955 -8.948 -9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.364 -7.861 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.536 -8.203 -11.248 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.337 -8.253 -10.173 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.150 -7.591 -8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.837 -9.001 -9.576 1.00 0.00 H new ATOM 158 N LEU A 10 -8.784 -4.710 -9.052 1.00 0.00 N ATOM 159 CA LEU A 10 -10.125 -4.494 -8.547 1.00 0.00 C ATOM 160 C LEU A 10 -10.793 -3.366 -9.321 1.00 0.00 C ATOM 161 O LEU A 10 -11.969 -3.457 -9.664 1.00 0.00 O ATOM 162 CB LEU A 10 -10.060 -4.164 -7.059 1.00 0.00 C ATOM 163 CG LEU A 10 -9.812 -5.443 -6.265 1.00 0.00 C ATOM 164 CD1 LEU A 10 -10.016 -5.167 -4.778 1.00 0.00 C ATOM 165 CD2 LEU A 10 -10.788 -6.523 -6.721 1.00 0.00 C ATOM 0 H LEU A 10 -8.053 -4.242 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.718 -5.399 -8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.263 -3.445 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.992 -3.699 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.790 -5.783 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.839 -6.081 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.318 -4.396 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.037 -4.827 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.611 -7.437 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.810 -6.184 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.641 -6.721 -7.783 1.00 0.00 H new ATOM 177 N GLU A 11 -10.037 -2.300 -9.595 1.00 0.00 N ATOM 178 CA GLU A 11 -10.560 -1.163 -10.326 1.00 0.00 C ATOM 179 C GLU A 11 -11.064 -1.611 -11.691 1.00 0.00 C ATOM 180 O GLU A 11 -12.180 -1.279 -12.086 1.00 0.00 O ATOM 181 CB GLU A 11 -9.468 -0.108 -10.473 1.00 0.00 C ATOM 182 CG GLU A 11 -9.421 0.754 -9.215 1.00 0.00 C ATOM 183 CD GLU A 11 -10.603 1.711 -9.167 1.00 0.00 C ATOM 184 OE1 GLU A 11 -11.267 1.740 -8.109 1.00 0.00 O ATOM 185 OE2 GLU A 11 -10.821 2.395 -10.190 1.00 0.00 O ATOM 0 H GLU A 11 -9.060 -2.209 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.396 -0.729 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.503 -0.588 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.664 0.514 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.429 0.116 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.489 1.319 -9.191 1.00 0.00 H new ATOM 193 N GLY A 12 -10.236 -2.370 -12.413 1.00 0.00 N ATOM 194 CA GLY A 12 -10.603 -2.859 -13.727 1.00 0.00 C ATOM 195 C GLY A 12 -11.695 -3.913 -13.612 1.00 0.00 C ATOM 196 O GLY A 12 -12.782 -3.751 -14.162 1.00 0.00 O ATOM 0 H GLY A 12 -9.307 -2.655 -12.102 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.950 -2.032 -14.346 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.729 -3.283 -14.222 1.00 0.00 H new ATOM 200 N THR A 13 -11.401 -4.999 -12.894 1.00 0.00 N ATOM 201 CA THR A 13 -12.357 -6.072 -12.711 1.00 0.00 C ATOM 202 C THR A 13 -13.700 -5.502 -12.276 1.00 0.00 C ATOM 203 O THR A 13 -14.750 -5.996 -12.683 1.00 0.00 O ATOM 204 CB THR A 13 -11.826 -7.055 -11.671 1.00 0.00 C ATOM 205 OG1 THR A 13 -10.710 -7.738 -12.198 1.00 0.00 O ATOM 206 CG2 THR A 13 -12.917 -8.060 -11.315 1.00 0.00 C ATOM 0 H THR A 13 -10.504 -5.151 -12.432 1.00 0.00 H new ATOM 0 HA THR A 13 -12.498 -6.600 -13.654 1.00 0.00 H new ATOM 0 HB THR A 13 -11.529 -6.511 -10.775 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.886 -7.336 -11.851 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.537 -8.762 -10.572 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.779 -7.532 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.215 -8.606 -12.210 1.00 0.00 H new ATOM 214 N ALA A 14 -13.663 -4.458 -11.446 1.00 0.00 N ATOM 215 CA ALA A 14 -14.873 -3.825 -10.959 1.00 0.00 C ATOM 216 C ALA A 14 -15.684 -3.292 -12.132 1.00 0.00 C ATOM 217 O ALA A 14 -16.806 -3.735 -12.365 1.00 0.00 O ATOM 218 CB ALA A 14 -14.505 -2.698 -9.999 1.00 0.00 C ATOM 0 H ALA A 14 -12.800 -4.037 -11.100 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.481 -4.555 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.414 -2.221 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.944 -3.105 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.894 -1.961 -10.520 1.00 0.00 H new ATOM 224 N VAL A 15 -15.112 -2.339 -12.870 1.00 0.00 N ATOM 225 CA VAL A 15 -15.782 -1.750 -14.012 1.00 0.00 C ATOM 226 C VAL A 15 -16.010 -2.812 -15.078 1.00 0.00 C ATOM 227 O VAL A 15 -16.876 -2.657 -15.937 1.00 0.00 O ATOM 228 CB VAL A 15 -14.938 -0.604 -14.562 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.805 0.289 -15.444 1.00 0.00 C ATOM 230 CG2 VAL A 15 -14.377 0.215 -13.403 1.00 0.00 C ATOM 0 H VAL A 15 -14.181 -1.963 -12.689 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.751 -1.355 -13.707 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.116 -1.009 -15.153 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.202 1.108 -15.837 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.206 -0.296 -16.272 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.627 0.694 -14.854 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.774 1.034 -13.795 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.199 0.620 -12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.757 -0.423 -12.773 1.00 0.00 H new ATOM 240 N ILE A 16 -15.231 -3.895 -15.021 1.00 0.00 N ATOM 241 CA ILE A 16 -15.351 -4.977 -15.977 1.00 0.00 C ATOM 242 C ILE A 16 -16.647 -5.738 -15.734 1.00 0.00 C ATOM 243 O ILE A 16 -17.535 -5.742 -16.584 1.00 0.00 O ATOM 244 CB ILE A 16 -14.147 -5.905 -15.849 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.942 -5.274 -16.541 1.00 0.00 C ATOM 246 CG2 ILE A 16 -14.465 -7.246 -16.505 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.661 -5.927 -16.028 1.00 0.00 C ATOM 0 H ILE A 16 -14.509 -4.038 -14.315 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.374 -4.572 -16.989 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.920 -6.061 -14.794 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.021 -5.402 -17.621 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.919 -4.201 -16.348 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.605 -7.909 -16.413 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -15.325 -7.698 -16.011 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.692 -7.090 -17.560 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.800 -5.477 -16.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.582 -5.776 -14.951 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.685 -6.995 -16.244 1.00 0.00 H new ATOM 259 N ALA A 17 -16.754 -6.382 -14.570 1.00 0.00 N ATOM 260 CA ALA A 17 -17.939 -7.142 -14.222 1.00 0.00 C ATOM 261 C ALA A 17 -19.180 -6.289 -14.440 1.00 0.00 C ATOM 262 O ALA A 17 -20.223 -6.798 -14.846 1.00 0.00 O ATOM 263 CB ALA A 17 -17.842 -7.595 -12.768 1.00 0.00 C ATOM 0 H ALA A 17 -16.027 -6.387 -13.855 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.012 -8.023 -14.859 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.732 -8.166 -12.505 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -16.958 -8.220 -12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.766 -6.722 -12.119 1.00 0.00 H new ATOM 269 N MET A 18 -19.067 -4.986 -14.169 1.00 0.00 N ATOM 270 CA MET A 18 -20.179 -4.073 -14.335 1.00 0.00 C ATOM 271 C MET A 18 -20.614 -4.046 -15.794 1.00 0.00 C ATOM 272 O MET A 18 -21.755 -4.373 -16.112 1.00 0.00 O ATOM 273 CB MET A 18 -19.767 -2.680 -13.869 1.00 0.00 C ATOM 274 CG MET A 18 -20.095 -2.522 -12.387 1.00 0.00 C ATOM 275 SD MET A 18 -20.273 -0.801 -11.853 1.00 0.00 S ATOM 276 CE MET A 18 -21.208 -0.156 -13.263 1.00 0.00 C ATOM 0 H MET A 18 -18.210 -4.547 -13.833 1.00 0.00 H new ATOM 0 HA MET A 18 -21.022 -4.410 -13.732 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.700 -2.530 -14.034 1.00 0.00 H new ATOM 0 HB3 MET A 18 -20.289 -1.921 -14.451 1.00 0.00 H new ATOM 0 HG2 MET A 18 -21.020 -3.056 -12.171 1.00 0.00 H new ATOM 0 HG3 MET A 18 -19.309 -2.995 -11.799 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.727 0.757 -12.969 1.00 0.00 H new ATOM 0 HE2 MET A 18 -20.524 0.063 -14.083 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.937 -0.899 -13.587 1.00 0.00 H new ATOM 656 N THR B 103 -8.707 -4.662 5.871 1.00 0.00 N ATOM 657 CA THR B 103 -8.933 -4.586 4.442 1.00 0.00 C ATOM 658 C THR B 103 -10.015 -3.559 4.142 1.00 0.00 C ATOM 659 O THR B 103 -9.996 -2.919 3.093 1.00 0.00 O ATOM 660 CB THR B 103 -9.333 -5.962 3.917 1.00 0.00 C ATOM 661 OG1 THR B 103 -8.284 -6.876 4.149 1.00 0.00 O ATOM 662 CG2 THR B 103 -9.608 -5.874 2.418 1.00 0.00 C ATOM 0 HA THR B 103 -8.016 -4.273 3.943 1.00 0.00 H new ATOM 0 HB THR B 103 -10.232 -6.301 4.432 1.00 0.00 H new ATOM 0 HG1 THR B 103 -7.940 -6.755 5.059 1.00 0.00 H new ATOM 0 HG21 THR B 103 -9.894 -6.856 2.042 1.00 0.00 H new ATOM 0 HG22 THR B 103 -10.418 -5.167 2.238 1.00 0.00 H new ATOM 0 HG23 THR B 103 -8.709 -5.536 1.902 1.00 0.00 H new ATOM 670 N ASN B 104 -10.962 -3.403 5.070 1.00 0.00 N ATOM 671 CA ASN B 104 -12.046 -2.456 4.902 1.00 0.00 C ATOM 672 C ASN B 104 -11.509 -1.146 4.341 1.00 0.00 C ATOM 673 O ASN B 104 -12.033 -0.626 3.359 1.00 0.00 O ATOM 674 CB ASN B 104 -12.733 -2.227 6.245 1.00 0.00 C ATOM 675 CG ASN B 104 -11.924 -1.274 7.113 1.00 0.00 C ATOM 676 OD1 ASN B 104 -10.751 -1.521 7.384 1.00 0.00 O ATOM 677 ND2 ASN B 104 -12.554 -0.179 7.548 1.00 0.00 N ATOM 0 H ASN B 104 -10.992 -3.926 5.945 1.00 0.00 H new ATOM 0 HA ASN B 104 -12.775 -2.856 4.198 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -13.731 -1.819 6.083 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -12.858 -3.179 6.761 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -12.060 0.496 8.132 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -13.529 -0.018 7.296 1.00 0.00 H new ATOM 684 N LEU B 105 -10.458 -0.615 4.971 1.00 0.00 N ATOM 685 CA LEU B 105 -9.854 0.628 4.535 1.00 0.00 C ATOM 686 C LEU B 105 -9.721 0.634 3.018 1.00 0.00 C ATOM 687 O LEU B 105 -10.076 1.612 2.364 1.00 0.00 O ATOM 688 CB LEU B 105 -8.489 0.790 5.198 1.00 0.00 C ATOM 689 CG LEU B 105 -8.661 1.452 6.562 1.00 0.00 C ATOM 690 CD1 LEU B 105 -7.292 1.672 7.197 1.00 0.00 C ATOM 691 CD2 LEU B 105 -9.365 2.795 6.390 1.00 0.00 C ATOM 0 H LEU B 105 -10.013 -1.035 5.787 1.00 0.00 H new ATOM 0 HA LEU B 105 -10.487 1.466 4.827 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -8.010 -0.183 5.312 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -7.836 1.395 4.568 1.00 0.00 H new ATOM 0 HG LEU B 105 -9.260 0.808 7.206 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -7.415 2.145 8.171 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -6.790 0.713 7.320 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -6.692 2.316 6.554 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -9.488 3.269 7.364 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -8.767 3.440 5.746 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -10.344 2.637 5.937 1.00 0.00 H new ATOM 703 N GLU B 106 -9.206 -0.464 2.459 1.00 0.00 N ATOM 704 CA GLU B 106 -9.030 -0.578 1.025 1.00 0.00 C ATOM 705 C GLU B 106 -10.387 -0.595 0.336 1.00 0.00 C ATOM 706 O GLU B 106 -10.519 -0.129 -0.794 1.00 0.00 O ATOM 707 CB GLU B 106 -8.248 -1.850 0.710 1.00 0.00 C ATOM 708 CG GLU B 106 -6.794 -1.671 1.135 1.00 0.00 C ATOM 709 CD GLU B 106 -6.705 -1.015 2.505 1.00 0.00 C ATOM 710 OE1 GLU B 106 -6.997 -1.722 3.494 1.00 0.00 O ATOM 711 OE2 GLU B 106 -6.347 0.182 2.539 1.00 0.00 O ATOM 0 H GLU B 106 -8.906 -1.284 2.986 1.00 0.00 H new ATOM 0 HA GLU B 106 -8.469 0.280 0.655 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.689 -2.699 1.232 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -8.302 -2.068 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -6.296 -2.640 1.159 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -6.269 -1.061 0.400 1.00 0.00 H new ATOM 719 N ILE B 107 -11.399 -1.133 1.022 1.00 0.00 N ATOM 720 CA ILE B 107 -12.740 -1.207 0.478 1.00 0.00 C ATOM 721 C ILE B 107 -13.294 0.197 0.282 1.00 0.00 C ATOM 722 O ILE B 107 -14.079 0.434 -0.634 1.00 0.00 O ATOM 723 CB ILE B 107 -13.627 -2.013 1.422 1.00 0.00 C ATOM 724 CG1 ILE B 107 -12.926 -3.318 1.790 1.00 0.00 C ATOM 725 CG2 ILE B 107 -14.952 -2.325 0.732 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.934 -4.279 2.413 1.00 0.00 C ATOM 0 H ILE B 107 -11.305 -1.523 1.960 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.718 -1.706 -0.491 1.00 0.00 H new ATOM 0 HB ILE B 107 -13.815 -1.434 2.326 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.480 -3.767 0.902 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -12.114 -3.122 2.490 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.586 -2.901 1.406 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -15.453 -1.394 0.469 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.764 -2.904 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.434 -5.211 2.676 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -14.359 -3.829 3.311 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.731 -4.484 1.698 1.00 0.00 H new ATOM 738 N ILE B 108 -12.885 1.129 1.146 1.00 0.00 N ATOM 739 CA ILE B 108 -13.339 2.503 1.065 1.00 0.00 C ATOM 740 C ILE B 108 -12.629 3.213 -0.079 1.00 0.00 C ATOM 741 O ILE B 108 -13.254 3.955 -0.833 1.00 0.00 O ATOM 742 CB ILE B 108 -13.069 3.207 2.392 1.00 0.00 C ATOM 743 CG1 ILE B 108 -14.091 2.750 3.428 1.00 0.00 C ATOM 744 CG2 ILE B 108 -13.180 4.716 2.198 1.00 0.00 C ATOM 745 CD1 ILE B 108 -13.535 2.988 4.830 1.00 0.00 C ATOM 0 H ILE B 108 -12.236 0.947 1.911 1.00 0.00 H new ATOM 0 HA ILE B 108 -14.411 2.526 0.870 1.00 0.00 H new ATOM 0 HB ILE B 108 -12.066 2.958 2.738 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -15.025 3.296 3.298 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -14.317 1.693 3.290 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -12.987 5.220 3.145 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -12.449 5.042 1.458 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -14.183 4.966 1.852 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -14.265 2.662 5.571 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -12.612 2.422 4.956 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -13.331 4.050 4.965 1.00 0.00 H new ATOM 757 N ILE B 109 -11.320 2.984 -0.206 1.00 0.00 N ATOM 758 CA ILE B 109 -10.532 3.599 -1.255 1.00 0.00 C ATOM 759 C ILE B 109 -10.835 2.928 -2.587 1.00 0.00 C ATOM 760 O ILE B 109 -10.709 3.549 -3.640 1.00 0.00 O ATOM 761 CB ILE B 109 -9.050 3.481 -0.913 1.00 0.00 C ATOM 762 CG1 ILE B 109 -8.727 4.386 0.273 1.00 0.00 C ATOM 763 CG2 ILE B 109 -8.215 3.904 -2.118 1.00 0.00 C ATOM 764 CD1 ILE B 109 -7.412 3.942 0.908 1.00 0.00 C ATOM 0 H ILE B 109 -10.789 2.372 0.413 1.00 0.00 H new ATOM 0 HA ILE B 109 -10.788 4.655 -1.337 1.00 0.00 H new ATOM 0 HB ILE B 109 -8.818 2.448 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -8.653 5.422 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -9.531 4.342 1.008 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -7.156 3.820 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -8.445 3.258 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -8.447 4.937 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -7.181 4.588 1.755 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -7.504 2.912 1.252 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -6.611 4.009 0.171 1.00 0.00 H new ATOM 776 N LEU B 110 -11.235 1.655 -2.539 1.00 0.00 N ATOM 777 CA LEU B 110 -11.553 0.907 -3.739 1.00 0.00 C ATOM 778 C LEU B 110 -12.982 1.205 -4.170 1.00 0.00 C ATOM 779 O LEU B 110 -13.254 1.373 -5.357 1.00 0.00 O ATOM 780 CB LEU B 110 -11.369 -0.584 -3.472 1.00 0.00 C ATOM 781 CG LEU B 110 -9.881 -0.923 -3.483 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.704 -2.439 -3.489 1.00 0.00 C ATOM 783 CD2 LEU B 110 -9.233 -0.329 -4.730 1.00 0.00 C ATOM 0 H LEU B 110 -11.344 1.126 -1.674 1.00 0.00 H new ATOM 0 HA LEU B 110 -10.882 1.204 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -11.806 -0.849 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -11.891 -1.167 -4.230 1.00 0.00 H new ATOM 0 HG LEU B 110 -9.407 -0.506 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.641 -2.681 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -10.166 -2.863 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -10.178 -2.857 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.170 -0.571 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.707 -0.745 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.359 0.754 -4.725 1.00 0.00 H new ATOM 795 N GLU B 111 -13.897 1.270 -3.200 1.00 0.00 N ATOM 796 CA GLU B 111 -15.291 1.548 -3.485 1.00 0.00 C ATOM 797 C GLU B 111 -15.418 2.889 -4.194 1.00 0.00 C ATOM 798 O GLU B 111 -16.085 2.993 -5.221 1.00 0.00 O ATOM 799 CB GLU B 111 -16.085 1.548 -2.182 1.00 0.00 C ATOM 800 CG GLU B 111 -16.469 0.116 -1.821 1.00 0.00 C ATOM 801 CD GLU B 111 -17.582 -0.392 -2.726 1.00 0.00 C ATOM 802 OE1 GLU B 111 -17.405 -1.503 -3.272 1.00 0.00 O ATOM 803 OE2 GLU B 111 -18.587 0.338 -2.854 1.00 0.00 O ATOM 0 H GLU B 111 -13.689 1.132 -2.211 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.692 0.775 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -15.491 1.989 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -16.981 2.160 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.597 -0.532 -1.911 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.792 0.073 -0.781 1.00 0.00 H new ATOM 811 N GLY B 112 -14.774 3.920 -3.642 1.00 0.00 N ATOM 812 CA GLY B 112 -14.819 5.246 -4.224 1.00 0.00 C ATOM 813 C GLY B 112 -14.035 5.276 -5.529 1.00 0.00 C ATOM 814 O GLY B 112 -14.588 5.579 -6.584 1.00 0.00 O ATOM 0 H GLY B 112 -14.216 3.853 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -15.854 5.536 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -14.403 5.972 -3.525 1.00 0.00 H new ATOM 818 N THR B 113 -12.740 4.961 -5.454 1.00 0.00 N ATOM 819 CA THR B 113 -11.889 4.953 -6.627 1.00 0.00 C ATOM 820 C THR B 113 -12.557 4.170 -7.747 1.00 0.00 C ATOM 821 O THR B 113 -12.451 4.536 -8.916 1.00 0.00 O ATOM 822 CB THR B 113 -10.538 4.340 -6.270 1.00 0.00 C ATOM 823 OG1 THR B 113 -9.842 5.209 -5.404 1.00 0.00 O ATOM 824 CG2 THR B 113 -9.723 4.130 -7.542 1.00 0.00 C ATOM 0 H THR B 113 -12.265 4.709 -4.587 1.00 0.00 H new ATOM 0 HA THR B 113 -11.731 5.975 -6.971 1.00 0.00 H new ATOM 0 HB THR B 113 -10.693 3.381 -5.775 1.00 0.00 H new ATOM 0 HG1 THR B 113 -9.931 4.891 -4.481 1.00 0.00 H new ATOM 0 HG21 THR B 113 -8.758 3.692 -7.288 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.261 3.459 -8.212 1.00 0.00 H new ATOM 0 HG23 THR B 113 -9.567 5.089 -8.037 1.00 0.00 H new ATOM 832 N ALA B 114 -13.250 3.087 -7.386 1.00 0.00 N ATOM 833 CA ALA B 114 -13.931 2.256 -8.359 1.00 0.00 C ATOM 834 C ALA B 114 -14.967 3.082 -9.107 1.00 0.00 C ATOM 835 O ALA B 114 -14.867 3.259 -10.319 1.00 0.00 O ATOM 836 CB ALA B 114 -14.590 1.078 -7.647 1.00 0.00 C ATOM 0 H ALA B 114 -13.349 2.771 -6.421 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.212 1.871 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.103 0.452 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -13.828 0.489 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.311 1.450 -6.919 1.00 0.00 H new ATOM 842 N VAL B 115 -15.966 3.589 -8.380 1.00 0.00 N ATOM 843 CA VAL B 115 -17.015 4.392 -8.976 1.00 0.00 C ATOM 844 C VAL B 115 -16.422 5.673 -9.545 1.00 0.00 C ATOM 845 O VAL B 115 -17.021 6.304 -10.413 1.00 0.00 O ATOM 846 CB VAL B 115 -18.074 4.707 -7.923 1.00 0.00 C ATOM 847 CG1 VAL B 115 -19.363 5.143 -8.613 1.00 0.00 C ATOM 848 CG2 VAL B 115 -18.342 3.461 -7.083 1.00 0.00 C ATOM 0 H VAL B 115 -16.063 3.452 -7.374 1.00 0.00 H new ATOM 0 HA VAL B 115 -17.484 3.839 -9.790 1.00 0.00 H new ATOM 0 HB VAL B 115 -17.718 5.510 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -20.120 5.368 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -19.172 6.033 -9.213 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -19.720 4.340 -9.258 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -19.098 3.685 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -18.698 2.657 -7.728 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -17.421 3.149 -6.590 1.00 0.00 H new ATOM 858 N ILE B 116 -15.241 6.055 -9.054 1.00 0.00 N ATOM 859 CA ILE B 116 -14.571 7.255 -9.515 1.00 0.00 C ATOM 860 C ILE B 116 -14.061 7.047 -10.934 1.00 0.00 C ATOM 861 O ILE B 116 -14.515 7.713 -11.862 1.00 0.00 O ATOM 862 CB ILE B 116 -13.421 7.590 -8.569 1.00 0.00 C ATOM 863 CG1 ILE B 116 -13.974 8.245 -7.307 1.00 0.00 C ATOM 864 CG2 ILE B 116 -12.458 8.551 -9.261 1.00 0.00 C ATOM 865 CD1 ILE B 116 -12.940 8.148 -6.189 1.00 0.00 C ATOM 0 H ILE B 116 -14.733 5.542 -8.333 1.00 0.00 H new ATOM 0 HA ILE B 116 -15.272 8.089 -9.521 1.00 0.00 H new ATOM 0 HB ILE B 116 -12.892 6.675 -8.301 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.217 9.289 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -14.899 7.754 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -11.636 8.791 -8.586 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.063 8.083 -10.163 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -12.987 9.466 -9.529 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.334 8.616 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -12.719 7.100 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.026 8.659 -6.493 1.00 0.00 H new ATOM 877 N ALA B 117 -13.115 6.120 -11.100 1.00 0.00 N ATOM 878 CA ALA B 117 -12.549 5.831 -12.402 1.00 0.00 C ATOM 879 C ALA B 117 -13.665 5.596 -13.409 1.00 0.00 C ATOM 880 O ALA B 117 -13.542 5.965 -14.575 1.00 0.00 O ATOM 881 CB ALA B 117 -11.644 4.606 -12.302 1.00 0.00 C ATOM 0 H ALA B 117 -12.729 5.559 -10.340 1.00 0.00 H new ATOM 0 HA ALA B 117 -11.954 6.679 -12.741 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -11.218 4.388 -13.281 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -10.841 4.804 -11.592 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -12.227 3.750 -11.961 1.00 0.00 H new ATOM 887 N MET B 118 -14.759 4.979 -12.957 1.00 0.00 N ATOM 888 CA MET B 118 -15.889 4.698 -13.820 1.00 0.00 C ATOM 889 C MET B 118 -16.475 6.000 -14.348 1.00 0.00 C ATOM 890 O MET B 118 -16.514 6.223 -15.556 1.00 0.00 O ATOM 891 CB MET B 118 -16.939 3.910 -13.042 1.00 0.00 C ATOM 892 CG MET B 118 -16.676 2.415 -13.203 1.00 0.00 C ATOM 893 SD MET B 118 -18.130 1.378 -12.912 1.00 0.00 S ATOM 894 CE MET B 118 -19.375 2.377 -13.766 1.00 0.00 C ATOM 0 H MET B 118 -14.878 4.667 -11.993 1.00 0.00 H new ATOM 0 HA MET B 118 -15.560 4.101 -14.670 1.00 0.00 H new ATOM 0 HB2 MET B 118 -16.907 4.184 -11.988 1.00 0.00 H new ATOM 0 HB3 MET B 118 -17.937 4.156 -13.405 1.00 0.00 H new ATOM 0 HG2 MET B 118 -16.305 2.228 -14.211 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.887 2.119 -12.512 1.00 0.00 H new ATOM 0 HE1 MET B 118 -20.286 1.792 -13.894 1.00 0.00 H new ATOM 0 HE2 MET B 118 -19.595 3.267 -13.176 1.00 0.00 H new ATOM 0 HE3 MET B 118 -18.995 2.675 -14.743 1.00 0.00 H new ATOM 1274 N THR C 203 -6.496 -12.448 -1.229 1.00 0.00 N ATOM 1275 CA THR C 203 -7.069 -11.155 -1.546 1.00 0.00 C ATOM 1276 C THR C 203 -8.341 -11.337 -2.362 1.00 0.00 C ATOM 1277 O THR C 203 -9.262 -10.529 -2.271 1.00 0.00 O ATOM 1278 CB THR C 203 -6.048 -10.322 -2.314 1.00 0.00 C ATOM 1279 OG1 THR C 203 -4.910 -10.112 -1.508 1.00 0.00 O ATOM 1280 CG2 THR C 203 -6.664 -8.976 -2.684 1.00 0.00 C ATOM 0 HA THR C 203 -7.326 -10.633 -0.625 1.00 0.00 H new ATOM 0 HB THR C 203 -5.758 -10.851 -3.222 1.00 0.00 H new ATOM 0 HG1 THR C 203 -4.744 -10.909 -0.962 1.00 0.00 H new ATOM 0 HG21 THR C 203 -5.934 -8.381 -3.233 1.00 0.00 H new ATOM 0 HG22 THR C 203 -7.543 -9.137 -3.307 1.00 0.00 H new ATOM 0 HG23 THR C 203 -6.955 -8.447 -1.776 1.00 0.00 H new ATOM 1288 N ASN C 204 -8.388 -12.404 -3.162 1.00 0.00 N ATOM 1289 CA ASN C 204 -9.544 -12.687 -3.989 1.00 0.00 C ATOM 1290 C ASN C 204 -10.820 -12.456 -3.193 1.00 0.00 C ATOM 1291 O ASN C 204 -11.725 -11.761 -3.651 1.00 0.00 O ATOM 1292 CB ASN C 204 -9.471 -14.128 -4.486 1.00 0.00 C ATOM 1293 CG ASN C 204 -9.908 -15.100 -3.400 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -9.350 -15.103 -2.306 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -10.912 -15.926 -3.705 1.00 0.00 N ATOM 0 H ASN C 204 -7.632 -13.083 -3.249 1.00 0.00 H new ATOM 0 HA ASN C 204 -9.552 -12.018 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -10.107 -14.247 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -8.452 -14.358 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -11.247 -16.598 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -11.344 -15.885 -4.628 1.00 0.00 H new ATOM 1302 N LEU C 205 -10.891 -13.042 -1.996 1.00 0.00 N ATOM 1303 CA LEU C 205 -12.053 -12.898 -1.141 1.00 0.00 C ATOM 1304 C LEU C 205 -12.515 -11.448 -1.137 1.00 0.00 C ATOM 1305 O LEU C 205 -13.702 -11.171 -1.294 1.00 0.00 O ATOM 1306 CB LEU C 205 -11.704 -13.358 0.272 1.00 0.00 C ATOM 1307 CG LEU C 205 -11.915 -14.865 0.383 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -11.629 -15.315 1.813 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -13.359 -15.204 0.021 1.00 0.00 C ATOM 0 H LEU C 205 -10.150 -13.622 -1.603 1.00 0.00 H new ATOM 0 HA LEU C 205 -12.867 -13.516 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -10.669 -13.107 0.502 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -12.327 -12.838 1.000 1.00 0.00 H new ATOM 0 HG LEU C 205 -11.239 -15.378 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -11.780 -16.392 1.893 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -10.598 -15.073 2.071 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -12.305 -14.802 2.498 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -13.511 -16.280 0.100 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -14.036 -14.691 0.705 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -13.563 -14.883 -1.000 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.572 -10.520 -0.957 1.00 0.00 N ATOM 1322 CA GLU C 206 -11.888 -9.106 -0.935 1.00 0.00 C ATOM 1323 C GLU C 206 -12.376 -8.662 -2.307 1.00 0.00 C ATOM 1324 O GLU C 206 -13.195 -7.752 -2.414 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.651 -8.316 -0.519 1.00 0.00 C ATOM 1326 CG GLU C 206 -10.379 -8.541 0.965 1.00 0.00 C ATOM 1327 CD GLU C 206 -10.529 -10.012 1.328 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -9.620 -10.784 0.955 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -11.550 -10.336 1.971 1.00 0.00 O ATOM 0 H GLU C 206 -10.583 -10.732 -0.825 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.683 -8.919 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -9.790 -8.630 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.801 -7.254 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -9.372 -8.203 1.210 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -11.069 -7.943 1.560 1.00 0.00 H new ATOM 1337 N ILE C 207 -11.868 -9.309 -3.359 1.00 0.00 N ATOM 1338 CA ILE C 207 -12.252 -8.983 -4.718 1.00 0.00 C ATOM 1339 C ILE C 207 -13.728 -9.294 -4.925 1.00 0.00 C ATOM 1340 O ILE C 207 -14.403 -8.622 -5.701 1.00 0.00 O ATOM 1341 CB ILE C 207 -11.389 -9.777 -5.694 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -9.920 -9.634 -5.308 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -11.597 -9.241 -7.108 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -9.042 -10.099 -6.466 1.00 0.00 C ATOM 0 H ILE C 207 -11.187 -10.064 -3.286 1.00 0.00 H new ATOM 0 HA ILE C 207 -12.097 -7.920 -4.899 1.00 0.00 H new ATOM 0 HB ILE C 207 -11.673 -10.829 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -9.697 -8.596 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -9.708 -10.225 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -10.981 -9.808 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -12.646 -9.343 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -11.313 -8.189 -7.144 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -7.992 -9.997 -6.191 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -9.258 -11.144 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -9.247 -9.489 -7.346 1.00 0.00 H new ATOM 1356 N ILE C 208 -14.228 -10.317 -4.227 1.00 0.00 N ATOM 1357 CA ILE C 208 -15.618 -10.712 -4.335 1.00 0.00 C ATOM 1358 C ILE C 208 -16.493 -9.729 -3.570 1.00 0.00 C ATOM 1359 O ILE C 208 -17.550 -9.329 -4.054 1.00 0.00 O ATOM 1360 CB ILE C 208 -15.789 -12.127 -3.790 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -15.247 -13.132 -4.803 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -17.269 -12.402 -3.542 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -14.903 -14.437 -4.091 1.00 0.00 C ATOM 0 H ILE C 208 -13.680 -10.884 -3.580 1.00 0.00 H new ATOM 0 HA ILE C 208 -15.923 -10.702 -5.381 1.00 0.00 H new ATOM 0 HB ILE C 208 -15.240 -12.224 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -15.987 -13.315 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -14.361 -12.728 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -17.391 -13.413 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -17.656 -11.685 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -17.819 -12.305 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -14.516 -15.155 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -14.148 -14.247 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -15.799 -14.842 -3.621 1.00 0.00 H new ATOM 1375 N ILE C 209 -16.051 -9.340 -2.371 1.00 0.00 N ATOM 1376 CA ILE C 209 -16.792 -8.407 -1.547 1.00 0.00 C ATOM 1377 C ILE C 209 -16.660 -7.001 -2.114 1.00 0.00 C ATOM 1378 O ILE C 209 -17.545 -6.169 -1.928 1.00 0.00 O ATOM 1379 CB ILE C 209 -16.265 -8.465 -0.115 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.655 -9.798 0.517 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -16.869 -7.321 0.695 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.768 -10.064 1.730 1.00 0.00 C ATOM 0 H ILE C 209 -15.178 -9.664 -1.956 1.00 0.00 H new ATOM 0 HA ILE C 209 -17.848 -8.678 -1.543 1.00 0.00 H new ATOM 0 HB ILE C 209 -15.179 -8.371 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -17.703 -9.778 0.817 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -16.547 -10.603 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.494 -7.361 1.718 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -16.591 -6.369 0.243 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -17.955 -7.415 0.703 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -16.046 -11.016 2.182 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.725 -10.102 1.417 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -15.899 -9.264 2.459 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.551 -6.737 -2.810 1.00 0.00 N ATOM 1395 CA LEU C 210 -15.310 -5.436 -3.400 1.00 0.00 C ATOM 1396 C LEU C 210 -16.021 -5.338 -4.743 1.00 0.00 C ATOM 1397 O LEU C 210 -16.612 -4.309 -5.062 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.808 -5.224 -3.567 1.00 0.00 C ATOM 1399 CG LEU C 210 -13.189 -4.885 -2.215 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.753 -4.408 -2.417 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -14.002 -3.780 -1.545 1.00 0.00 C ATOM 0 H LEU C 210 -14.808 -7.417 -2.974 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.703 -4.658 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.346 -6.123 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.620 -4.419 -4.277 1.00 0.00 H new ATOM 0 HG LEU C 210 -13.191 -5.773 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.311 -4.166 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -11.172 -5.196 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.750 -3.521 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.560 -3.538 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -14.000 -2.892 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -15.027 -4.120 -1.400 1.00 0.00 H new ATOM 1413 N GLU C 211 -15.962 -6.415 -5.530 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.600 -6.443 -6.831 1.00 0.00 C ATOM 1415 C GLU C 211 -18.093 -6.184 -6.683 1.00 0.00 C ATOM 1416 O GLU C 211 -18.655 -5.347 -7.386 1.00 0.00 O ATOM 1417 CB GLU C 211 -16.350 -7.797 -7.489 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.991 -7.781 -8.184 1.00 0.00 C ATOM 1419 CD GLU C 211 -15.045 -6.954 -9.461 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -14.157 -6.088 -9.613 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -15.972 -7.204 -10.261 1.00 0.00 O ATOM 0 H GLU C 211 -15.476 -7.276 -5.281 1.00 0.00 H new ATOM 0 HA GLU C 211 -16.178 -5.661 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -16.378 -8.588 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -17.137 -8.014 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -14.238 -7.370 -7.511 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -14.686 -8.801 -8.419 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.735 -6.905 -5.761 1.00 0.00 N ATOM 1430 CA GLY C 212 -20.157 -6.747 -5.527 1.00 0.00 C ATOM 1431 C GLY C 212 -20.437 -5.403 -4.870 1.00 0.00 C ATOM 1432 O GLY C 212 -21.168 -4.580 -5.417 1.00 0.00 O ATOM 0 H GLY C 212 -18.285 -7.602 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.698 -6.818 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -20.520 -7.554 -4.890 1.00 0.00 H new ATOM 1436 N THR C 213 -19.853 -5.182 -3.691 1.00 0.00 N ATOM 1437 CA THR C 213 -20.042 -3.940 -2.968 1.00 0.00 C ATOM 1438 C THR C 213 -19.814 -2.758 -3.899 1.00 0.00 C ATOM 1439 O THR C 213 -20.504 -1.745 -3.803 1.00 0.00 O ATOM 1440 CB THR C 213 -19.080 -3.889 -1.785 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.461 -4.851 -0.827 1.00 0.00 O ATOM 1442 CG2 THR C 213 -19.121 -2.500 -1.155 1.00 0.00 C ATOM 0 H THR C 213 -19.245 -5.854 -3.222 1.00 0.00 H new ATOM 0 HA THR C 213 -21.064 -3.888 -2.592 1.00 0.00 H new ATOM 0 HB THR C 213 -18.068 -4.101 -2.131 1.00 0.00 H new ATOM 0 HG1 THR C 213 -18.832 -5.603 -0.850 1.00 0.00 H new ATOM 0 HG21 THR C 213 -18.434 -2.463 -0.310 1.00 0.00 H new ATOM 0 HG22 THR C 213 -18.826 -1.756 -1.895 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.133 -2.287 -0.810 1.00 0.00 H new ATOM 1450 N ALA C 214 -18.842 -2.890 -4.804 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.526 -1.836 -5.747 1.00 0.00 C ATOM 1452 C ALA C 214 -19.744 -1.531 -6.607 1.00 0.00 C ATOM 1453 O ALA C 214 -20.273 -0.423 -6.566 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.346 -2.268 -6.614 1.00 0.00 C ATOM 0 H ALA C 214 -18.262 -3.724 -4.897 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.251 -0.930 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.107 -1.476 -7.324 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.480 -2.461 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.607 -3.176 -7.158 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.188 -2.520 -7.386 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.339 -2.353 -8.251 1.00 0.00 C ATOM 1462 C VAL C 215 -22.582 -2.096 -7.410 1.00 0.00 C ATOM 1463 O VAL C 215 -23.567 -1.553 -7.905 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.516 -3.604 -9.108 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.409 -3.280 -10.302 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -20.153 -4.075 -9.605 1.00 0.00 C ATOM 0 H VAL C 215 -19.760 -3.445 -7.429 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.185 -1.497 -8.908 1.00 0.00 H new ATOM 0 HB VAL C 215 -21.978 -4.391 -8.512 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -22.536 -4.173 -10.914 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.383 -2.942 -9.947 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -21.947 -2.493 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -20.278 -4.968 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.691 -3.288 -10.201 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.515 -4.306 -8.752 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.533 -2.486 -6.134 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.649 -2.295 -5.231 1.00 0.00 C ATOM 1478 C ILE C 216 -23.803 -0.816 -4.907 1.00 0.00 C ATOM 1479 O ILE C 216 -24.809 -0.204 -5.258 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.419 -3.107 -3.959 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -23.738 -4.575 -4.227 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.327 -2.583 -2.850 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -23.077 -5.442 -3.159 1.00 0.00 C ATOM 0 H ILE C 216 -21.723 -2.938 -5.710 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.568 -2.640 -5.705 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.378 -3.012 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -24.817 -4.731 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.380 -4.861 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.163 -3.162 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.099 -1.535 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.368 -2.677 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -23.304 -6.491 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -21.997 -5.294 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.456 -5.161 -2.176 1.00 0.00 H new ATOM 1495 N ALA C 217 -22.801 -0.242 -4.236 1.00 0.00 N ATOM 1496 CA ALA C 217 -22.831 1.159 -3.870 1.00 0.00 C ATOM 1497 C ALA C 217 -23.167 2.004 -5.090 1.00 0.00 C ATOM 1498 O ALA C 217 -23.853 3.018 -4.977 1.00 0.00 O ATOM 1499 CB ALA C 217 -21.478 1.561 -3.290 1.00 0.00 C ATOM 0 H ALA C 217 -21.960 -0.736 -3.938 1.00 0.00 H new ATOM 0 HA ALA C 217 -23.599 1.325 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -21.499 2.615 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.268 0.959 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -20.699 1.396 -4.035 1.00 0.00 H new ATOM 1505 N MET C 218 -22.681 1.585 -6.260 1.00 0.00 N ATOM 1506 CA MET C 218 -22.931 2.306 -7.492 1.00 0.00 C ATOM 1507 C MET C 218 -24.425 2.339 -7.779 1.00 0.00 C ATOM 1508 O MET C 218 -25.022 3.410 -7.862 1.00 0.00 O ATOM 1509 CB MET C 218 -22.176 1.634 -8.636 1.00 0.00 C ATOM 1510 CG MET C 218 -20.790 2.259 -8.767 1.00 0.00 C ATOM 1511 SD MET C 218 -20.046 2.057 -10.404 1.00 0.00 S ATOM 1512 CE MET C 218 -21.503 2.384 -11.427 1.00 0.00 C ATOM 0 H MET C 218 -22.111 0.746 -6.372 1.00 0.00 H new ATOM 0 HA MET C 218 -22.578 3.333 -7.394 1.00 0.00 H new ATOM 0 HB2 MET C 218 -22.088 0.564 -8.449 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.729 1.750 -9.568 1.00 0.00 H new ATOM 0 HG2 MET C 218 -20.859 3.323 -8.539 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.130 1.815 -8.022 1.00 0.00 H new ATOM 0 HE1 MET C 218 -21.192 2.567 -12.455 1.00 0.00 H new ATOM 0 HE2 MET C 218 -22.169 1.522 -11.398 1.00 0.00 H new ATOM 0 HE3 MET C 218 -22.027 3.260 -11.045 1.00 0.00 H new