USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 935 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 133 SER OG : rot 110:sc= -0.474 USER MOD Set 2.1: A 101 GLN :FLIP amide:sc= 0.55 F(o=-0.55,f=0.86) USER MOD Set 2.2: A 103 THR OG1 : rot -87:sc= 0.306 USER MOD Single : A 8 THR OG1 : rot 65:sc= 0.347 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -44:sc= 0.77 USER MOD Single : A 40 SER OG : rot 81:sc= -3.42! USER MOD Single : A 42 GLN : amide:sc= -8.48! C(o=-8.5!,f=-14!) USER MOD Single : A 43 TYR OH : rot 110:sc= -5.28! USER MOD Single : A 50 ASN : amide:sc= -2.8! C(o=-2.8!,f=-4.4!) USER MOD Single : A 58 THR OG1 : rot 109:sc= 0.168 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00841 USER MOD Single : A 60 TYR OH : rot 60:sc= -1.66! USER MOD Single : A 61 THR OG1 : rot 180:sc= -4.46! USER MOD Single : A 64 TYR OH : rot 180:sc= -0.559 USER MOD Single : A 65 THR OG1 : rot 126:sc= -1.38 USER MOD Single : A 67 THR OG1 : rot 153:sc= -2.32! USER MOD Single : A 69 SER OG : rot 180:sc= 0.111 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -10.5! C(o=-12!,f=-10!) USER MOD Single : A 81 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.16) USER MOD Single : A 85 TYR OH : rot 111:sc= 0.0951 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 67:sc= 1.09 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 112 TYR OH : rot 6:sc= -4.64! USER MOD Single : A 124 GLN :FLIP amide:sc= -0.351 F(o=-1.2,f=-0.35) USER MOD Single : A 128 GLN : amide:sc= -0.44 K(o=-0.44,f=-3.9!) USER MOD Single : A 138 THR OG1 : rot -8:sc= 0.652 USER MOD Single : A 148 SER OG : rot -78:sc= 0.201! USER MOD ----------------------------------------------------------------- ATOM 24 N PRO A 3 -9.700 7.547 6.285 1.00 0.00 N ATOM 25 CA PRO A 3 -8.569 7.058 5.466 1.00 0.00 C ATOM 26 C PRO A 3 -7.378 6.716 6.365 1.00 0.00 C ATOM 27 O PRO A 3 -7.532 6.443 7.539 1.00 0.00 O ATOM 28 CB PRO A 3 -8.250 8.243 4.556 1.00 0.00 C ATOM 29 CG PRO A 3 -8.739 9.448 5.294 1.00 0.00 C ATOM 30 CD PRO A 3 -9.858 9.001 6.199 1.00 0.00 C ATOM 0 HA PRO A 3 -8.797 6.151 4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.180 8.310 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.747 8.144 3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.932 9.896 5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.090 10.208 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.784 9.467 7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.832 9.271 5.790 1.00 0.00 H new ATOM 38 N ILE A 4 -6.192 6.727 5.825 1.00 0.00 N ATOM 39 CA ILE A 4 -4.993 6.402 6.650 1.00 0.00 C ATOM 40 C ILE A 4 -4.423 7.676 7.279 1.00 0.00 C ATOM 41 O ILE A 4 -4.053 7.696 8.436 1.00 0.00 O ATOM 42 CB ILE A 4 -3.989 5.792 5.671 1.00 0.00 C ATOM 43 CG1 ILE A 4 -3.516 6.866 4.689 1.00 0.00 C ATOM 44 CG2 ILE A 4 -4.657 4.654 4.896 1.00 0.00 C ATOM 45 CD1 ILE A 4 -2.697 6.214 3.574 1.00 0.00 C ATOM 0 H ILE A 4 -6.000 6.947 4.848 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.228 5.721 7.468 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.135 5.403 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.373 7.390 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.913 7.610 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.941 4.220 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.995 3.888 5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.512 5.043 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.360 6.979 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.832 5.710 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.314 5.487 3.046 1.00 0.00 H new ATOM 57 N GLY A 5 -4.349 8.739 6.527 1.00 0.00 N ATOM 58 CA GLY A 5 -3.802 10.009 7.084 1.00 0.00 C ATOM 59 C GLY A 5 -2.873 10.658 6.057 1.00 0.00 C ATOM 60 O GLY A 5 -1.666 10.632 6.195 1.00 0.00 O ATOM 0 H GLY A 5 -4.643 8.784 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.616 10.689 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.258 9.809 8.007 1.00 0.00 H new ATOM 64 N GLU A 6 -3.425 11.239 5.028 1.00 0.00 N ATOM 65 CA GLU A 6 -2.572 11.889 3.992 1.00 0.00 C ATOM 66 C GLU A 6 -1.444 12.682 4.656 1.00 0.00 C ATOM 67 O GLU A 6 -1.615 13.823 5.037 1.00 0.00 O ATOM 68 CB GLU A 6 -3.515 12.827 3.237 1.00 0.00 C ATOM 69 CG GLU A 6 -4.042 13.899 4.193 1.00 0.00 C ATOM 70 CD GLU A 6 -5.396 14.408 3.693 1.00 0.00 C ATOM 71 OE1 GLU A 6 -6.301 13.600 3.569 1.00 0.00 O ATOM 72 OE2 GLU A 6 -5.504 15.597 3.442 1.00 0.00 O ATOM 0 H GLU A 6 -4.430 11.292 4.859 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.101 11.163 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.990 13.294 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.346 12.262 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.145 13.487 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.333 14.724 4.258 1.00 0.00 H new ATOM 79 N GLY A 7 -0.290 12.089 4.798 1.00 0.00 N ATOM 80 CA GLY A 7 0.843 12.815 5.437 1.00 0.00 C ATOM 81 C GLY A 7 2.122 11.985 5.320 1.00 0.00 C ATOM 82 O GLY A 7 2.098 10.773 5.402 1.00 0.00 O ATOM 0 H GLY A 7 -0.083 11.136 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.982 13.784 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.618 13.007 6.486 1.00 0.00 H new ATOM 86 N THR A 8 3.241 12.631 5.132 1.00 0.00 N ATOM 87 CA THR A 8 4.524 11.882 5.011 1.00 0.00 C ATOM 88 C THR A 8 4.723 10.976 6.229 1.00 0.00 C ATOM 89 O THR A 8 4.035 11.095 7.223 1.00 0.00 O ATOM 90 CB THR A 8 5.609 12.959 4.962 1.00 0.00 C ATOM 91 OG1 THR A 8 5.537 13.754 6.138 1.00 0.00 O ATOM 92 CG2 THR A 8 5.399 13.843 3.732 1.00 0.00 C ATOM 0 H THR A 8 3.322 13.645 5.057 1.00 0.00 H new ATOM 0 HA THR A 8 4.546 11.241 4.130 1.00 0.00 H new ATOM 0 HB THR A 8 6.589 12.486 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.758 13.204 6.919 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.173 14.610 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.454 13.232 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.420 14.318 3.788 1.00 0.00 H new ATOM 100 N PHE A 9 5.660 10.071 6.159 1.00 0.00 N ATOM 101 CA PHE A 9 5.903 9.159 7.313 1.00 0.00 C ATOM 102 C PHE A 9 6.959 9.760 8.247 1.00 0.00 C ATOM 103 O PHE A 9 7.965 9.143 8.540 1.00 0.00 O ATOM 104 CB PHE A 9 6.418 7.861 6.691 1.00 0.00 C ATOM 105 CG PHE A 9 5.395 7.317 5.721 1.00 0.00 C ATOM 106 CD1 PHE A 9 4.034 7.327 6.052 1.00 0.00 C ATOM 107 CD2 PHE A 9 5.811 6.794 4.490 1.00 0.00 C ATOM 108 CE1 PHE A 9 3.091 6.814 5.151 1.00 0.00 C ATOM 109 CE2 PHE A 9 4.869 6.280 3.592 1.00 0.00 C ATOM 110 CZ PHE A 9 3.510 6.290 3.922 1.00 0.00 C ATOM 0 H PHE A 9 6.268 9.923 5.353 1.00 0.00 H new ATOM 0 HA PHE A 9 5.004 8.998 7.908 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.361 8.043 6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 9 6.618 7.127 7.472 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.712 7.730 7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.860 6.787 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.041 6.823 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.191 5.876 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.783 5.893 3.228 1.00 0.00 H new ATOM 120 N ASP A 10 6.741 10.959 8.716 1.00 0.00 N ATOM 121 CA ASP A 10 7.735 11.596 9.629 1.00 0.00 C ATOM 122 C ASP A 10 7.257 11.507 11.080 1.00 0.00 C ATOM 123 O ASP A 10 7.433 12.427 11.856 1.00 0.00 O ATOM 124 CB ASP A 10 7.810 13.054 9.176 1.00 0.00 C ATOM 125 CG ASP A 10 6.537 13.787 9.600 1.00 0.00 C ATOM 126 OD1 ASP A 10 5.582 13.764 8.841 1.00 0.00 O ATOM 127 OD2 ASP A 10 6.537 14.360 10.678 1.00 0.00 O ATOM 0 H ASP A 10 5.919 11.525 8.507 1.00 0.00 H new ATOM 0 HA ASP A 10 8.707 11.105 9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.683 13.537 9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.927 13.104 8.093 1.00 0.00 H new ATOM 132 N ASP A 11 6.659 10.402 11.449 1.00 0.00 N ATOM 133 CA ASP A 11 6.159 10.227 12.850 1.00 0.00 C ATOM 134 C ASP A 11 5.128 9.097 12.893 1.00 0.00 C ATOM 135 O ASP A 11 3.936 9.332 12.916 1.00 0.00 O ATOM 136 CB ASP A 11 5.493 11.554 13.228 1.00 0.00 C ATOM 137 CG ASP A 11 6.388 12.314 14.208 1.00 0.00 C ATOM 138 OD1 ASP A 11 7.195 11.674 14.862 1.00 0.00 O ATOM 139 OD2 ASP A 11 6.252 13.524 14.287 1.00 0.00 O ATOM 0 H ASP A 11 6.494 9.605 10.834 1.00 0.00 H new ATOM 0 HA ASP A 11 6.965 9.972 13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.322 12.155 12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.518 11.368 13.679 1.00 0.00 H new ATOM 144 N GLY A 12 5.576 7.872 12.899 1.00 0.00 N ATOM 145 CA GLY A 12 4.619 6.731 12.935 1.00 0.00 C ATOM 146 C GLY A 12 3.777 6.741 11.658 1.00 0.00 C ATOM 147 O GLY A 12 2.777 7.426 11.580 1.00 0.00 O ATOM 0 H GLY A 12 6.562 7.612 12.881 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.161 5.789 13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.974 6.809 13.811 1.00 0.00 H new ATOM 151 N PRO A 13 4.218 5.979 10.695 1.00 0.00 N ATOM 152 CA PRO A 13 3.503 5.896 9.398 1.00 0.00 C ATOM 153 C PRO A 13 2.203 5.104 9.549 1.00 0.00 C ATOM 154 O PRO A 13 2.128 3.949 9.187 1.00 0.00 O ATOM 155 CB PRO A 13 4.485 5.154 8.496 1.00 0.00 C ATOM 156 CG PRO A 13 5.347 4.364 9.428 1.00 0.00 C ATOM 157 CD PRO A 13 5.414 5.131 10.724 1.00 0.00 C ATOM 0 HA PRO A 13 3.219 6.872 9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.962 4.503 7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.079 5.850 7.903 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.930 3.370 9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.344 4.227 9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.409 4.462 11.585 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.325 5.727 10.789 1.00 0.00 H new ATOM 165 N GLU A 14 1.178 5.719 10.076 1.00 0.00 N ATOM 166 CA GLU A 14 -0.121 5.005 10.247 1.00 0.00 C ATOM 167 C GLU A 14 0.110 3.579 10.761 1.00 0.00 C ATOM 168 O GLU A 14 0.168 3.342 11.951 1.00 0.00 O ATOM 169 CB GLU A 14 -0.745 4.980 8.851 1.00 0.00 C ATOM 170 CG GLU A 14 -1.784 6.098 8.737 1.00 0.00 C ATOM 171 CD GLU A 14 -2.808 5.958 9.865 1.00 0.00 C ATOM 172 OE1 GLU A 14 -3.662 5.093 9.759 1.00 0.00 O ATOM 173 OE2 GLU A 14 -2.721 6.718 10.815 1.00 0.00 O ATOM 0 H GLU A 14 1.184 6.687 10.396 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.766 5.497 10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.028 5.108 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.214 4.013 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.295 7.071 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.283 6.048 7.769 1.00 0.00 H new ATOM 180 N GLY A 15 0.240 2.629 9.875 1.00 0.00 N ATOM 181 CA GLY A 15 0.465 1.224 10.317 1.00 0.00 C ATOM 182 C GLY A 15 1.091 0.422 9.175 1.00 0.00 C ATOM 183 O GLY A 15 0.967 -0.784 9.111 1.00 0.00 O ATOM 0 H GLY A 15 0.200 2.765 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.119 1.206 11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.480 0.771 10.618 1.00 0.00 H new ATOM 187 N TRP A 16 1.762 1.083 8.272 1.00 0.00 N ATOM 188 CA TRP A 16 2.398 0.360 7.133 1.00 0.00 C ATOM 189 C TRP A 16 3.343 -0.727 7.656 1.00 0.00 C ATOM 190 O TRP A 16 4.522 -0.497 7.834 1.00 0.00 O ATOM 191 CB TRP A 16 3.191 1.431 6.381 1.00 0.00 C ATOM 192 CG TRP A 16 2.313 2.099 5.372 1.00 0.00 C ATOM 193 CD1 TRP A 16 1.882 3.380 5.444 1.00 0.00 C ATOM 194 CD2 TRP A 16 1.759 1.550 4.142 1.00 0.00 C ATOM 195 NE1 TRP A 16 1.097 3.651 4.338 1.00 0.00 N ATOM 196 CE2 TRP A 16 0.991 2.554 3.506 1.00 0.00 C ATOM 197 CE3 TRP A 16 1.845 0.290 3.522 1.00 0.00 C ATOM 198 CZ2 TRP A 16 0.333 2.318 2.299 1.00 0.00 C ATOM 199 CZ3 TRP A 16 1.184 0.049 2.307 1.00 0.00 C ATOM 200 CH2 TRP A 16 0.429 1.061 1.697 1.00 0.00 C ATOM 0 H TRP A 16 1.898 2.094 8.273 1.00 0.00 H new ATOM 0 HA TRP A 16 1.663 -0.133 6.497 1.00 0.00 H new ATOM 0 HB2 TRP A 16 3.579 2.169 7.083 1.00 0.00 H new ATOM 0 HB3 TRP A 16 4.050 0.979 5.886 1.00 0.00 H new ATOM 0 HD1 TRP A 16 2.113 4.077 6.236 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.651 4.551 4.159 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.423 -0.497 3.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.246 3.101 1.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.257 -0.922 1.839 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -0.078 0.869 0.763 1.00 0.00 H new ATOM 211 N VAL A 17 2.843 -1.909 7.899 1.00 0.00 N ATOM 212 CA VAL A 17 3.734 -2.995 8.404 1.00 0.00 C ATOM 213 C VAL A 17 4.299 -3.788 7.223 1.00 0.00 C ATOM 214 O VAL A 17 3.648 -3.962 6.214 1.00 0.00 O ATOM 215 CB VAL A 17 2.858 -3.894 9.302 1.00 0.00 C ATOM 216 CG1 VAL A 17 1.774 -3.059 9.991 1.00 0.00 C ATOM 217 CG2 VAL A 17 2.193 -4.997 8.465 1.00 0.00 C ATOM 0 H VAL A 17 1.865 -2.169 7.771 1.00 0.00 H new ATOM 0 HA VAL A 17 4.580 -2.598 8.966 1.00 0.00 H new ATOM 0 HB VAL A 17 3.497 -4.351 10.057 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.163 -3.705 10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.243 -2.290 10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.144 -2.587 9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.578 -5.623 9.111 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.567 -4.543 7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.962 -5.608 7.992 1.00 0.00 H new ATOM 227 N ALA A 18 5.498 -4.277 7.342 1.00 0.00 N ATOM 228 CA ALA A 18 6.086 -5.063 6.225 1.00 0.00 C ATOM 229 C ALA A 18 6.647 -6.381 6.759 1.00 0.00 C ATOM 230 O ALA A 18 7.292 -6.423 7.787 1.00 0.00 O ATOM 231 CB ALA A 18 7.190 -4.179 5.656 1.00 0.00 C ATOM 0 H ALA A 18 6.096 -4.168 8.161 1.00 0.00 H new ATOM 0 HA ALA A 18 5.354 -5.322 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.674 -4.691 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.760 -3.241 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.927 -3.972 6.432 1.00 0.00 H new ATOM 237 N TYR A 19 6.387 -7.459 6.076 1.00 0.00 N ATOM 238 CA TYR A 19 6.883 -8.782 6.550 1.00 0.00 C ATOM 239 C TYR A 19 7.718 -9.467 5.464 1.00 0.00 C ATOM 240 O TYR A 19 7.723 -9.059 4.320 1.00 0.00 O ATOM 241 CB TYR A 19 5.610 -9.583 6.829 1.00 0.00 C ATOM 242 CG TYR A 19 4.668 -9.438 5.656 1.00 0.00 C ATOM 243 CD1 TYR A 19 3.753 -8.378 5.613 1.00 0.00 C ATOM 244 CD2 TYR A 19 4.718 -10.361 4.606 1.00 0.00 C ATOM 245 CE1 TYR A 19 2.890 -8.244 4.519 1.00 0.00 C ATOM 246 CE2 TYR A 19 3.855 -10.228 3.513 1.00 0.00 C ATOM 247 CZ TYR A 19 2.940 -9.170 3.469 1.00 0.00 C ATOM 248 OH TYR A 19 2.089 -9.038 2.391 1.00 0.00 O ATOM 0 H TYR A 19 5.852 -7.482 5.208 1.00 0.00 H new ATOM 0 HA TYR A 19 7.526 -8.696 7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.854 -10.633 6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.133 -9.225 7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.713 -7.665 6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.424 -11.178 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.185 -7.426 4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.895 -10.942 2.703 1.00 0.00 H new ATOM 0 HH TYR A 19 2.255 -9.762 1.752 1.00 0.00 H new ATOM 258 N GLY A 20 8.419 -10.511 5.815 1.00 0.00 N ATOM 259 CA GLY A 20 9.250 -11.230 4.807 1.00 0.00 C ATOM 260 C GLY A 20 10.509 -10.420 4.499 1.00 0.00 C ATOM 261 O GLY A 20 10.901 -10.277 3.358 1.00 0.00 O ATOM 0 H GLY A 20 8.452 -10.898 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.524 -12.215 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.675 -11.387 3.894 1.00 0.00 H new ATOM 265 N THR A 21 11.150 -9.889 5.504 1.00 0.00 N ATOM 266 CA THR A 21 12.385 -9.091 5.257 1.00 0.00 C ATOM 267 C THR A 21 13.329 -9.185 6.458 1.00 0.00 C ATOM 268 O THR A 21 13.268 -10.115 7.238 1.00 0.00 O ATOM 269 CB THR A 21 11.907 -7.649 5.067 1.00 0.00 C ATOM 270 OG1 THR A 21 11.660 -7.063 6.337 1.00 0.00 O ATOM 271 CG2 THR A 21 10.622 -7.629 4.237 1.00 0.00 C ATOM 0 H THR A 21 10.874 -9.973 6.482 1.00 0.00 H new ATOM 0 HA THR A 21 12.935 -9.454 4.389 1.00 0.00 H new ATOM 0 HB THR A 21 12.678 -7.082 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.356 -6.139 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.289 -6.599 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.812 -8.075 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.848 -8.198 4.751 1.00 0.00 H new ATOM 279 N ASP A 22 14.203 -8.227 6.611 1.00 0.00 N ATOM 280 CA ASP A 22 15.153 -8.258 7.760 1.00 0.00 C ATOM 281 C ASP A 22 14.589 -7.455 8.935 1.00 0.00 C ATOM 282 O ASP A 22 15.013 -6.349 9.204 1.00 0.00 O ATOM 283 CB ASP A 22 16.432 -7.609 7.232 1.00 0.00 C ATOM 284 CG ASP A 22 17.641 -8.182 7.975 1.00 0.00 C ATOM 285 OD1 ASP A 22 17.605 -8.208 9.194 1.00 0.00 O ATOM 286 OD2 ASP A 22 18.582 -8.585 7.311 1.00 0.00 O ATOM 0 H ASP A 22 14.300 -7.424 5.990 1.00 0.00 H new ATOM 0 HA ASP A 22 15.329 -9.270 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.530 -7.792 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.387 -6.528 7.368 1.00 0.00 H new ATOM 291 N GLY A 23 13.635 -8.002 9.637 1.00 0.00 N ATOM 292 CA GLY A 23 13.046 -7.269 10.793 1.00 0.00 C ATOM 293 C GLY A 23 11.914 -6.365 10.303 1.00 0.00 C ATOM 294 O GLY A 23 11.522 -6.427 9.154 1.00 0.00 O ATOM 0 H GLY A 23 13.238 -8.925 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.667 -7.977 11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.813 -6.673 11.288 1.00 0.00 H new ATOM 298 N PRO A 24 11.425 -5.550 11.198 1.00 0.00 N ATOM 299 CA PRO A 24 10.323 -4.617 10.859 1.00 0.00 C ATOM 300 C PRO A 24 10.841 -3.472 9.983 1.00 0.00 C ATOM 301 O PRO A 24 12.029 -3.235 9.894 1.00 0.00 O ATOM 302 CB PRO A 24 9.865 -4.097 12.219 1.00 0.00 C ATOM 303 CG PRO A 24 11.053 -4.254 13.115 1.00 0.00 C ATOM 304 CD PRO A 24 11.849 -5.424 12.596 1.00 0.00 C ATOM 0 HA PRO A 24 9.519 -5.090 10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.552 -3.055 12.158 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.012 -4.664 12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.657 -3.347 13.115 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.739 -4.428 14.144 1.00 0.00 H new ATOM 0 HD2 PRO A 24 12.921 -5.243 12.673 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.638 -6.332 13.160 1.00 0.00 H new ATOM 312 N LEU A 25 9.958 -2.761 9.337 1.00 0.00 N ATOM 313 CA LEU A 25 10.399 -1.633 8.468 1.00 0.00 C ATOM 314 C LEU A 25 10.977 -0.501 9.322 1.00 0.00 C ATOM 315 O LEU A 25 11.204 -0.658 10.505 1.00 0.00 O ATOM 316 CB LEU A 25 9.132 -1.168 7.748 1.00 0.00 C ATOM 317 CG LEU A 25 8.140 -0.606 8.768 1.00 0.00 C ATOM 318 CD1 LEU A 25 7.453 0.629 8.184 1.00 0.00 C ATOM 319 CD2 LEU A 25 7.087 -1.668 9.093 1.00 0.00 C ATOM 0 H LEU A 25 8.950 -2.912 9.373 1.00 0.00 H new ATOM 0 HA LEU A 25 11.179 -1.932 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.380 -0.406 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.682 -2.001 7.208 1.00 0.00 H new ATOM 0 HG LEU A 25 8.672 -0.330 9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.746 1.030 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.202 1.386 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.921 0.353 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.380 -1.269 9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.555 -1.944 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.575 -2.549 9.509 1.00 0.00 H new ATOM 331 N ASP A 26 11.218 0.638 8.732 1.00 0.00 N ATOM 332 CA ASP A 26 11.782 1.777 9.512 1.00 0.00 C ATOM 333 C ASP A 26 11.574 3.092 8.757 1.00 0.00 C ATOM 334 O ASP A 26 11.521 3.122 7.544 1.00 0.00 O ATOM 335 CB ASP A 26 13.273 1.465 9.645 1.00 0.00 C ATOM 336 CG ASP A 26 13.794 2.018 10.973 1.00 0.00 C ATOM 337 OD1 ASP A 26 13.040 2.010 11.932 1.00 0.00 O ATOM 338 OD2 ASP A 26 14.938 2.441 11.008 1.00 0.00 O ATOM 0 H ASP A 26 11.049 0.829 7.744 1.00 0.00 H new ATOM 0 HA ASP A 26 11.300 1.891 10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.436 0.388 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.823 1.907 8.814 1.00 0.00 H new ATOM 343 N THR A 27 11.456 4.179 9.468 1.00 0.00 N ATOM 344 CA THR A 27 11.253 5.493 8.796 1.00 0.00 C ATOM 345 C THR A 27 12.399 6.445 9.148 1.00 0.00 C ATOM 346 O THR A 27 13.301 6.662 8.363 1.00 0.00 O ATOM 347 CB THR A 27 9.929 6.019 9.353 1.00 0.00 C ATOM 348 OG1 THR A 27 9.750 5.534 10.676 1.00 0.00 O ATOM 349 CG2 THR A 27 8.773 5.543 8.472 1.00 0.00 C ATOM 0 H THR A 27 11.491 4.214 10.487 1.00 0.00 H new ATOM 0 HA THR A 27 11.233 5.406 7.710 1.00 0.00 H new ATOM 0 HB THR A 27 9.947 7.109 9.363 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.903 5.871 11.036 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.832 5.920 8.872 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.911 5.916 7.457 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.751 4.453 8.458 1.00 0.00 H new ATOM 357 N SER A 28 12.371 7.008 10.325 1.00 0.00 N ATOM 358 CA SER A 28 13.458 7.943 10.739 1.00 0.00 C ATOM 359 C SER A 28 13.857 8.851 9.572 1.00 0.00 C ATOM 360 O SER A 28 14.978 9.312 9.488 1.00 0.00 O ATOM 361 CB SER A 28 14.624 7.040 11.137 1.00 0.00 C ATOM 362 OG SER A 28 14.554 6.770 12.531 1.00 0.00 O ATOM 0 H SER A 28 11.640 6.861 11.021 1.00 0.00 H new ATOM 0 HA SER A 28 13.149 8.597 11.554 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.587 6.109 10.572 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.571 7.522 10.895 1.00 0.00 H new ATOM 0 HG SER A 28 15.300 6.189 12.790 1.00 0.00 H new ATOM 368 N THR A 29 12.950 9.113 8.671 1.00 0.00 N ATOM 369 CA THR A 29 13.284 9.991 7.512 1.00 0.00 C ATOM 370 C THR A 29 12.004 10.462 6.817 1.00 0.00 C ATOM 371 O THR A 29 11.982 10.689 5.624 1.00 0.00 O ATOM 372 CB THR A 29 14.111 9.111 6.574 1.00 0.00 C ATOM 373 OG1 THR A 29 14.552 9.886 5.468 1.00 0.00 O ATOM 374 CG2 THR A 29 13.255 7.946 6.076 1.00 0.00 C ATOM 0 H THR A 29 11.994 8.758 8.686 1.00 0.00 H new ATOM 0 HA THR A 29 13.827 10.886 7.816 1.00 0.00 H new ATOM 0 HB THR A 29 14.975 8.718 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.811 10.434 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.846 7.320 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.918 7.352 6.926 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.390 8.334 5.539 1.00 0.00 H new ATOM 382 N GLY A 30 10.937 10.611 7.553 1.00 0.00 N ATOM 383 CA GLY A 30 9.662 11.067 6.933 1.00 0.00 C ATOM 384 C GLY A 30 9.323 10.165 5.746 1.00 0.00 C ATOM 385 O GLY A 30 8.678 10.579 4.803 1.00 0.00 O ATOM 0 H GLY A 30 10.893 10.437 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.857 11.038 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.755 12.102 6.603 1.00 0.00 H new ATOM 389 N ALA A 31 9.753 8.934 5.785 1.00 0.00 N ATOM 390 CA ALA A 31 9.455 8.006 4.657 1.00 0.00 C ATOM 391 C ALA A 31 9.361 6.565 5.165 1.00 0.00 C ATOM 392 O ALA A 31 9.836 6.240 6.235 1.00 0.00 O ATOM 393 CB ALA A 31 10.637 8.159 3.699 1.00 0.00 C ATOM 0 H ALA A 31 10.297 8.531 6.548 1.00 0.00 H new ATOM 0 HA ALA A 31 8.504 8.234 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.494 7.506 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.701 9.194 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.559 7.886 4.212 1.00 0.00 H new ATOM 399 N LEU A 32 8.754 5.698 4.402 1.00 0.00 N ATOM 400 CA LEU A 32 8.630 4.277 4.833 1.00 0.00 C ATOM 401 C LEU A 32 9.606 3.412 4.033 1.00 0.00 C ATOM 402 O LEU A 32 9.337 3.031 2.913 1.00 0.00 O ATOM 403 CB LEU A 32 7.184 3.894 4.517 1.00 0.00 C ATOM 404 CG LEU A 32 6.898 2.490 5.048 1.00 0.00 C ATOM 405 CD1 LEU A 32 5.943 2.579 6.239 1.00 0.00 C ATOM 406 CD2 LEU A 32 6.255 1.652 3.941 1.00 0.00 C ATOM 0 H LEU A 32 8.337 5.913 3.496 1.00 0.00 H new ATOM 0 HA LEU A 32 8.863 4.134 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.500 4.611 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.015 3.928 3.441 1.00 0.00 H new ATOM 0 HG LEU A 32 7.830 2.023 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.739 1.577 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.399 3.179 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.009 3.044 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.050 0.649 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.322 2.120 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.935 1.589 3.091 1.00 0.00 H new ATOM 418 N CYS A 33 10.743 3.112 4.594 1.00 0.00 N ATOM 419 CA CYS A 33 11.739 2.287 3.855 1.00 0.00 C ATOM 420 C CYS A 33 11.821 0.874 4.437 1.00 0.00 C ATOM 421 O CYS A 33 12.215 0.677 5.570 1.00 0.00 O ATOM 422 CB CYS A 33 13.069 3.020 4.036 1.00 0.00 C ATOM 423 SG CYS A 33 13.072 4.521 3.024 1.00 0.00 S ATOM 0 H CYS A 33 11.026 3.401 5.530 1.00 0.00 H new ATOM 0 HA CYS A 33 11.470 2.171 2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 33 13.216 3.276 5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.896 2.372 3.747 1.00 0.00 H new ATOM 428 N VAL A 34 11.466 -0.112 3.659 1.00 0.00 N ATOM 429 CA VAL A 34 11.535 -1.518 4.148 1.00 0.00 C ATOM 430 C VAL A 34 12.755 -2.206 3.530 1.00 0.00 C ATOM 431 O VAL A 34 13.075 -1.993 2.380 1.00 0.00 O ATOM 432 CB VAL A 34 10.241 -2.172 3.664 1.00 0.00 C ATOM 433 CG1 VAL A 34 9.050 -1.551 4.394 1.00 0.00 C ATOM 434 CG2 VAL A 34 10.089 -1.945 2.158 1.00 0.00 C ATOM 0 H VAL A 34 11.130 -0.004 2.702 1.00 0.00 H new ATOM 0 HA VAL A 34 11.634 -1.586 5.231 1.00 0.00 H new ATOM 0 HB VAL A 34 10.276 -3.242 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.128 -2.018 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.157 -1.710 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.014 -0.481 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.167 -2.411 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.055 -0.875 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.937 -2.387 1.636 1.00 0.00 H new ATOM 444 N ALA A 35 13.445 -3.019 4.281 1.00 0.00 N ATOM 445 CA ALA A 35 14.651 -3.696 3.722 1.00 0.00 C ATOM 446 C ALA A 35 14.269 -5.023 3.062 1.00 0.00 C ATOM 447 O ALA A 35 14.273 -6.063 3.689 1.00 0.00 O ATOM 448 CB ALA A 35 15.559 -3.943 4.927 1.00 0.00 C ATOM 0 H ALA A 35 13.229 -3.244 5.252 1.00 0.00 H new ATOM 0 HA ALA A 35 15.138 -3.093 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 35 16.472 -4.440 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.812 -2.991 5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.041 -4.574 5.649 1.00 0.00 H new ATOM 454 N VAL A 36 13.949 -4.996 1.796 1.00 0.00 N ATOM 455 CA VAL A 36 13.577 -6.260 1.097 1.00 0.00 C ATOM 456 C VAL A 36 14.823 -7.132 0.904 1.00 0.00 C ATOM 457 O VAL A 36 15.873 -6.643 0.532 1.00 0.00 O ATOM 458 CB VAL A 36 13.006 -5.819 -0.250 1.00 0.00 C ATOM 459 CG1 VAL A 36 12.877 -7.031 -1.170 1.00 0.00 C ATOM 460 CG2 VAL A 36 11.622 -5.199 -0.041 1.00 0.00 C ATOM 0 H VAL A 36 13.929 -4.156 1.217 1.00 0.00 H new ATOM 0 HA VAL A 36 12.857 -6.853 1.661 1.00 0.00 H new ATOM 0 HB VAL A 36 13.673 -5.084 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.470 -6.717 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.859 -7.479 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.210 -7.764 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.215 -4.885 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.958 -5.936 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.706 -4.335 0.618 1.00 0.00 H new ATOM 470 N PRO A 37 14.662 -8.398 1.178 1.00 0.00 N ATOM 471 CA PRO A 37 15.787 -9.362 1.055 1.00 0.00 C ATOM 472 C PRO A 37 16.207 -9.558 -0.407 1.00 0.00 C ATOM 473 O PRO A 37 15.742 -8.875 -1.297 1.00 0.00 O ATOM 474 CB PRO A 37 15.220 -10.649 1.651 1.00 0.00 C ATOM 475 CG PRO A 37 13.739 -10.516 1.511 1.00 0.00 C ATOM 476 CD PRO A 37 13.425 -9.049 1.621 1.00 0.00 C ATOM 0 HA PRO A 37 16.690 -9.022 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.590 -11.527 1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.510 -10.762 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.404 -10.913 0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.224 -11.081 2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.579 -8.772 0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.168 -8.769 2.643 1.00 0.00 H new ATOM 484 N ALA A 38 17.109 -10.475 -0.648 1.00 0.00 N ATOM 485 CA ALA A 38 17.599 -10.713 -2.038 1.00 0.00 C ATOM 486 C ALA A 38 16.545 -11.411 -2.903 1.00 0.00 C ATOM 487 O ALA A 38 16.136 -12.523 -2.635 1.00 0.00 O ATOM 488 CB ALA A 38 18.825 -11.611 -1.872 1.00 0.00 C ATOM 0 H ALA A 38 17.529 -11.073 0.064 1.00 0.00 H new ATOM 0 HA ALA A 38 17.827 -9.774 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.248 -11.835 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.571 -11.100 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.532 -12.540 -1.383 1.00 0.00 H new ATOM 494 N GLY A 39 16.126 -10.763 -3.956 1.00 0.00 N ATOM 495 CA GLY A 39 15.122 -11.369 -4.878 1.00 0.00 C ATOM 496 C GLY A 39 13.883 -11.842 -4.113 1.00 0.00 C ATOM 497 O GLY A 39 13.092 -12.591 -4.647 1.00 0.00 O ATOM 0 H GLY A 39 16.440 -9.829 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.830 -10.639 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.570 -12.211 -5.406 1.00 0.00 H new ATOM 501 N SER A 40 13.706 -11.407 -2.881 1.00 0.00 N ATOM 502 CA SER A 40 12.507 -11.829 -2.076 1.00 0.00 C ATOM 503 C SER A 40 11.968 -13.175 -2.567 1.00 0.00 C ATOM 504 O SER A 40 10.785 -13.342 -2.790 1.00 0.00 O ATOM 505 CB SER A 40 11.474 -10.726 -2.299 1.00 0.00 C ATOM 506 OG SER A 40 12.011 -9.484 -1.861 1.00 0.00 O ATOM 0 H SER A 40 14.344 -10.775 -2.397 1.00 0.00 H new ATOM 0 HA SER A 40 12.751 -11.959 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.208 -10.669 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.559 -10.953 -1.752 1.00 0.00 H new ATOM 0 HG SER A 40 12.599 -9.119 -2.555 1.00 0.00 H new ATOM 512 N ALA A 41 12.838 -14.124 -2.765 1.00 0.00 N ATOM 513 CA ALA A 41 12.398 -15.456 -3.276 1.00 0.00 C ATOM 514 C ALA A 41 12.027 -16.390 -2.130 1.00 0.00 C ATOM 515 O ALA A 41 12.090 -17.597 -2.247 1.00 0.00 O ATOM 516 CB ALA A 41 13.602 -16.001 -4.028 1.00 0.00 C ATOM 0 H ALA A 41 13.840 -14.036 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 41 11.512 -15.373 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.362 -16.982 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.861 -15.322 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 41 14.447 -16.090 -3.346 1.00 0.00 H new ATOM 522 N GLN A 42 11.626 -15.836 -1.036 1.00 0.00 N ATOM 523 CA GLN A 42 11.227 -16.681 0.126 1.00 0.00 C ATOM 524 C GLN A 42 9.724 -16.954 0.065 1.00 0.00 C ATOM 525 O GLN A 42 9.128 -16.951 -0.994 1.00 0.00 O ATOM 526 CB GLN A 42 11.577 -15.857 1.365 1.00 0.00 C ATOM 527 CG GLN A 42 10.863 -14.508 1.299 1.00 0.00 C ATOM 528 CD GLN A 42 11.893 -13.386 1.424 1.00 0.00 C ATOM 529 OE1 GLN A 42 11.700 -12.450 2.173 1.00 0.00 O ATOM 530 NE2 GLN A 42 12.989 -13.445 0.717 1.00 0.00 N ATOM 0 H GLN A 42 11.554 -14.830 -0.886 1.00 0.00 H new ATOM 0 HA GLN A 42 11.733 -17.646 0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.281 -16.393 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.655 -15.707 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.320 -14.416 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.127 -14.433 2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.149 -14.232 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.686 -12.704 0.793 1.00 0.00 H new ATOM 539 N TYR A 43 9.101 -17.186 1.186 1.00 0.00 N ATOM 540 CA TYR A 43 7.635 -17.452 1.171 1.00 0.00 C ATOM 541 C TYR A 43 6.899 -16.286 0.500 1.00 0.00 C ATOM 542 O TYR A 43 5.756 -16.404 0.107 1.00 0.00 O ATOM 543 CB TYR A 43 7.233 -17.586 2.640 1.00 0.00 C ATOM 544 CG TYR A 43 7.178 -16.224 3.284 1.00 0.00 C ATOM 545 CD1 TYR A 43 5.986 -15.491 3.265 1.00 0.00 C ATOM 546 CD2 TYR A 43 8.315 -15.698 3.905 1.00 0.00 C ATOM 547 CE1 TYR A 43 5.931 -14.230 3.868 1.00 0.00 C ATOM 548 CE2 TYR A 43 8.262 -14.435 4.507 1.00 0.00 C ATOM 549 CZ TYR A 43 7.070 -13.702 4.490 1.00 0.00 C ATOM 550 OH TYR A 43 7.015 -12.459 5.086 1.00 0.00 O ATOM 0 H TYR A 43 9.539 -17.203 2.107 1.00 0.00 H new ATOM 0 HA TYR A 43 7.381 -18.350 0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.261 -18.074 2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.949 -18.218 3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.109 -15.899 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.234 -16.266 3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.011 -13.664 3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.141 -14.027 4.984 1.00 0.00 H new ATOM 0 HH TYR A 43 7.067 -12.560 6.059 1.00 0.00 H new ATOM 560 N GLY A 44 7.552 -15.161 0.359 1.00 0.00 N ATOM 561 CA GLY A 44 6.894 -13.994 -0.294 1.00 0.00 C ATOM 562 C GLY A 44 6.924 -12.788 0.647 1.00 0.00 C ATOM 563 O GLY A 44 6.427 -12.842 1.755 1.00 0.00 O ATOM 0 H GLY A 44 8.511 -15.002 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.404 -13.752 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.864 -14.242 -0.549 1.00 0.00 H new ATOM 567 N VAL A 45 7.495 -11.695 0.215 1.00 0.00 N ATOM 568 CA VAL A 45 7.545 -10.487 1.085 1.00 0.00 C ATOM 569 C VAL A 45 6.300 -9.634 0.834 1.00 0.00 C ATOM 570 O VAL A 45 5.467 -9.975 0.019 1.00 0.00 O ATOM 571 CB VAL A 45 8.812 -9.748 0.650 1.00 0.00 C ATOM 572 CG1 VAL A 45 9.177 -8.691 1.693 1.00 0.00 C ATOM 573 CG2 VAL A 45 9.966 -10.747 0.510 1.00 0.00 C ATOM 0 H VAL A 45 7.928 -11.588 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 45 7.565 -10.724 2.149 1.00 0.00 H new ATOM 0 HB VAL A 45 8.633 -9.262 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.080 -8.167 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.359 -7.978 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.353 -9.174 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.868 -10.220 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.142 -11.236 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.709 -11.497 -0.238 1.00 0.00 H new ATOM 583 N GLY A 46 6.157 -8.533 1.521 1.00 0.00 N ATOM 584 CA GLY A 46 4.953 -7.687 1.291 1.00 0.00 C ATOM 585 C GLY A 46 4.767 -6.686 2.433 1.00 0.00 C ATOM 586 O GLY A 46 5.578 -6.585 3.333 1.00 0.00 O ATOM 0 H GLY A 46 6.812 -8.187 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.053 -7.153 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.069 -8.319 1.208 1.00 0.00 H new ATOM 590 N VAL A 47 3.690 -5.950 2.394 1.00 0.00 N ATOM 591 CA VAL A 47 3.404 -4.946 3.455 1.00 0.00 C ATOM 592 C VAL A 47 1.889 -4.784 3.581 1.00 0.00 C ATOM 593 O VAL A 47 1.194 -4.626 2.597 1.00 0.00 O ATOM 594 CB VAL A 47 4.048 -3.645 2.968 1.00 0.00 C ATOM 595 CG1 VAL A 47 3.981 -2.591 4.073 1.00 0.00 C ATOM 596 CG2 VAL A 47 5.511 -3.897 2.601 1.00 0.00 C ATOM 0 H VAL A 47 2.985 -6.004 1.659 1.00 0.00 H new ATOM 0 HA VAL A 47 3.793 -5.235 4.431 1.00 0.00 H new ATOM 0 HB VAL A 47 3.509 -3.289 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.440 -1.667 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.939 -2.403 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.515 -2.951 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.965 -2.968 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.049 -4.259 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.564 -4.644 1.809 1.00 0.00 H new ATOM 606 N VAL A 48 1.364 -4.832 4.770 1.00 0.00 N ATOM 607 CA VAL A 48 -0.115 -4.690 4.922 1.00 0.00 C ATOM 608 C VAL A 48 -0.458 -3.477 5.789 1.00 0.00 C ATOM 609 O VAL A 48 0.091 -3.289 6.857 1.00 0.00 O ATOM 610 CB VAL A 48 -0.575 -5.984 5.594 1.00 0.00 C ATOM 611 CG1 VAL A 48 -0.324 -7.164 4.655 1.00 0.00 C ATOM 612 CG2 VAL A 48 0.206 -6.193 6.892 1.00 0.00 C ATOM 0 H VAL A 48 1.885 -4.962 5.637 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.608 -4.532 3.963 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.640 -5.916 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.652 -8.086 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.881 -7.018 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.741 -7.230 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.123 -7.116 7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.271 -6.259 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.027 -5.353 7.563 1.00 0.00 H new ATOM 622 N LEU A 49 -1.367 -2.654 5.337 1.00 0.00 N ATOM 623 CA LEU A 49 -1.748 -1.453 6.138 1.00 0.00 C ATOM 624 C LEU A 49 -3.272 -1.340 6.237 1.00 0.00 C ATOM 625 O LEU A 49 -3.935 -0.939 5.301 1.00 0.00 O ATOM 626 CB LEU A 49 -1.174 -0.263 5.369 1.00 0.00 C ATOM 627 CG LEU A 49 -1.734 1.036 5.953 1.00 0.00 C ATOM 628 CD1 LEU A 49 -1.080 1.309 7.309 1.00 0.00 C ATOM 629 CD2 LEU A 49 -1.433 2.194 5.001 1.00 0.00 C ATOM 0 H LEU A 49 -1.861 -2.760 4.451 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.367 -1.503 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.086 -0.265 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.431 -0.340 4.312 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.812 0.941 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.478 2.234 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.293 0.484 7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.002 1.404 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.832 3.120 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.355 2.289 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.898 2.000 4.034 1.00 0.00 H new ATOM 641 N ASN A 50 -3.831 -1.684 7.364 1.00 0.00 N ATOM 642 CA ASN A 50 -5.312 -1.591 7.521 1.00 0.00 C ATOM 643 C ASN A 50 -5.728 -0.141 7.783 1.00 0.00 C ATOM 644 O ASN A 50 -4.972 0.644 8.321 1.00 0.00 O ATOM 645 CB ASN A 50 -5.638 -2.471 8.729 1.00 0.00 C ATOM 646 CG ASN A 50 -4.817 -2.010 9.935 1.00 0.00 C ATOM 647 OD1 ASN A 50 -4.396 -0.872 9.999 1.00 0.00 O ATOM 648 ND2 ASN A 50 -4.569 -2.853 10.900 1.00 0.00 N ATOM 0 H ASN A 50 -3.328 -2.025 8.183 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.843 -1.915 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.702 -2.413 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.417 -3.514 8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.022 -2.557 11.708 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.923 -3.808 10.846 1.00 0.00 H new ATOM 655 N GLY A 51 -6.925 0.220 7.409 1.00 0.00 N ATOM 656 CA GLY A 51 -7.386 1.619 7.639 1.00 0.00 C ATOM 657 C GLY A 51 -7.856 2.230 6.318 1.00 0.00 C ATOM 658 O GLY A 51 -7.282 3.180 5.823 1.00 0.00 O ATOM 0 H GLY A 51 -7.603 -0.392 6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.199 1.630 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.576 2.215 8.059 1.00 0.00 H new ATOM 662 N VAL A 52 -8.899 1.697 5.743 1.00 0.00 N ATOM 663 CA VAL A 52 -9.407 2.251 4.455 1.00 0.00 C ATOM 664 C VAL A 52 -10.919 2.476 4.538 1.00 0.00 C ATOM 665 O VAL A 52 -11.560 2.094 5.497 1.00 0.00 O ATOM 666 CB VAL A 52 -9.077 1.188 3.407 1.00 0.00 C ATOM 667 CG1 VAL A 52 -9.607 1.633 2.043 1.00 0.00 C ATOM 668 CG2 VAL A 52 -7.560 1.005 3.328 1.00 0.00 C ATOM 0 H VAL A 52 -9.422 0.901 6.109 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.956 3.213 4.212 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.544 0.244 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.371 0.875 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.688 1.765 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.140 2.577 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.323 0.247 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.094 1.949 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.181 0.688 4.299 1.00 0.00 H new ATOM 678 N ALA A 53 -11.495 3.095 3.543 1.00 0.00 N ATOM 679 CA ALA A 53 -12.965 3.342 3.574 1.00 0.00 C ATOM 680 C ALA A 53 -13.536 3.370 2.153 1.00 0.00 C ATOM 681 O ALA A 53 -13.675 4.416 1.550 1.00 0.00 O ATOM 682 CB ALA A 53 -13.121 4.709 4.240 1.00 0.00 C ATOM 0 H ALA A 53 -11.013 3.439 2.713 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.501 2.559 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.179 4.965 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.697 4.675 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.599 5.463 3.651 1.00 0.00 H new ATOM 688 N ILE A 54 -13.873 2.229 1.616 1.00 0.00 N ATOM 689 CA ILE A 54 -14.443 2.194 0.237 1.00 0.00 C ATOM 690 C ILE A 54 -15.919 1.792 0.293 1.00 0.00 C ATOM 691 O ILE A 54 -16.378 1.218 1.260 1.00 0.00 O ATOM 692 CB ILE A 54 -13.625 1.139 -0.510 1.00 0.00 C ATOM 693 CG1 ILE A 54 -12.150 1.549 -0.522 1.00 0.00 C ATOM 694 CG2 ILE A 54 -14.131 1.025 -1.949 1.00 0.00 C ATOM 695 CD1 ILE A 54 -12.012 2.950 -1.118 1.00 0.00 C ATOM 0 H ILE A 54 -13.779 1.321 2.071 1.00 0.00 H new ATOM 0 HA ILE A 54 -14.393 3.165 -0.256 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.732 0.177 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.749 1.533 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.569 0.836 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.548 0.273 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -15.181 0.733 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.025 1.988 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.961 3.240 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.396 2.951 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.580 3.659 -0.516 1.00 0.00 H new ATOM 707 N GLU A 55 -16.669 2.090 -0.734 1.00 0.00 N ATOM 708 CA GLU A 55 -18.115 1.723 -0.727 1.00 0.00 C ATOM 709 C GLU A 55 -18.605 1.449 -2.152 1.00 0.00 C ATOM 710 O GLU A 55 -18.544 2.305 -3.013 1.00 0.00 O ATOM 711 CB GLU A 55 -18.829 2.942 -0.142 1.00 0.00 C ATOM 712 CG GLU A 55 -18.701 2.927 1.382 1.00 0.00 C ATOM 713 CD GLU A 55 -19.375 4.172 1.964 1.00 0.00 C ATOM 714 OE1 GLU A 55 -19.407 5.179 1.277 1.00 0.00 O ATOM 715 OE2 GLU A 55 -19.847 4.096 3.086 1.00 0.00 O ATOM 0 H GLU A 55 -16.345 2.569 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.306 0.819 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.396 3.858 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.880 2.933 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.164 2.027 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.650 2.902 1.669 1.00 0.00 H new ATOM 722 N GLU A 56 -19.092 0.260 -2.400 1.00 0.00 N ATOM 723 CA GLU A 56 -19.595 -0.087 -3.763 1.00 0.00 C ATOM 724 C GLU A 56 -18.718 0.550 -4.844 1.00 0.00 C ATOM 725 O GLU A 56 -17.543 0.787 -4.644 1.00 0.00 O ATOM 726 CB GLU A 56 -21.014 0.476 -3.820 1.00 0.00 C ATOM 727 CG GLU A 56 -20.951 2.000 -3.863 1.00 0.00 C ATOM 728 CD GLU A 56 -22.332 2.561 -4.206 1.00 0.00 C ATOM 729 OE1 GLU A 56 -23.063 1.890 -4.916 1.00 0.00 O ATOM 730 OE2 GLU A 56 -22.636 3.653 -3.753 1.00 0.00 O ATOM 0 H GLU A 56 -19.163 -0.490 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.575 -1.162 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -21.533 0.097 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.583 0.149 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.619 2.388 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.221 2.323 -4.606 1.00 0.00 H new ATOM 737 N GLY A 57 -19.282 0.826 -5.987 1.00 0.00 N ATOM 738 CA GLY A 57 -18.487 1.448 -7.083 1.00 0.00 C ATOM 739 C GLY A 57 -18.343 2.949 -6.824 1.00 0.00 C ATOM 740 O GLY A 57 -19.307 3.688 -6.844 1.00 0.00 O ATOM 0 H GLY A 57 -20.261 0.647 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.503 0.983 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.977 1.279 -8.042 1.00 0.00 H new ATOM 744 N THR A 58 -17.145 3.405 -6.580 1.00 0.00 N ATOM 745 CA THR A 58 -16.937 4.858 -6.318 1.00 0.00 C ATOM 746 C THR A 58 -15.599 5.307 -6.918 1.00 0.00 C ATOM 747 O THR A 58 -14.810 4.503 -7.371 1.00 0.00 O ATOM 748 CB THR A 58 -16.932 4.980 -4.787 1.00 0.00 C ATOM 749 OG1 THR A 58 -18.268 5.125 -4.327 1.00 0.00 O ATOM 750 CG2 THR A 58 -16.110 6.198 -4.351 1.00 0.00 C ATOM 0 H THR A 58 -16.300 2.834 -6.551 1.00 0.00 H new ATOM 0 HA THR A 58 -17.706 5.487 -6.767 1.00 0.00 H new ATOM 0 HB THR A 58 -16.484 4.082 -4.360 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.547 4.305 -3.869 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.116 6.271 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.084 6.089 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.545 7.102 -4.778 1.00 0.00 H new ATOM 758 N THR A 59 -15.340 6.586 -6.921 1.00 0.00 N ATOM 759 CA THR A 59 -14.054 7.084 -7.488 1.00 0.00 C ATOM 760 C THR A 59 -12.982 7.133 -6.397 1.00 0.00 C ATOM 761 O THR A 59 -13.283 7.184 -5.221 1.00 0.00 O ATOM 762 CB THR A 59 -14.365 8.493 -7.995 1.00 0.00 C ATOM 763 OG1 THR A 59 -15.725 8.560 -8.399 1.00 0.00 O ATOM 764 CG2 THR A 59 -13.460 8.822 -9.184 1.00 0.00 C ATOM 0 H THR A 59 -15.962 7.307 -6.556 1.00 0.00 H new ATOM 0 HA THR A 59 -13.674 6.440 -8.281 1.00 0.00 H new ATOM 0 HB THR A 59 -14.187 9.214 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.926 9.463 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.683 9.826 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.417 8.772 -8.872 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.635 8.103 -9.984 1.00 0.00 H new ATOM 772 N TYR A 60 -11.734 7.118 -6.776 1.00 0.00 N ATOM 773 CA TYR A 60 -10.645 7.164 -5.758 1.00 0.00 C ATOM 774 C TYR A 60 -9.342 7.648 -6.398 1.00 0.00 C ATOM 775 O TYR A 60 -9.242 7.781 -7.601 1.00 0.00 O ATOM 776 CB TYR A 60 -10.498 5.725 -5.267 1.00 0.00 C ATOM 777 CG TYR A 60 -11.663 5.376 -4.374 1.00 0.00 C ATOM 778 CD1 TYR A 60 -11.654 5.761 -3.028 1.00 0.00 C ATOM 779 CD2 TYR A 60 -12.752 4.668 -4.892 1.00 0.00 C ATOM 780 CE1 TYR A 60 -12.736 5.437 -2.201 1.00 0.00 C ATOM 781 CE2 TYR A 60 -13.834 4.344 -4.066 1.00 0.00 C ATOM 782 CZ TYR A 60 -13.826 4.729 -2.720 1.00 0.00 C ATOM 783 OH TYR A 60 -14.893 4.410 -1.905 1.00 0.00 O ATOM 0 H TYR A 60 -11.421 7.076 -7.746 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.873 7.851 -4.943 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.459 5.042 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.561 5.609 -4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.813 6.308 -2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.758 4.371 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.730 5.733 -1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.675 3.797 -4.467 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.291 5.232 -1.551 1.00 0.00 H new ATOM 793 N THR A 61 -8.343 7.909 -5.602 1.00 0.00 N ATOM 794 CA THR A 61 -7.046 8.382 -6.165 1.00 0.00 C ATOM 795 C THR A 61 -5.887 7.932 -5.273 1.00 0.00 C ATOM 796 O THR A 61 -5.790 8.316 -4.124 1.00 0.00 O ATOM 797 CB THR A 61 -7.152 9.908 -6.178 1.00 0.00 C ATOM 798 OG1 THR A 61 -8.359 10.291 -6.823 1.00 0.00 O ATOM 799 CG2 THR A 61 -5.959 10.497 -6.932 1.00 0.00 C ATOM 0 H THR A 61 -8.368 7.816 -4.587 1.00 0.00 H new ATOM 0 HA THR A 61 -6.856 7.979 -7.160 1.00 0.00 H new ATOM 0 HB THR A 61 -7.152 10.282 -5.154 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.430 11.268 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.035 11.584 -6.941 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.034 10.202 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.957 10.125 -7.957 1.00 0.00 H new ATOM 807 N LEU A 62 -5.005 7.122 -5.792 1.00 0.00 N ATOM 808 CA LEU A 62 -3.853 6.651 -4.973 1.00 0.00 C ATOM 809 C LEU A 62 -2.675 7.616 -5.122 1.00 0.00 C ATOM 810 O LEU A 62 -2.200 7.869 -6.213 1.00 0.00 O ATOM 811 CB LEU A 62 -3.497 5.277 -5.541 1.00 0.00 C ATOM 812 CG LEU A 62 -2.309 4.697 -4.771 1.00 0.00 C ATOM 813 CD1 LEU A 62 -2.770 4.247 -3.384 1.00 0.00 C ATOM 814 CD2 LEU A 62 -1.745 3.496 -5.534 1.00 0.00 C ATOM 0 H LEU A 62 -5.033 6.766 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.092 6.601 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.354 4.608 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.251 5.362 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.536 5.459 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.924 3.834 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.173 5.101 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.543 3.485 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.898 3.082 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.518 2.735 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.416 3.815 -6.523 1.00 0.00 H new ATOM 826 N ARG A 63 -2.202 8.162 -4.035 1.00 0.00 N ATOM 827 CA ARG A 63 -1.058 9.115 -4.117 1.00 0.00 C ATOM 828 C ARG A 63 0.085 8.654 -3.209 1.00 0.00 C ATOM 829 O ARG A 63 0.031 8.799 -2.004 1.00 0.00 O ATOM 830 CB ARG A 63 -1.623 10.450 -3.629 1.00 0.00 C ATOM 831 CG ARG A 63 -0.731 11.593 -4.116 1.00 0.00 C ATOM 832 CD ARG A 63 -1.414 12.931 -3.826 1.00 0.00 C ATOM 833 NE ARG A 63 -0.370 13.760 -3.162 1.00 0.00 N ATOM 834 CZ ARG A 63 -0.317 13.821 -1.859 1.00 0.00 C ATOM 835 NH1 ARG A 63 -1.420 13.873 -1.163 1.00 0.00 N ATOM 836 NH2 ARG A 63 0.838 13.831 -1.253 1.00 0.00 N ATOM 0 H ARG A 63 -2.558 7.990 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.651 9.185 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.639 10.584 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.678 10.457 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.237 11.551 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.543 11.492 -5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.767 13.401 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.283 12.799 -3.181 1.00 0.00 H new ATOM 0 HE ARG A 63 0.303 14.280 -3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.323 13.866 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.379 13.921 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.700 13.791 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.879 13.879 -0.235 1.00 0.00 H new ATOM 850 N TYR A 64 1.122 8.101 -3.780 1.00 0.00 N ATOM 851 CA TYR A 64 2.270 7.635 -2.950 1.00 0.00 C ATOM 852 C TYR A 64 3.571 7.721 -3.758 1.00 0.00 C ATOM 853 O TYR A 64 3.567 7.621 -4.968 1.00 0.00 O ATOM 854 CB TYR A 64 1.934 6.183 -2.584 1.00 0.00 C ATOM 855 CG TYR A 64 2.315 5.257 -3.719 1.00 0.00 C ATOM 856 CD1 TYR A 64 3.655 4.900 -3.912 1.00 0.00 C ATOM 857 CD2 TYR A 64 1.327 4.757 -4.576 1.00 0.00 C ATOM 858 CE1 TYR A 64 4.007 4.044 -4.963 1.00 0.00 C ATOM 859 CE2 TYR A 64 1.679 3.902 -5.626 1.00 0.00 C ATOM 860 CZ TYR A 64 3.018 3.545 -5.820 1.00 0.00 C ATOM 861 OH TYR A 64 3.365 2.701 -6.855 1.00 0.00 O ATOM 0 H TYR A 64 1.223 7.952 -4.784 1.00 0.00 H new ATOM 0 HA TYR A 64 2.418 8.244 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.466 5.896 -1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.869 6.091 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.417 5.285 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.293 5.031 -4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.041 3.769 -5.113 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.917 3.517 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 64 2.560 2.446 -7.353 1.00 0.00 H new ATOM 871 N THR A 65 4.682 7.906 -3.098 1.00 0.00 N ATOM 872 CA THR A 65 5.977 7.998 -3.833 1.00 0.00 C ATOM 873 C THR A 65 6.927 6.890 -3.373 1.00 0.00 C ATOM 874 O THR A 65 7.592 7.009 -2.363 1.00 0.00 O ATOM 875 CB THR A 65 6.540 9.373 -3.471 1.00 0.00 C ATOM 876 OG1 THR A 65 5.559 10.368 -3.728 1.00 0.00 O ATOM 877 CG2 THR A 65 7.787 9.654 -4.312 1.00 0.00 C ATOM 0 H THR A 65 4.750 7.997 -2.084 1.00 0.00 H new ATOM 0 HA THR A 65 5.851 7.880 -4.909 1.00 0.00 H new ATOM 0 HB THR A 65 6.806 9.390 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.413 10.900 -2.918 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.187 10.634 -4.053 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.539 8.891 -4.113 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.524 9.637 -5.370 1.00 0.00 H new ATOM 885 N ALA A 66 6.994 5.812 -4.105 1.00 0.00 N ATOM 886 CA ALA A 66 7.899 4.696 -3.709 1.00 0.00 C ATOM 887 C ALA A 66 9.198 4.750 -4.517 1.00 0.00 C ATOM 888 O ALA A 66 9.209 5.132 -5.671 1.00 0.00 O ATOM 889 CB ALA A 66 7.118 3.422 -4.034 1.00 0.00 C ATOM 0 H ALA A 66 6.461 5.656 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 66 8.181 4.747 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.718 2.551 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.189 3.409 -3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.890 3.397 -5.100 1.00 0.00 H new ATOM 895 N THR A 67 10.294 4.369 -3.918 1.00 0.00 N ATOM 896 CA THR A 67 11.594 4.395 -4.650 1.00 0.00 C ATOM 897 C THR A 67 12.522 3.303 -4.112 1.00 0.00 C ATOM 898 O THR A 67 12.908 3.316 -2.960 1.00 0.00 O ATOM 899 CB THR A 67 12.181 5.779 -4.375 1.00 0.00 C ATOM 900 OG1 THR A 67 11.302 6.773 -4.882 1.00 0.00 O ATOM 901 CG2 THR A 67 13.544 5.901 -5.059 1.00 0.00 C ATOM 0 H THR A 67 10.346 4.041 -2.954 1.00 0.00 H new ATOM 0 HA THR A 67 11.470 4.212 -5.717 1.00 0.00 H new ATOM 0 HB THR A 67 12.303 5.917 -3.301 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.413 7.600 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.962 6.888 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.217 5.137 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.425 5.764 -6.134 1.00 0.00 H new ATOM 909 N ALA A 68 12.887 2.360 -4.936 1.00 0.00 N ATOM 910 CA ALA A 68 13.794 1.273 -4.467 1.00 0.00 C ATOM 911 C ALA A 68 15.188 1.456 -5.067 1.00 0.00 C ATOM 912 O ALA A 68 15.338 1.686 -6.251 1.00 0.00 O ATOM 913 CB ALA A 68 13.159 -0.024 -4.973 1.00 0.00 C ATOM 0 H ALA A 68 12.598 2.294 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 68 13.910 1.272 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.771 -0.872 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.159 -0.127 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.095 0.003 -6.061 1.00 0.00 H new ATOM 919 N SER A 69 16.212 1.347 -4.265 1.00 0.00 N ATOM 920 CA SER A 69 17.592 1.508 -4.804 1.00 0.00 C ATOM 921 C SER A 69 17.728 0.707 -6.099 1.00 0.00 C ATOM 922 O SER A 69 18.536 1.013 -6.953 1.00 0.00 O ATOM 923 CB SER A 69 18.512 0.944 -3.722 1.00 0.00 C ATOM 924 OG SER A 69 18.007 1.304 -2.443 1.00 0.00 O ATOM 0 H SER A 69 16.153 1.154 -3.265 1.00 0.00 H new ATOM 0 HA SER A 69 17.835 2.545 -5.035 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.573 -0.141 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.523 1.332 -3.849 1.00 0.00 H new ATOM 0 HG SER A 69 18.594 0.943 -1.746 1.00 0.00 H new ATOM 930 N THR A 70 16.936 -0.318 -6.247 1.00 0.00 N ATOM 931 CA THR A 70 17.002 -1.148 -7.481 1.00 0.00 C ATOM 932 C THR A 70 15.737 -0.933 -8.322 1.00 0.00 C ATOM 933 O THR A 70 14.774 -0.347 -7.869 1.00 0.00 O ATOM 934 CB THR A 70 17.082 -2.595 -6.973 1.00 0.00 C ATOM 935 OG1 THR A 70 17.682 -3.411 -7.970 1.00 0.00 O ATOM 936 CG2 THR A 70 15.677 -3.122 -6.659 1.00 0.00 C ATOM 0 H THR A 70 16.242 -0.618 -5.562 1.00 0.00 H new ATOM 0 HA THR A 70 17.850 -0.894 -8.116 1.00 0.00 H new ATOM 0 HB THR A 70 17.682 -2.622 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.736 -4.335 -7.648 1.00 0.00 H new ATOM 0 HG21 THR A 70 15.745 -4.149 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.218 -2.499 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.067 -3.094 -7.562 1.00 0.00 H new ATOM 944 N ASP A 71 15.725 -1.416 -9.533 1.00 0.00 N ATOM 945 CA ASP A 71 14.512 -1.252 -10.383 1.00 0.00 C ATOM 946 C ASP A 71 13.538 -2.396 -10.095 1.00 0.00 C ATOM 947 O ASP A 71 13.235 -3.200 -10.955 1.00 0.00 O ATOM 948 CB ASP A 71 15.020 -1.324 -11.824 1.00 0.00 C ATOM 949 CG ASP A 71 15.986 -0.167 -12.083 1.00 0.00 C ATOM 950 OD1 ASP A 71 17.049 -0.162 -11.484 1.00 0.00 O ATOM 951 OD2 ASP A 71 15.647 0.695 -12.877 1.00 0.00 O ATOM 0 H ASP A 71 16.499 -1.916 -9.970 1.00 0.00 H new ATOM 0 HA ASP A 71 13.985 -0.317 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.522 -2.276 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.182 -1.275 -12.519 1.00 0.00 H new ATOM 956 N VAL A 72 13.060 -2.485 -8.883 1.00 0.00 N ATOM 957 CA VAL A 72 12.124 -3.588 -8.528 1.00 0.00 C ATOM 958 C VAL A 72 10.677 -3.215 -8.861 1.00 0.00 C ATOM 959 O VAL A 72 10.223 -2.122 -8.586 1.00 0.00 O ATOM 960 CB VAL A 72 12.297 -3.782 -7.017 1.00 0.00 C ATOM 961 CG1 VAL A 72 11.504 -2.716 -6.255 1.00 0.00 C ATOM 962 CG2 VAL A 72 11.785 -5.168 -6.622 1.00 0.00 C ATOM 0 H VAL A 72 13.278 -1.840 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 72 12.340 -4.497 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 72 13.354 -3.690 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.634 -2.863 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.866 -1.726 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.447 -2.799 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.907 -5.308 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.730 -5.254 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.353 -5.931 -7.154 1.00 0.00 H new ATOM 972 N THR A 73 9.948 -4.131 -9.433 1.00 0.00 N ATOM 973 CA THR A 73 8.523 -3.861 -9.770 1.00 0.00 C ATOM 974 C THR A 73 7.647 -4.911 -9.087 1.00 0.00 C ATOM 975 O THR A 73 7.414 -5.979 -9.619 1.00 0.00 O ATOM 976 CB THR A 73 8.437 -3.990 -11.292 1.00 0.00 C ATOM 977 OG1 THR A 73 9.243 -2.988 -11.897 1.00 0.00 O ATOM 978 CG2 THR A 73 6.985 -3.820 -11.739 1.00 0.00 C ATOM 0 H THR A 73 10.281 -5.062 -9.683 1.00 0.00 H new ATOM 0 HA THR A 73 8.185 -2.879 -9.438 1.00 0.00 H new ATOM 0 HB THR A 73 8.794 -4.974 -11.595 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.190 -3.070 -12.872 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.925 -3.912 -12.823 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.369 -4.590 -11.275 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.624 -2.836 -11.438 1.00 0.00 H new ATOM 986 N VAL A 74 7.175 -4.629 -7.904 1.00 0.00 N ATOM 987 CA VAL A 74 6.336 -5.628 -7.187 1.00 0.00 C ATOM 988 C VAL A 74 4.858 -5.435 -7.529 1.00 0.00 C ATOM 989 O VAL A 74 4.515 -4.956 -8.591 1.00 0.00 O ATOM 990 CB VAL A 74 6.596 -5.368 -5.702 1.00 0.00 C ATOM 991 CG1 VAL A 74 8.105 -5.266 -5.460 1.00 0.00 C ATOM 992 CG2 VAL A 74 5.927 -4.057 -5.287 1.00 0.00 C ATOM 0 H VAL A 74 7.333 -3.754 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 74 6.583 -6.652 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 74 6.185 -6.188 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.292 -5.081 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.585 -6.199 -5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.513 -4.445 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.113 -3.873 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.338 -3.237 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.853 -4.126 -5.460 1.00 0.00 H new ATOM 1002 N ARG A 75 3.980 -5.817 -6.642 1.00 0.00 N ATOM 1003 CA ARG A 75 2.525 -5.665 -6.924 1.00 0.00 C ATOM 1004 C ARG A 75 1.830 -4.923 -5.780 1.00 0.00 C ATOM 1005 O ARG A 75 1.956 -5.280 -4.625 1.00 0.00 O ATOM 1006 CB ARG A 75 1.994 -7.094 -7.033 1.00 0.00 C ATOM 1007 CG ARG A 75 2.078 -7.565 -8.483 1.00 0.00 C ATOM 1008 CD ARG A 75 0.975 -8.591 -8.743 1.00 0.00 C ATOM 1009 NE ARG A 75 1.139 -9.612 -7.672 1.00 0.00 N ATOM 1010 CZ ARG A 75 0.992 -10.879 -7.949 1.00 0.00 C ATOM 1011 NH1 ARG A 75 -0.120 -11.304 -8.484 1.00 0.00 N ATOM 1012 NH2 ARG A 75 1.956 -11.720 -7.692 1.00 0.00 N ATOM 0 H ARG A 75 4.207 -6.227 -5.736 1.00 0.00 H new ATOM 0 HA ARG A 75 2.342 -5.087 -7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.573 -7.757 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.962 -7.136 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.970 -6.718 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.055 -8.006 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.012 -8.129 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.076 -9.037 -9.732 1.00 0.00 H new ATOM 0 HE ARG A 75 1.366 -9.321 -6.721 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.873 -10.646 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.236 -12.294 -8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.825 -11.387 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.840 -12.710 -7.909 1.00 0.00 H new ATOM 1026 N ALA A 76 1.088 -3.898 -6.096 1.00 0.00 N ATOM 1027 CA ALA A 76 0.374 -3.136 -5.033 1.00 0.00 C ATOM 1028 C ALA A 76 -1.092 -2.944 -5.429 1.00 0.00 C ATOM 1029 O ALA A 76 -1.438 -2.970 -6.596 1.00 0.00 O ATOM 1030 CB ALA A 76 1.093 -1.790 -4.954 1.00 0.00 C ATOM 0 H ALA A 76 0.945 -3.555 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 76 0.382 -3.652 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.623 -1.171 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.140 -1.951 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.030 -1.287 -5.919 1.00 0.00 H new ATOM 1036 N LEU A 77 -1.957 -2.757 -4.470 1.00 0.00 N ATOM 1037 CA LEU A 77 -3.399 -2.572 -4.794 1.00 0.00 C ATOM 1038 C LEU A 77 -4.216 -2.407 -3.507 1.00 0.00 C ATOM 1039 O LEU A 77 -3.709 -1.984 -2.488 1.00 0.00 O ATOM 1040 CB LEU A 77 -3.800 -3.853 -5.530 1.00 0.00 C ATOM 1041 CG LEU A 77 -3.386 -5.071 -4.702 1.00 0.00 C ATOM 1042 CD1 LEU A 77 -4.404 -5.297 -3.583 1.00 0.00 C ATOM 1043 CD2 LEU A 77 -3.338 -6.307 -5.604 1.00 0.00 C ATOM 0 H LEU A 77 -1.727 -2.724 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.580 -1.681 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.877 -3.865 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.322 -3.887 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.401 -4.898 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.109 -6.165 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.440 -4.417 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.389 -5.471 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.043 -7.176 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.323 -6.480 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.613 -6.147 -6.402 1.00 0.00 H new ATOM 1055 N VAL A 78 -5.478 -2.740 -3.549 1.00 0.00 N ATOM 1056 CA VAL A 78 -6.333 -2.607 -2.335 1.00 0.00 C ATOM 1057 C VAL A 78 -7.385 -3.719 -2.331 1.00 0.00 C ATOM 1058 O VAL A 78 -7.527 -4.448 -3.293 1.00 0.00 O ATOM 1059 CB VAL A 78 -6.996 -1.234 -2.464 1.00 0.00 C ATOM 1060 CG1 VAL A 78 -7.590 -0.820 -1.117 1.00 0.00 C ATOM 1061 CG2 VAL A 78 -5.951 -0.202 -2.894 1.00 0.00 C ATOM 0 H VAL A 78 -5.955 -3.100 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.767 -2.692 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.789 -1.286 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.061 0.158 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.335 -1.553 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.798 -0.770 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.422 0.776 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.158 -0.154 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.527 -0.492 -3.855 1.00 0.00 H new ATOM 1071 N GLY A 79 -8.125 -3.865 -1.266 1.00 0.00 N ATOM 1072 CA GLY A 79 -9.155 -4.941 -1.234 1.00 0.00 C ATOM 1073 C GLY A 79 -9.873 -4.940 0.117 1.00 0.00 C ATOM 1074 O GLY A 79 -9.629 -4.101 0.961 1.00 0.00 O ATOM 0 H GLY A 79 -8.062 -3.292 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.875 -4.790 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.686 -5.910 -1.405 1.00 0.00 H new ATOM 1078 N GLN A 80 -10.757 -5.878 0.326 1.00 0.00 N ATOM 1079 CA GLN A 80 -11.493 -5.936 1.622 1.00 0.00 C ATOM 1080 C GLN A 80 -11.082 -7.183 2.408 1.00 0.00 C ATOM 1081 O GLN A 80 -11.713 -8.218 2.324 1.00 0.00 O ATOM 1082 CB GLN A 80 -12.976 -6.001 1.235 1.00 0.00 C ATOM 1083 CG GLN A 80 -13.807 -6.595 2.384 1.00 0.00 C ATOM 1084 CD GLN A 80 -13.297 -6.073 3.732 1.00 0.00 C ATOM 1085 OE1 GLN A 80 -12.879 -6.923 4.632 1.00 0.00 O flip ATOM 1086 NE2 GLN A 80 -13.280 -4.881 3.968 1.00 0.00 N flip ATOM 0 H GLN A 80 -11.001 -6.607 -0.345 1.00 0.00 H new ATOM 0 HA GLN A 80 -11.278 -5.078 2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.339 -5.002 0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.098 -6.609 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.857 -6.331 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -13.747 -7.683 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.606 -4.217 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.939 -4.544 4.869 1.00 0.00 H new ATOM 1095 N ASN A 81 -10.035 -7.093 3.178 1.00 0.00 N ATOM 1096 CA ASN A 81 -9.599 -8.273 3.974 1.00 0.00 C ATOM 1097 C ASN A 81 -10.674 -8.625 5.005 1.00 0.00 C ATOM 1098 O ASN A 81 -10.744 -8.035 6.068 1.00 0.00 O ATOM 1099 CB ASN A 81 -8.308 -7.833 4.666 1.00 0.00 C ATOM 1100 CG ASN A 81 -7.120 -8.072 3.732 1.00 0.00 C ATOM 1101 OD1 ASN A 81 -6.315 -8.951 3.967 1.00 0.00 O ATOM 1102 ND2 ASN A 81 -6.976 -7.321 2.674 1.00 0.00 N ATOM 0 H ASN A 81 -9.463 -6.256 3.291 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.442 -9.158 3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.368 -6.778 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.172 -8.389 5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.188 -7.472 2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.652 -6.583 2.477 1.00 0.00 H new ATOM 1109 N GLY A 82 -11.515 -9.577 4.696 1.00 0.00 N ATOM 1110 CA GLY A 82 -12.590 -9.967 5.653 1.00 0.00 C ATOM 1111 C GLY A 82 -13.817 -10.457 4.880 1.00 0.00 C ATOM 1112 O GLY A 82 -13.962 -11.632 4.609 1.00 0.00 O ATOM 0 H GLY A 82 -11.503 -10.101 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.230 -10.752 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.859 -9.116 6.279 1.00 0.00 H new ATOM 1116 N ALA A 83 -14.703 -9.568 4.526 1.00 0.00 N ATOM 1117 CA ALA A 83 -15.921 -9.985 3.773 1.00 0.00 C ATOM 1118 C ALA A 83 -16.815 -8.767 3.502 1.00 0.00 C ATOM 1119 O ALA A 83 -16.876 -7.860 4.309 1.00 0.00 O ATOM 1120 CB ALA A 83 -16.631 -10.978 4.691 1.00 0.00 C ATOM 0 H ALA A 83 -14.637 -8.570 4.725 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.681 -10.425 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.541 -11.334 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.973 -11.823 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -16.887 -10.487 5.630 1.00 0.00 H new ATOM 1126 N PRO A 84 -17.489 -8.781 2.376 1.00 0.00 N ATOM 1127 CA PRO A 84 -17.388 -9.906 1.416 1.00 0.00 C ATOM 1128 C PRO A 84 -16.191 -9.709 0.477 1.00 0.00 C ATOM 1129 O PRO A 84 -16.250 -10.042 -0.690 1.00 0.00 O ATOM 1130 CB PRO A 84 -18.696 -9.821 0.639 1.00 0.00 C ATOM 1131 CG PRO A 84 -19.134 -8.388 0.736 1.00 0.00 C ATOM 1132 CD PRO A 84 -18.416 -7.751 1.904 1.00 0.00 C ATOM 0 HA PRO A 84 -17.238 -10.871 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -18.554 -10.117 -0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -19.446 -10.489 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -18.903 -7.857 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -20.213 -8.329 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -17.885 -6.850 1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -19.115 -7.459 2.687 1.00 0.00 H new ATOM 1140 N TYR A 85 -15.112 -9.165 0.973 1.00 0.00 N ATOM 1141 CA TYR A 85 -13.915 -8.943 0.110 1.00 0.00 C ATOM 1142 C TYR A 85 -14.270 -8.038 -1.072 1.00 0.00 C ATOM 1143 O TYR A 85 -15.326 -7.437 -1.114 1.00 0.00 O ATOM 1144 CB TYR A 85 -13.502 -10.331 -0.386 1.00 0.00 C ATOM 1145 CG TYR A 85 -13.119 -11.200 0.787 1.00 0.00 C ATOM 1146 CD1 TYR A 85 -11.838 -11.099 1.344 1.00 0.00 C ATOM 1147 CD2 TYR A 85 -14.041 -12.111 1.315 1.00 0.00 C ATOM 1148 CE1 TYR A 85 -11.480 -11.909 2.428 1.00 0.00 C ATOM 1149 CE2 TYR A 85 -13.684 -12.921 2.399 1.00 0.00 C ATOM 1150 CZ TYR A 85 -12.403 -12.820 2.956 1.00 0.00 C ATOM 1151 OH TYR A 85 -12.050 -13.619 4.024 1.00 0.00 O ATOM 0 H TYR A 85 -15.008 -8.864 1.942 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.109 -8.453 0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.323 -10.789 -0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -12.663 -10.246 -1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.126 -10.396 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -15.029 -12.189 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.492 -11.831 2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.396 -13.624 2.806 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.547 -13.338 4.821 1.00 0.00 H new ATOM 1161 N GLY A 86 -13.391 -7.934 -2.029 1.00 0.00 N ATOM 1162 CA GLY A 86 -13.665 -7.066 -3.208 1.00 0.00 C ATOM 1163 C GLY A 86 -12.413 -6.250 -3.531 1.00 0.00 C ATOM 1164 O GLY A 86 -12.029 -5.367 -2.791 1.00 0.00 O ATOM 0 H GLY A 86 -12.491 -8.414 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.948 -7.676 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.503 -6.401 -2.999 1.00 0.00 H new ATOM 1168 N THR A 87 -11.770 -6.540 -4.628 1.00 0.00 N ATOM 1169 CA THR A 87 -10.538 -5.780 -4.990 1.00 0.00 C ATOM 1170 C THR A 87 -10.896 -4.555 -5.833 1.00 0.00 C ATOM 1171 O THR A 87 -11.755 -4.607 -6.692 1.00 0.00 O ATOM 1172 CB THR A 87 -9.682 -6.755 -5.802 1.00 0.00 C ATOM 1173 OG1 THR A 87 -10.526 -7.634 -6.534 1.00 0.00 O ATOM 1174 CG2 THR A 87 -8.793 -7.566 -4.858 1.00 0.00 C ATOM 0 H THR A 87 -12.042 -7.268 -5.289 1.00 0.00 H new ATOM 0 HA THR A 87 -10.012 -5.417 -4.107 1.00 0.00 H new ATOM 0 HB THR A 87 -9.055 -6.194 -6.496 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.977 -8.257 -7.055 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.184 -8.260 -5.438 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.143 -6.891 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.417 -8.126 -4.162 1.00 0.00 H new ATOM 1182 N VAL A 88 -10.238 -3.455 -5.596 1.00 0.00 N ATOM 1183 CA VAL A 88 -10.530 -2.224 -6.383 1.00 0.00 C ATOM 1184 C VAL A 88 -9.271 -1.776 -7.128 1.00 0.00 C ATOM 1185 O VAL A 88 -9.332 -1.010 -8.069 1.00 0.00 O ATOM 1186 CB VAL A 88 -10.939 -1.179 -5.346 1.00 0.00 C ATOM 1187 CG1 VAL A 88 -12.251 -1.601 -4.684 1.00 0.00 C ATOM 1188 CG2 VAL A 88 -9.845 -1.065 -4.283 1.00 0.00 C ATOM 0 H VAL A 88 -9.509 -3.355 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.309 -2.380 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.075 -0.215 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.542 -0.855 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.030 -1.684 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.117 -2.565 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.134 -0.320 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.711 -2.030 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.910 -0.764 -4.754 1.00 0.00 H new ATOM 1198 N LEU A 89 -8.130 -2.252 -6.712 1.00 0.00 N ATOM 1199 CA LEU A 89 -6.864 -1.858 -7.394 1.00 0.00 C ATOM 1200 C LEU A 89 -6.131 -3.088 -7.930 1.00 0.00 C ATOM 1201 O LEU A 89 -6.123 -4.137 -7.318 1.00 0.00 O ATOM 1202 CB LEU A 89 -6.033 -1.170 -6.325 1.00 0.00 C ATOM 1203 CG LEU A 89 -6.328 0.323 -6.366 1.00 0.00 C ATOM 1204 CD1 LEU A 89 -7.607 0.611 -5.583 1.00 0.00 C ATOM 1205 CD2 LEU A 89 -5.159 1.078 -5.747 1.00 0.00 C ATOM 0 H LEU A 89 -8.019 -2.897 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.051 -1.209 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.271 -1.576 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.972 -1.351 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.463 0.646 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.819 1.680 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.438 0.064 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.479 0.295 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.363 2.148 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.026 0.759 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.250 0.868 -6.311 1.00 0.00 H new ATOM 1217 N ASP A 90 -5.512 -2.965 -9.070 1.00 0.00 N ATOM 1218 CA ASP A 90 -4.771 -4.122 -9.647 1.00 0.00 C ATOM 1219 C ASP A 90 -3.607 -3.624 -10.508 1.00 0.00 C ATOM 1220 O ASP A 90 -3.695 -3.589 -11.719 1.00 0.00 O ATOM 1221 CB ASP A 90 -5.797 -4.862 -10.506 1.00 0.00 C ATOM 1222 CG ASP A 90 -6.522 -3.864 -11.411 1.00 0.00 C ATOM 1223 OD1 ASP A 90 -6.025 -3.609 -12.495 1.00 0.00 O ATOM 1224 OD2 ASP A 90 -7.561 -3.372 -11.003 1.00 0.00 O ATOM 0 H ASP A 90 -5.487 -2.112 -9.629 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.345 -4.767 -8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.301 -5.622 -11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.515 -5.379 -9.869 1.00 0.00 H new ATOM 1229 N THR A 91 -2.519 -3.232 -9.900 1.00 0.00 N ATOM 1230 CA THR A 91 -1.367 -2.734 -10.706 1.00 0.00 C ATOM 1231 C THR A 91 -0.040 -3.090 -10.031 1.00 0.00 C ATOM 1232 O THR A 91 -0.007 -3.601 -8.929 1.00 0.00 O ATOM 1233 CB THR A 91 -1.549 -1.216 -10.758 1.00 0.00 C ATOM 1234 OG1 THR A 91 -1.702 -0.714 -9.438 1.00 0.00 O ATOM 1235 CG2 THR A 91 -2.792 -0.877 -11.583 1.00 0.00 C ATOM 0 H THR A 91 -2.379 -3.235 -8.890 1.00 0.00 H new ATOM 0 HA THR A 91 -1.341 -3.181 -11.700 1.00 0.00 H new ATOM 0 HB THR A 91 -0.674 -0.760 -11.221 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.817 0.259 -9.469 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.921 0.205 -11.619 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.673 -1.262 -12.596 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.669 -1.331 -11.123 1.00 0.00 H new ATOM 1243 N SER A 92 1.055 -2.819 -10.688 1.00 0.00 N ATOM 1244 CA SER A 92 2.385 -3.135 -10.093 1.00 0.00 C ATOM 1245 C SER A 92 3.207 -1.850 -9.944 1.00 0.00 C ATOM 1246 O SER A 92 3.478 -1.172 -10.914 1.00 0.00 O ATOM 1247 CB SER A 92 3.049 -4.084 -11.090 1.00 0.00 C ATOM 1248 OG SER A 92 2.062 -4.938 -11.653 1.00 0.00 O ATOM 0 H SER A 92 1.086 -2.391 -11.613 1.00 0.00 H new ATOM 0 HA SER A 92 2.303 -3.581 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.546 -3.515 -11.876 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.817 -4.675 -10.591 1.00 0.00 H new ATOM 0 HG SER A 92 2.484 -5.547 -12.294 1.00 0.00 H new ATOM 1254 N PRO A 93 3.572 -1.557 -8.725 1.00 0.00 N ATOM 1255 CA PRO A 93 4.367 -0.336 -8.439 1.00 0.00 C ATOM 1256 C PRO A 93 5.797 -0.473 -8.966 1.00 0.00 C ATOM 1257 O PRO A 93 6.553 -1.319 -8.530 1.00 0.00 O ATOM 1258 CB PRO A 93 4.363 -0.257 -6.915 1.00 0.00 C ATOM 1259 CG PRO A 93 4.134 -1.660 -6.459 1.00 0.00 C ATOM 1260 CD PRO A 93 3.284 -2.324 -7.508 1.00 0.00 C ATOM 0 HA PRO A 93 3.957 0.554 -8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.308 0.132 -6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.578 0.408 -6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.081 -2.187 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.635 -1.675 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.543 -3.376 -7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.226 -2.284 -7.250 1.00 0.00 H new ATOM 1268 N ALA A 94 6.179 0.365 -9.891 1.00 0.00 N ATOM 1269 CA ALA A 94 7.566 0.296 -10.433 1.00 0.00 C ATOM 1270 C ALA A 94 8.500 1.119 -9.542 1.00 0.00 C ATOM 1271 O ALA A 94 8.151 2.190 -9.088 1.00 0.00 O ATOM 1272 CB ALA A 94 7.479 0.906 -11.832 1.00 0.00 C ATOM 0 H ALA A 94 5.591 1.094 -10.295 1.00 0.00 H new ATOM 0 HA ALA A 94 7.956 -0.721 -10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.465 0.891 -12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.782 0.327 -12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.128 1.935 -11.759 1.00 0.00 H new ATOM 1278 N LEU A 95 9.678 0.628 -9.276 1.00 0.00 N ATOM 1279 CA LEU A 95 10.613 1.392 -8.401 1.00 0.00 C ATOM 1280 C LEU A 95 11.997 1.499 -9.044 1.00 0.00 C ATOM 1281 O LEU A 95 12.289 0.851 -10.030 1.00 0.00 O ATOM 1282 CB LEU A 95 10.682 0.585 -7.105 1.00 0.00 C ATOM 1283 CG LEU A 95 9.335 0.662 -6.387 1.00 0.00 C ATOM 1284 CD1 LEU A 95 9.275 -0.403 -5.292 1.00 0.00 C ATOM 1285 CD2 LEU A 95 9.173 2.048 -5.760 1.00 0.00 C ATOM 0 H LEU A 95 10.033 -0.263 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 95 10.273 2.414 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.932 -0.453 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.472 0.974 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 95 8.532 0.489 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.314 -0.346 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.391 -1.391 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.078 -0.233 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.213 2.105 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.977 2.220 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.213 2.808 -6.541 1.00 0.00 H new ATOM 1297 N THR A 96 12.849 2.317 -8.489 1.00 0.00 N ATOM 1298 CA THR A 96 14.218 2.478 -9.056 1.00 0.00 C ATOM 1299 C THR A 96 15.025 3.457 -8.201 1.00 0.00 C ATOM 1300 O THR A 96 14.548 3.965 -7.206 1.00 0.00 O ATOM 1301 CB THR A 96 14.011 3.041 -10.466 1.00 0.00 C ATOM 1302 OG1 THR A 96 15.224 3.620 -10.925 1.00 0.00 O ATOM 1303 CG2 THR A 96 12.913 4.107 -10.443 1.00 0.00 C ATOM 0 H THR A 96 12.655 2.883 -7.663 1.00 0.00 H new ATOM 0 HA THR A 96 14.768 1.537 -9.076 1.00 0.00 H new ATOM 0 HB THR A 96 13.714 2.234 -11.136 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.094 3.979 -11.828 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.770 4.504 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.982 3.662 -10.093 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.204 4.915 -9.772 1.00 0.00 H new ATOM 1311 N SER A 97 16.243 3.726 -8.581 1.00 0.00 N ATOM 1312 CA SER A 97 17.077 4.673 -7.786 1.00 0.00 C ATOM 1313 C SER A 97 16.438 6.065 -7.783 1.00 0.00 C ATOM 1314 O SER A 97 16.671 6.863 -6.897 1.00 0.00 O ATOM 1315 CB SER A 97 18.428 4.705 -8.498 1.00 0.00 C ATOM 1316 OG SER A 97 18.509 5.876 -9.301 1.00 0.00 O ATOM 0 H SER A 97 16.697 3.333 -9.405 1.00 0.00 H new ATOM 0 HA SER A 97 17.173 4.365 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.237 4.694 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 97 18.546 3.816 -9.118 1.00 0.00 H new ATOM 0 HG SER A 97 19.376 5.900 -9.758 1.00 0.00 H new ATOM 1322 N GLU A 98 15.633 6.360 -8.766 1.00 0.00 N ATOM 1323 CA GLU A 98 14.979 7.696 -8.819 1.00 0.00 C ATOM 1324 C GLU A 98 13.640 7.658 -8.079 1.00 0.00 C ATOM 1325 O GLU A 98 13.121 6.599 -7.788 1.00 0.00 O ATOM 1326 CB GLU A 98 14.763 7.961 -10.308 1.00 0.00 C ATOM 1327 CG GLU A 98 16.045 7.635 -11.077 1.00 0.00 C ATOM 1328 CD GLU A 98 16.248 8.664 -12.190 1.00 0.00 C ATOM 1329 OE1 GLU A 98 15.371 8.779 -13.031 1.00 0.00 O ATOM 1330 OE2 GLU A 98 17.276 9.320 -12.184 1.00 0.00 O ATOM 0 H GLU A 98 15.400 5.732 -9.535 1.00 0.00 H new ATOM 0 HA GLU A 98 15.578 8.474 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.939 7.353 -10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.487 9.004 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.899 7.642 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.983 6.633 -11.501 1.00 0.00 H new ATOM 1337 N PRO A 99 13.124 8.824 -7.799 1.00 0.00 N ATOM 1338 CA PRO A 99 11.829 8.932 -7.083 1.00 0.00 C ATOM 1339 C PRO A 99 10.676 8.533 -8.008 1.00 0.00 C ATOM 1340 O PRO A 99 10.600 8.964 -9.141 1.00 0.00 O ATOM 1341 CB PRO A 99 11.747 10.410 -6.714 1.00 0.00 C ATOM 1342 CG PRO A 99 12.611 11.108 -7.716 1.00 0.00 C ATOM 1343 CD PRO A 99 13.692 10.138 -8.119 1.00 0.00 C ATOM 0 HA PRO A 99 11.761 8.278 -6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.720 10.772 -6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.102 10.583 -5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.025 11.415 -8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.044 12.012 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.930 10.223 -9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.616 10.318 -7.570 1.00 0.00 H new ATOM 1351 N ARG A 100 9.778 7.712 -7.535 1.00 0.00 N ATOM 1352 CA ARG A 100 8.634 7.288 -8.392 1.00 0.00 C ATOM 1353 C ARG A 100 7.308 7.704 -7.751 1.00 0.00 C ATOM 1354 O ARG A 100 6.638 6.912 -7.117 1.00 0.00 O ATOM 1355 CB ARG A 100 8.740 5.765 -8.467 1.00 0.00 C ATOM 1356 CG ARG A 100 8.186 5.280 -9.808 1.00 0.00 C ATOM 1357 CD ARG A 100 6.948 4.413 -9.566 1.00 0.00 C ATOM 1358 NE ARG A 100 5.794 5.282 -9.924 1.00 0.00 N ATOM 1359 CZ ARG A 100 5.373 5.333 -11.158 1.00 0.00 C ATOM 1360 NH1 ARG A 100 5.920 6.167 -12.000 1.00 0.00 N ATOM 1361 NH2 ARG A 100 4.405 4.551 -11.550 1.00 0.00 N ATOM 0 H ARG A 100 9.787 7.317 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 100 8.665 7.748 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.780 5.456 -8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.185 5.310 -7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.929 6.132 -10.437 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.945 4.708 -10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.970 3.513 -10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.890 4.088 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 100 5.332 5.838 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.676 6.779 -11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.591 6.207 -12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.977 3.900 -10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.076 4.591 -12.515 1.00 0.00 H new ATOM 1375 N GLN A 101 6.921 8.939 -7.915 1.00 0.00 N ATOM 1376 CA GLN A 101 5.636 9.404 -7.318 1.00 0.00 C ATOM 1377 C GLN A 101 4.457 8.728 -8.021 1.00 0.00 C ATOM 1378 O GLN A 101 4.573 8.263 -9.138 1.00 0.00 O ATOM 1379 CB GLN A 101 5.610 10.914 -7.557 1.00 0.00 C ATOM 1380 CG GLN A 101 4.962 11.610 -6.359 1.00 0.00 C ATOM 1381 CD GLN A 101 3.760 12.429 -6.832 1.00 0.00 C ATOM 1382 OE1 GLN A 101 2.573 11.887 -6.823 1.00 0.00 O flip ATOM 1383 NE2 GLN A 101 3.902 13.573 -7.215 1.00 0.00 N flip ATOM 0 H GLN A 101 7.439 9.647 -8.436 1.00 0.00 H new ATOM 0 HA GLN A 101 5.559 9.160 -6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.624 11.287 -7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.053 11.139 -8.467 1.00 0.00 H new ATOM 0 HG2 GLN A 101 4.645 10.871 -5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.686 12.259 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 101 4.830 13.997 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.094 14.110 -7.529 1.00 0.00 H new ATOM 1392 N VAL A 102 3.323 8.668 -7.379 1.00 0.00 N ATOM 1393 CA VAL A 102 2.142 8.020 -8.018 1.00 0.00 C ATOM 1394 C VAL A 102 0.897 8.894 -7.850 1.00 0.00 C ATOM 1395 O VAL A 102 0.600 9.369 -6.772 1.00 0.00 O ATOM 1396 CB VAL A 102 1.966 6.694 -7.281 1.00 0.00 C ATOM 1397 CG1 VAL A 102 0.765 5.947 -7.862 1.00 0.00 C ATOM 1398 CG2 VAL A 102 3.227 5.844 -7.453 1.00 0.00 C ATOM 0 H VAL A 102 3.163 9.038 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 102 2.285 7.876 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 102 1.799 6.885 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.637 5.000 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.133 6.553 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.934 5.755 -8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.102 4.897 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.394 5.651 -8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.084 6.377 -7.042 1.00 0.00 H new ATOM 1408 N THR A 103 0.167 9.105 -8.910 1.00 0.00 N ATOM 1409 CA THR A 103 -1.061 9.945 -8.817 1.00 0.00 C ATOM 1410 C THR A 103 -2.088 9.490 -9.858 1.00 0.00 C ATOM 1411 O THR A 103 -2.114 9.977 -10.971 1.00 0.00 O ATOM 1412 CB THR A 103 -0.593 11.372 -9.112 1.00 0.00 C ATOM 1413 OG1 THR A 103 0.822 11.439 -8.999 1.00 0.00 O ATOM 1414 CG2 THR A 103 -1.233 12.337 -8.113 1.00 0.00 C ATOM 0 H THR A 103 0.368 8.732 -9.838 1.00 0.00 H new ATOM 0 HA THR A 103 -1.540 9.870 -7.841 1.00 0.00 H new ATOM 0 HB THR A 103 -0.890 11.650 -10.123 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.068 11.615 -8.067 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.899 13.353 -8.324 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.318 12.286 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.938 12.061 -7.101 1.00 0.00 H new ATOM 1422 N GLU A 104 -2.932 8.559 -9.509 1.00 0.00 N ATOM 1423 CA GLU A 104 -3.952 8.075 -10.484 1.00 0.00 C ATOM 1424 C GLU A 104 -5.283 7.815 -9.774 1.00 0.00 C ATOM 1425 O GLU A 104 -5.359 7.805 -8.562 1.00 0.00 O ATOM 1426 CB GLU A 104 -3.378 6.773 -11.043 1.00 0.00 C ATOM 1427 CG GLU A 104 -2.516 7.078 -12.269 1.00 0.00 C ATOM 1428 CD GLU A 104 -3.161 6.463 -13.513 1.00 0.00 C ATOM 1429 OE1 GLU A 104 -4.335 6.136 -13.447 1.00 0.00 O ATOM 1430 OE2 GLU A 104 -2.471 6.330 -14.510 1.00 0.00 O ATOM 0 H GLU A 104 -2.960 8.112 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.150 8.804 -11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.781 6.270 -10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.186 6.094 -11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.413 8.156 -12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.512 6.676 -12.130 1.00 0.00 H new ATOM 1437 N THR A 105 -6.332 7.604 -10.521 1.00 0.00 N ATOM 1438 CA THR A 105 -7.657 7.345 -9.889 1.00 0.00 C ATOM 1439 C THR A 105 -8.206 5.991 -10.349 1.00 0.00 C ATOM 1440 O THR A 105 -7.581 5.286 -11.116 1.00 0.00 O ATOM 1441 CB THR A 105 -8.558 8.482 -10.374 1.00 0.00 C ATOM 1442 OG1 THR A 105 -8.068 8.974 -11.614 1.00 0.00 O ATOM 1443 CG2 THR A 105 -8.562 9.609 -9.341 1.00 0.00 C ATOM 0 H THR A 105 -6.329 7.600 -11.541 1.00 0.00 H new ATOM 0 HA THR A 105 -7.596 7.310 -8.801 1.00 0.00 H new ATOM 0 HB THR A 105 -9.574 8.111 -10.505 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.645 9.702 -11.928 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.204 10.418 -9.688 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.937 9.230 -8.390 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.547 9.983 -9.207 1.00 0.00 H new ATOM 1451 N PHE A 106 -9.370 5.623 -9.888 1.00 0.00 N ATOM 1452 CA PHE A 106 -9.955 4.315 -10.300 1.00 0.00 C ATOM 1453 C PHE A 106 -11.339 4.132 -9.672 1.00 0.00 C ATOM 1454 O PHE A 106 -11.648 4.707 -8.647 1.00 0.00 O ATOM 1455 CB PHE A 106 -8.983 3.262 -9.769 1.00 0.00 C ATOM 1456 CG PHE A 106 -8.967 3.307 -8.261 1.00 0.00 C ATOM 1457 CD1 PHE A 106 -8.083 4.165 -7.596 1.00 0.00 C ATOM 1458 CD2 PHE A 106 -9.838 2.493 -7.527 1.00 0.00 C ATOM 1459 CE1 PHE A 106 -8.068 4.207 -6.196 1.00 0.00 C ATOM 1460 CE2 PHE A 106 -9.823 2.535 -6.127 1.00 0.00 C ATOM 1461 CZ PHE A 106 -8.939 3.393 -5.462 1.00 0.00 C ATOM 0 H PHE A 106 -9.941 6.171 -9.244 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.085 4.243 -11.380 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.282 2.271 -10.111 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.982 3.446 -10.160 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.413 4.794 -8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.521 1.833 -8.040 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.385 4.867 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.493 1.906 -5.561 1.00 0.00 H new ATOM 0 HZ PHE A 106 -8.929 3.427 -4.383 1.00 0.00 H new ATOM 1471 N THR A 107 -12.174 3.332 -10.277 1.00 0.00 N ATOM 1472 CA THR A 107 -13.536 3.110 -9.712 1.00 0.00 C ATOM 1473 C THR A 107 -13.524 1.907 -8.765 1.00 0.00 C ATOM 1474 O THR A 107 -13.639 0.773 -9.185 1.00 0.00 O ATOM 1475 CB THR A 107 -14.427 2.830 -10.924 1.00 0.00 C ATOM 1476 OG1 THR A 107 -14.421 3.961 -11.784 1.00 0.00 O ATOM 1477 CG2 THR A 107 -15.855 2.548 -10.457 1.00 0.00 C ATOM 0 H THR A 107 -11.972 2.823 -11.137 1.00 0.00 H new ATOM 0 HA THR A 107 -13.889 3.965 -9.136 1.00 0.00 H new ATOM 0 HB THR A 107 -14.047 1.962 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 107 -14.990 3.783 -12.562 1.00 0.00 H new ATOM 0 HG21 THR A 107 -16.488 2.349 -11.322 1.00 0.00 H new ATOM 0 HG22 THR A 107 -15.857 1.680 -9.798 1.00 0.00 H new ATOM 0 HG23 THR A 107 -16.239 3.414 -9.918 1.00 0.00 H new ATOM 1485 N ALA A 108 -13.381 2.145 -7.490 1.00 0.00 N ATOM 1486 CA ALA A 108 -13.357 1.015 -6.518 1.00 0.00 C ATOM 1487 C ALA A 108 -14.714 0.312 -6.483 1.00 0.00 C ATOM 1488 O ALA A 108 -15.703 0.874 -6.060 1.00 0.00 O ATOM 1489 CB ALA A 108 -13.060 1.660 -5.164 1.00 0.00 C ATOM 0 H ALA A 108 -13.280 3.073 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.615 0.262 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.026 0.890 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.099 2.172 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.843 2.379 -4.924 1.00 0.00 H new ATOM 1495 N SER A 109 -14.769 -0.916 -6.919 1.00 0.00 N ATOM 1496 CA SER A 109 -16.063 -1.654 -6.902 1.00 0.00 C ATOM 1497 C SER A 109 -16.132 -2.559 -5.670 1.00 0.00 C ATOM 1498 O SER A 109 -16.327 -3.753 -5.775 1.00 0.00 O ATOM 1499 CB SER A 109 -16.061 -2.489 -8.182 1.00 0.00 C ATOM 1500 OG SER A 109 -15.407 -3.727 -7.934 1.00 0.00 O ATOM 0 H SER A 109 -13.975 -1.440 -7.286 1.00 0.00 H new ATOM 0 HA SER A 109 -16.922 -0.985 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.083 -2.665 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.553 -1.950 -8.981 1.00 0.00 H new ATOM 0 HG SER A 109 -15.943 -4.261 -7.311 1.00 0.00 H new ATOM 1506 N ALA A 110 -15.969 -1.999 -4.501 1.00 0.00 N ATOM 1507 CA ALA A 110 -16.021 -2.833 -3.264 1.00 0.00 C ATOM 1508 C ALA A 110 -16.347 -1.964 -2.046 1.00 0.00 C ATOM 1509 O ALA A 110 -16.861 -0.871 -2.171 1.00 0.00 O ATOM 1510 CB ALA A 110 -14.622 -3.436 -3.134 1.00 0.00 C ATOM 0 H ALA A 110 -15.803 -1.004 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.793 -3.600 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -14.578 -4.065 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.402 -4.038 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -13.887 -2.635 -3.048 1.00 0.00 H new ATOM 1516 N THR A 111 -16.053 -2.446 -0.868 1.00 0.00 N ATOM 1517 CA THR A 111 -16.349 -1.650 0.358 1.00 0.00 C ATOM 1518 C THR A 111 -15.377 -2.023 1.483 1.00 0.00 C ATOM 1519 O THR A 111 -15.343 -3.149 1.937 1.00 0.00 O ATOM 1520 CB THR A 111 -17.779 -2.035 0.741 1.00 0.00 C ATOM 1521 OG1 THR A 111 -18.604 -1.993 -0.415 1.00 0.00 O ATOM 1522 CG2 THR A 111 -18.312 -1.057 1.788 1.00 0.00 C ATOM 0 H THR A 111 -15.621 -3.355 -0.702 1.00 0.00 H new ATOM 0 HA THR A 111 -16.242 -0.578 0.189 1.00 0.00 H new ATOM 0 HB THR A 111 -17.785 -3.043 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 111 -19.520 -2.241 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 111 -19.331 -1.334 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 111 -17.679 -1.092 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 111 -18.307 -0.047 1.378 1.00 0.00 H new ATOM 1530 N TYR A 112 -14.594 -1.084 1.941 1.00 0.00 N ATOM 1531 CA TYR A 112 -13.633 -1.384 3.041 1.00 0.00 C ATOM 1532 C TYR A 112 -14.037 -0.623 4.306 1.00 0.00 C ATOM 1533 O TYR A 112 -13.670 0.522 4.483 1.00 0.00 O ATOM 1534 CB TYR A 112 -12.274 -0.895 2.537 1.00 0.00 C ATOM 1535 CG TYR A 112 -11.965 -1.515 1.194 1.00 0.00 C ATOM 1536 CD1 TYR A 112 -12.589 -2.706 0.804 1.00 0.00 C ATOM 1537 CD2 TYR A 112 -11.050 -0.892 0.336 1.00 0.00 C ATOM 1538 CE1 TYR A 112 -12.301 -3.272 -0.445 1.00 0.00 C ATOM 1539 CE2 TYR A 112 -10.761 -1.459 -0.911 1.00 0.00 C ATOM 1540 CZ TYR A 112 -11.387 -2.647 -1.301 1.00 0.00 C ATOM 1541 OH TYR A 112 -11.108 -3.200 -2.534 1.00 0.00 O ATOM 0 H TYR A 112 -14.578 -0.122 1.601 1.00 0.00 H new ATOM 0 HA TYR A 112 -13.612 -2.445 3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -12.278 0.192 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -11.496 -1.156 3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -13.293 -3.189 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -10.567 0.026 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -12.784 -4.190 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -10.055 -0.979 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 112 -11.698 -3.966 -2.690 1.00 0.00 H new ATOM 1551 N PRO A 113 -14.784 -1.288 5.144 1.00 0.00 N ATOM 1552 CA PRO A 113 -15.249 -0.668 6.409 1.00 0.00 C ATOM 1553 C PRO A 113 -14.092 -0.547 7.404 1.00 0.00 C ATOM 1554 O PRO A 113 -13.273 -1.436 7.529 1.00 0.00 O ATOM 1555 CB PRO A 113 -16.306 -1.644 6.918 1.00 0.00 C ATOM 1556 CG PRO A 113 -15.946 -2.960 6.304 1.00 0.00 C ATOM 1557 CD PRO A 113 -15.263 -2.666 4.993 1.00 0.00 C ATOM 0 HA PRO A 113 -15.638 0.341 6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.299 -1.701 8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.307 -1.331 6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.287 -3.525 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.837 -3.568 6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.440 -3.357 4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.952 -2.759 4.154 1.00 0.00 H new ATOM 1565 N ALA A 114 -14.018 0.546 8.113 1.00 0.00 N ATOM 1566 CA ALA A 114 -12.914 0.722 9.100 1.00 0.00 C ATOM 1567 C ALA A 114 -13.197 -0.096 10.363 1.00 0.00 C ATOM 1568 O ALA A 114 -12.427 -0.091 11.303 1.00 0.00 O ATOM 1569 CB ALA A 114 -12.904 2.217 9.420 1.00 0.00 C ATOM 0 H ALA A 114 -14.674 1.325 8.052 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.954 0.382 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.116 2.429 10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.721 2.783 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.868 2.506 9.839 1.00 0.00 H new ATOM 1661 N GLU A 122 -10.958 -6.306 7.934 1.00 0.00 N ATOM 1662 CA GLU A 122 -11.614 -5.214 7.156 1.00 0.00 C ATOM 1663 C GLU A 122 -10.884 -4.991 5.830 1.00 0.00 C ATOM 1664 O GLU A 122 -10.216 -5.870 5.324 1.00 0.00 O ATOM 1665 CB GLU A 122 -11.502 -3.974 8.044 1.00 0.00 C ATOM 1666 CG GLU A 122 -10.041 -3.524 8.109 1.00 0.00 C ATOM 1667 CD GLU A 122 -9.917 -2.326 9.052 1.00 0.00 C ATOM 1668 OE1 GLU A 122 -10.395 -1.262 8.692 1.00 0.00 O ATOM 1669 OE2 GLU A 122 -9.346 -2.492 10.117 1.00 0.00 O ATOM 0 HA GLU A 122 -12.649 -5.449 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -12.124 -3.172 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.870 -4.196 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.413 -4.343 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.688 -3.255 7.114 1.00 0.00 H new ATOM 1676 N GLY A 123 -11.005 -3.821 5.263 1.00 0.00 N ATOM 1677 CA GLY A 123 -10.319 -3.543 3.969 1.00 0.00 C ATOM 1678 C GLY A 123 -9.031 -2.763 4.230 1.00 0.00 C ATOM 1679 O GLY A 123 -8.959 -1.945 5.125 1.00 0.00 O ATOM 0 H GLY A 123 -11.550 -3.045 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -10.092 -4.478 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.976 -2.972 3.313 1.00 0.00 H new ATOM 1683 N GLN A 124 -8.008 -3.013 3.458 1.00 0.00 N ATOM 1684 CA GLN A 124 -6.723 -2.288 3.669 1.00 0.00 C ATOM 1685 C GLN A 124 -5.962 -2.145 2.348 1.00 0.00 C ATOM 1686 O GLN A 124 -6.541 -2.149 1.278 1.00 0.00 O ATOM 1687 CB GLN A 124 -5.939 -3.168 4.643 1.00 0.00 C ATOM 1688 CG GLN A 124 -5.675 -4.530 3.999 1.00 0.00 C ATOM 1689 CD GLN A 124 -5.464 -5.579 5.092 1.00 0.00 C ATOM 1690 OE1 GLN A 124 -6.404 -5.782 5.975 1.00 0.00 O flip ATOM 1691 NE2 GLN A 124 -4.434 -6.221 5.143 1.00 0.00 N flip ATOM 0 H GLN A 124 -8.007 -3.687 2.692 1.00 0.00 H new ATOM 0 HA GLN A 124 -6.877 -1.279 4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.996 -2.688 4.905 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -6.500 -3.294 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -6.515 -4.814 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -4.796 -4.476 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.700 -6.062 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.304 -6.919 5.876 1.00 0.00 H new ATOM 1700 N ILE A 125 -4.662 -2.030 2.421 1.00 0.00 N ATOM 1701 CA ILE A 125 -3.845 -1.896 1.182 1.00 0.00 C ATOM 1702 C ILE A 125 -2.878 -3.077 1.084 1.00 0.00 C ATOM 1703 O ILE A 125 -2.354 -3.544 2.080 1.00 0.00 O ATOM 1704 CB ILE A 125 -3.078 -0.582 1.347 1.00 0.00 C ATOM 1705 CG1 ILE A 125 -4.013 0.593 1.050 1.00 0.00 C ATOM 1706 CG2 ILE A 125 -1.896 -0.550 0.374 1.00 0.00 C ATOM 1707 CD1 ILE A 125 -3.480 1.854 1.731 1.00 0.00 C ATOM 0 H ILE A 125 -4.130 -2.023 3.291 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.451 -1.892 0.276 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.707 -0.506 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.085 0.751 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.018 0.371 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.352 0.387 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.229 -1.386 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.265 -0.627 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -4.146 2.691 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.431 1.693 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.483 2.079 1.352 1.00 0.00 H new ATOM 1719 N ALA A 126 -2.654 -3.578 -0.101 1.00 0.00 N ATOM 1720 CA ALA A 126 -1.743 -4.746 -0.249 1.00 0.00 C ATOM 1721 C ALA A 126 -0.470 -4.380 -1.020 1.00 0.00 C ATOM 1722 O ALA A 126 -0.503 -4.062 -2.192 1.00 0.00 O ATOM 1723 CB ALA A 126 -2.557 -5.778 -1.029 1.00 0.00 C ATOM 0 H ALA A 126 -3.061 -3.230 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 126 -1.410 -5.115 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.956 -6.675 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -3.455 -6.034 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.841 -5.362 -1.996 1.00 0.00 H new ATOM 1729 N PHE A 127 0.654 -4.464 -0.366 1.00 0.00 N ATOM 1730 CA PHE A 127 1.956 -4.171 -1.031 1.00 0.00 C ATOM 1731 C PHE A 127 2.815 -5.432 -0.956 1.00 0.00 C ATOM 1732 O PHE A 127 3.729 -5.527 -0.165 1.00 0.00 O ATOM 1733 CB PHE A 127 2.585 -3.050 -0.205 1.00 0.00 C ATOM 1734 CG PHE A 127 2.187 -1.709 -0.767 1.00 0.00 C ATOM 1735 CD1 PHE A 127 0.835 -1.391 -0.930 1.00 0.00 C ATOM 1736 CD2 PHE A 127 3.174 -0.783 -1.122 1.00 0.00 C ATOM 1737 CE1 PHE A 127 0.468 -0.143 -1.449 1.00 0.00 C ATOM 1738 CE2 PHE A 127 2.809 0.464 -1.641 1.00 0.00 C ATOM 1739 CZ PHE A 127 1.456 0.784 -1.804 1.00 0.00 C ATOM 0 H PHE A 127 0.728 -4.727 0.617 1.00 0.00 H new ATOM 0 HA PHE A 127 1.854 -3.880 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 127 2.263 -3.128 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.671 -3.148 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.074 -2.107 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.218 -1.031 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.576 0.104 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 127 3.570 1.179 -1.916 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.174 1.747 -2.204 1.00 0.00 H new ATOM 1749 N GLN A 128 2.502 -6.418 -1.747 1.00 0.00 N ATOM 1750 CA GLN A 128 3.267 -7.695 -1.675 1.00 0.00 C ATOM 1751 C GLN A 128 4.508 -7.674 -2.566 1.00 0.00 C ATOM 1752 O GLN A 128 4.441 -7.421 -3.752 1.00 0.00 O ATOM 1753 CB GLN A 128 2.287 -8.762 -2.161 1.00 0.00 C ATOM 1754 CG GLN A 128 0.954 -8.603 -1.429 1.00 0.00 C ATOM 1755 CD GLN A 128 0.577 -9.926 -0.760 1.00 0.00 C ATOM 1756 OE1 GLN A 128 1.358 -10.857 -0.746 1.00 0.00 O ATOM 1757 NE2 GLN A 128 -0.595 -10.050 -0.200 1.00 0.00 N ATOM 0 H GLN A 128 1.752 -6.397 -2.438 1.00 0.00 H new ATOM 0 HA GLN A 128 3.631 -7.878 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 128 2.136 -8.670 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 128 2.697 -9.756 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 128 1.030 -7.814 -0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 128 0.175 -8.303 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.251 -9.269 -0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.855 -10.928 0.249 1.00 0.00 H new ATOM 1766 N LEU A 129 5.639 -7.971 -1.986 1.00 0.00 N ATOM 1767 CA LEU A 129 6.905 -8.012 -2.763 1.00 0.00 C ATOM 1768 C LEU A 129 7.392 -9.465 -2.813 1.00 0.00 C ATOM 1769 O LEU A 129 8.496 -9.786 -2.417 1.00 0.00 O ATOM 1770 CB LEU A 129 7.901 -7.124 -1.998 1.00 0.00 C ATOM 1771 CG LEU A 129 7.171 -5.949 -1.336 1.00 0.00 C ATOM 1772 CD1 LEU A 129 8.188 -4.883 -0.926 1.00 0.00 C ATOM 1773 CD2 LEU A 129 6.169 -5.341 -2.322 1.00 0.00 C ATOM 0 H LEU A 129 5.738 -8.189 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 129 6.788 -7.657 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.416 -7.714 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.663 -6.749 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 129 6.639 -6.307 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.670 -4.048 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.900 -5.312 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.720 -4.529 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 129 5.652 -4.507 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 129 6.698 -4.985 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 129 5.442 -6.098 -2.615 1.00 0.00 H new ATOM 1785 N GLY A 130 6.555 -10.349 -3.281 1.00 0.00 N ATOM 1786 CA GLY A 130 6.942 -11.787 -3.352 1.00 0.00 C ATOM 1787 C GLY A 130 7.947 -11.993 -4.485 1.00 0.00 C ATOM 1788 O GLY A 130 7.587 -12.339 -5.593 1.00 0.00 O ATOM 0 H GLY A 130 5.616 -10.137 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.377 -12.104 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 130 6.059 -12.404 -3.519 1.00 0.00 H new ATOM 1792 N GLY A 131 9.207 -11.784 -4.217 1.00 0.00 N ATOM 1793 CA GLY A 131 10.235 -11.969 -5.279 1.00 0.00 C ATOM 1794 C GLY A 131 9.924 -11.050 -6.461 1.00 0.00 C ATOM 1795 O GLY A 131 8.922 -11.202 -7.132 1.00 0.00 O ATOM 0 H GLY A 131 9.569 -11.493 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 131 11.226 -11.746 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.250 -13.008 -5.608 1.00 0.00 H new ATOM 1799 N PHE A 132 10.776 -10.097 -6.723 1.00 0.00 N ATOM 1800 CA PHE A 132 10.528 -9.168 -7.863 1.00 0.00 C ATOM 1801 C PHE A 132 11.856 -8.729 -8.486 1.00 0.00 C ATOM 1802 O PHE A 132 12.090 -8.913 -9.664 1.00 0.00 O ATOM 1803 CB PHE A 132 9.800 -7.973 -7.248 1.00 0.00 C ATOM 1804 CG PHE A 132 8.314 -8.241 -7.235 1.00 0.00 C ATOM 1805 CD1 PHE A 132 7.638 -8.498 -8.435 1.00 0.00 C ATOM 1806 CD2 PHE A 132 7.611 -8.230 -6.024 1.00 0.00 C ATOM 1807 CE1 PHE A 132 6.259 -8.744 -8.422 1.00 0.00 C ATOM 1808 CE2 PHE A 132 6.232 -8.476 -6.013 1.00 0.00 C ATOM 1809 CZ PHE A 132 5.557 -8.733 -7.211 1.00 0.00 C ATOM 0 H PHE A 132 11.633 -9.921 -6.198 1.00 0.00 H new ATOM 0 HA PHE A 132 9.945 -9.634 -8.658 1.00 0.00 H new ATOM 0 HB2 PHE A 132 10.158 -7.799 -6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 132 10.013 -7.070 -7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 132 8.180 -8.506 -9.369 1.00 0.00 H new ATOM 0 HD2 PHE A 132 8.132 -8.032 -5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 132 5.737 -8.942 -9.347 1.00 0.00 H new ATOM 0 HE2 PHE A 132 5.690 -8.467 -5.079 1.00 0.00 H new ATOM 0 HZ PHE A 132 4.494 -8.923 -7.202 1.00 0.00 H new ATOM 1819 N SER A 133 12.728 -8.149 -7.707 1.00 0.00 N ATOM 1820 CA SER A 133 14.039 -7.701 -8.260 1.00 0.00 C ATOM 1821 C SER A 133 15.072 -8.826 -8.148 1.00 0.00 C ATOM 1822 O SER A 133 14.816 -9.861 -7.566 1.00 0.00 O ATOM 1823 CB SER A 133 14.447 -6.510 -7.394 1.00 0.00 C ATOM 1824 OG SER A 133 15.843 -6.280 -7.541 1.00 0.00 O ATOM 0 H SER A 133 12.590 -7.966 -6.713 1.00 0.00 H new ATOM 0 HA SER A 133 13.974 -7.434 -9.315 1.00 0.00 H new ATOM 0 HB2 SER A 133 13.887 -5.622 -7.689 1.00 0.00 H new ATOM 0 HB3 SER A 133 14.207 -6.706 -6.349 1.00 0.00 H new ATOM 0 HG SER A 133 15.987 -5.448 -8.039 1.00 0.00 H new ATOM 1830 N ALA A 134 16.239 -8.632 -8.703 1.00 0.00 N ATOM 1831 CA ALA A 134 17.285 -9.693 -8.627 1.00 0.00 C ATOM 1832 C ALA A 134 17.892 -9.738 -7.221 1.00 0.00 C ATOM 1833 O ALA A 134 17.377 -10.392 -6.335 1.00 0.00 O ATOM 1834 CB ALA A 134 18.337 -9.286 -9.659 1.00 0.00 C ATOM 0 H ALA A 134 16.513 -7.787 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 134 16.884 -10.686 -8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 134 19.144 -10.019 -9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.879 -9.242 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 134 18.739 -8.306 -9.402 1.00 0.00 H new ATOM 1840 N ASP A 135 18.979 -9.046 -7.004 1.00 0.00 N ATOM 1841 CA ASP A 135 19.606 -9.053 -5.651 1.00 0.00 C ATOM 1842 C ASP A 135 18.659 -8.414 -4.634 1.00 0.00 C ATOM 1843 O ASP A 135 17.499 -8.191 -4.911 1.00 0.00 O ATOM 1844 CB ASP A 135 20.879 -8.219 -5.800 1.00 0.00 C ATOM 1845 CG ASP A 135 21.954 -9.048 -6.504 1.00 0.00 C ATOM 1846 OD1 ASP A 135 21.676 -9.552 -7.580 1.00 0.00 O ATOM 1847 OD2 ASP A 135 23.038 -9.165 -5.956 1.00 0.00 O ATOM 0 H ASP A 135 19.458 -8.478 -7.703 1.00 0.00 H new ATOM 0 HA ASP A 135 19.822 -10.061 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 135 20.669 -7.315 -6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 135 21.234 -7.901 -4.820 1.00 0.00 H new ATOM 1852 N ALA A 136 19.142 -8.120 -3.458 1.00 0.00 N ATOM 1853 CA ALA A 136 18.263 -7.497 -2.426 1.00 0.00 C ATOM 1854 C ALA A 136 18.069 -6.008 -2.720 1.00 0.00 C ATOM 1855 O ALA A 136 18.932 -5.357 -3.275 1.00 0.00 O ATOM 1856 CB ALA A 136 19.006 -7.691 -1.104 1.00 0.00 C ATOM 0 H ALA A 136 20.106 -8.284 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 136 17.270 -7.946 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 136 18.422 -7.258 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 136 19.150 -8.756 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 136 19.977 -7.198 -1.156 1.00 0.00 H new ATOM 1862 N TRP A 137 16.945 -5.463 -2.344 1.00 0.00 N ATOM 1863 CA TRP A 137 16.701 -4.014 -2.594 1.00 0.00 C ATOM 1864 C TRP A 137 15.820 -3.434 -1.495 1.00 0.00 C ATOM 1865 O TRP A 137 15.807 -3.919 -0.380 1.00 0.00 O ATOM 1866 CB TRP A 137 16.019 -3.940 -3.961 1.00 0.00 C ATOM 1867 CG TRP A 137 14.619 -4.463 -3.882 1.00 0.00 C ATOM 1868 CD1 TRP A 137 13.513 -3.696 -3.747 1.00 0.00 C ATOM 1869 CD2 TRP A 137 14.152 -5.843 -3.949 1.00 0.00 C ATOM 1870 NE1 TRP A 137 12.400 -4.517 -3.727 1.00 0.00 N ATOM 1871 CE2 TRP A 137 12.741 -5.845 -3.848 1.00 0.00 C ATOM 1872 CE3 TRP A 137 14.805 -7.081 -4.085 1.00 0.00 C ATOM 1873 CZ2 TRP A 137 12.004 -7.028 -3.883 1.00 0.00 C ATOM 1874 CZ3 TRP A 137 14.065 -8.276 -4.118 1.00 0.00 C ATOM 1875 CH2 TRP A 137 12.667 -8.247 -4.018 1.00 0.00 C ATOM 0 H TRP A 137 16.186 -5.957 -1.875 1.00 0.00 H new ATOM 0 HA TRP A 137 17.623 -3.432 -2.589 1.00 0.00 H new ATOM 0 HB2 TRP A 137 16.008 -2.908 -4.312 1.00 0.00 H new ATOM 0 HB3 TRP A 137 16.588 -4.518 -4.689 1.00 0.00 H new ATOM 0 HD1 TRP A 137 13.501 -2.619 -3.668 1.00 0.00 H new ATOM 0 HE1 TRP A 137 11.442 -4.179 -3.634 1.00 0.00 H new ATOM 0 HE3 TRP A 137 15.882 -7.114 -4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 10.927 -7.000 -3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 14.576 -9.222 -4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 137 12.104 -9.168 -4.046 1.00 0.00 H new ATOM 1886 N THR A 138 15.107 -2.382 -1.775 1.00 0.00 N ATOM 1887 CA THR A 138 14.272 -1.776 -0.708 1.00 0.00 C ATOM 1888 C THR A 138 13.168 -0.890 -1.300 1.00 0.00 C ATOM 1889 O THR A 138 13.223 -0.491 -2.445 1.00 0.00 O ATOM 1890 CB THR A 138 15.286 -0.955 0.100 1.00 0.00 C ATOM 1891 OG1 THR A 138 14.862 -0.865 1.451 1.00 0.00 O ATOM 1892 CG2 THR A 138 15.425 0.454 -0.487 1.00 0.00 C ATOM 0 H THR A 138 15.066 -1.921 -2.684 1.00 0.00 H new ATOM 0 HA THR A 138 13.745 -2.513 -0.103 1.00 0.00 H new ATOM 0 HB THR A 138 16.254 -1.454 0.052 1.00 0.00 H new ATOM 0 HG1 THR A 138 13.960 -1.239 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 138 16.148 1.022 0.098 1.00 0.00 H new ATOM 0 HG22 THR A 138 15.767 0.386 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 138 14.459 0.957 -0.458 1.00 0.00 H new ATOM 1900 N LEU A 139 12.173 -0.574 -0.516 1.00 0.00 N ATOM 1901 CA LEU A 139 11.069 0.297 -1.014 1.00 0.00 C ATOM 1902 C LEU A 139 10.883 1.480 -0.065 1.00 0.00 C ATOM 1903 O LEU A 139 10.705 1.308 1.123 1.00 0.00 O ATOM 1904 CB LEU A 139 9.819 -0.581 -1.012 1.00 0.00 C ATOM 1905 CG LEU A 139 9.681 -1.272 -2.366 1.00 0.00 C ATOM 1906 CD1 LEU A 139 10.394 -2.624 -2.326 1.00 0.00 C ATOM 1907 CD2 LEU A 139 8.198 -1.480 -2.679 1.00 0.00 C ATOM 0 H LEU A 139 12.077 -0.883 0.451 1.00 0.00 H new ATOM 0 HA LEU A 139 11.277 0.696 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 139 9.885 -1.324 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 139 8.936 0.025 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 139 10.132 -0.652 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 139 10.295 -3.116 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 139 11.450 -2.472 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 139 9.946 -3.249 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 139 8.096 -1.973 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 139 7.746 -2.101 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 139 7.694 -0.514 -2.710 1.00 0.00 H new ATOM 1919 N CYS A 140 10.926 2.678 -0.572 1.00 0.00 N ATOM 1920 CA CYS A 140 10.757 3.861 0.318 1.00 0.00 C ATOM 1921 C CYS A 140 9.559 4.704 -0.124 1.00 0.00 C ATOM 1922 O CYS A 140 9.650 5.500 -1.038 1.00 0.00 O ATOM 1923 CB CYS A 140 12.056 4.654 0.175 1.00 0.00 C ATOM 1924 SG CYS A 140 13.361 3.851 1.139 1.00 0.00 S ATOM 0 H CYS A 140 11.070 2.891 -1.559 1.00 0.00 H new ATOM 0 HA CYS A 140 10.567 3.570 1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 140 12.346 4.711 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 140 11.910 5.677 0.521 1.00 0.00 H new ATOM 1929 N LEU A 141 8.440 4.545 0.528 1.00 0.00 N ATOM 1930 CA LEU A 141 7.241 5.346 0.156 1.00 0.00 C ATOM 1931 C LEU A 141 7.232 6.652 0.954 1.00 0.00 C ATOM 1932 O LEU A 141 8.262 7.132 1.385 1.00 0.00 O ATOM 1933 CB LEU A 141 6.040 4.477 0.538 1.00 0.00 C ATOM 1934 CG LEU A 141 6.150 3.114 -0.150 1.00 0.00 C ATOM 1935 CD1 LEU A 141 5.726 2.014 0.826 1.00 0.00 C ATOM 1936 CD2 LEU A 141 5.231 3.083 -1.374 1.00 0.00 C ATOM 0 H LEU A 141 8.305 3.895 1.302 1.00 0.00 H new ATOM 0 HA LEU A 141 7.226 5.607 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 141 6.002 4.347 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.114 4.970 0.243 1.00 0.00 H new ATOM 0 HG LEU A 141 7.181 2.949 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.804 1.043 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.377 2.033 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.695 2.181 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.310 2.112 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 141 4.201 3.248 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.528 3.866 -2.072 1.00 0.00 H new ATOM 1948 N ASP A 142 6.082 7.228 1.159 1.00 0.00 N ATOM 1949 CA ASP A 142 6.014 8.499 1.934 1.00 0.00 C ATOM 1950 C ASP A 142 4.558 8.944 2.084 1.00 0.00 C ATOM 1951 O ASP A 142 3.652 8.135 2.092 1.00 0.00 O ATOM 1952 CB ASP A 142 6.802 9.514 1.105 1.00 0.00 C ATOM 1953 CG ASP A 142 6.027 9.844 -0.173 1.00 0.00 C ATOM 1954 OD1 ASP A 142 5.039 9.177 -0.432 1.00 0.00 O ATOM 1955 OD2 ASP A 142 6.435 10.759 -0.870 1.00 0.00 O ATOM 0 H ASP A 142 5.186 6.875 0.824 1.00 0.00 H new ATOM 0 HA ASP A 142 6.422 8.393 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 142 6.970 10.421 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 142 7.783 9.111 0.854 1.00 0.00 H new ATOM 1960 N ASP A 143 4.331 10.224 2.200 1.00 0.00 N ATOM 1961 CA ASP A 143 2.934 10.729 2.344 1.00 0.00 C ATOM 1962 C ASP A 143 2.004 9.951 1.413 1.00 0.00 C ATOM 1963 O ASP A 143 2.124 10.010 0.206 1.00 0.00 O ATOM 1964 CB ASP A 143 2.998 12.201 1.935 1.00 0.00 C ATOM 1965 CG ASP A 143 3.336 12.304 0.446 1.00 0.00 C ATOM 1966 OD1 ASP A 143 3.981 11.400 -0.058 1.00 0.00 O ATOM 1967 OD2 ASP A 143 2.943 13.285 -0.163 1.00 0.00 O ATOM 0 H ASP A 143 5.054 10.944 2.201 1.00 0.00 H new ATOM 0 HA ASP A 143 2.549 10.609 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 143 2.043 12.687 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 143 3.751 12.721 2.526 1.00 0.00 H new ATOM 1972 N VAL A 144 1.085 9.212 1.966 1.00 0.00 N ATOM 1973 CA VAL A 144 0.157 8.419 1.113 1.00 0.00 C ATOM 1974 C VAL A 144 -1.294 8.686 1.519 1.00 0.00 C ATOM 1975 O VAL A 144 -1.665 8.537 2.666 1.00 0.00 O ATOM 1976 CB VAL A 144 0.542 6.962 1.377 1.00 0.00 C ATOM 1977 CG1 VAL A 144 -0.528 6.034 0.808 1.00 0.00 C ATOM 1978 CG2 VAL A 144 1.882 6.661 0.702 1.00 0.00 C ATOM 0 H VAL A 144 0.936 9.122 2.971 1.00 0.00 H new ATOM 0 HA VAL A 144 0.234 8.675 0.056 1.00 0.00 H new ATOM 0 HB VAL A 144 0.626 6.801 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.249 4.998 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.485 6.246 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.615 6.195 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.158 5.623 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.793 6.825 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 144 2.650 7.320 1.108 1.00 0.00 H new ATOM 1988 N ALA A 145 -2.116 9.086 0.587 1.00 0.00 N ATOM 1989 CA ALA A 145 -3.541 9.370 0.923 1.00 0.00 C ATOM 1990 C ALA A 145 -4.473 8.797 -0.148 1.00 0.00 C ATOM 1991 O ALA A 145 -4.036 8.224 -1.127 1.00 0.00 O ATOM 1992 CB ALA A 145 -3.641 10.895 0.952 1.00 0.00 C ATOM 0 H ALA A 145 -1.863 9.228 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 145 -3.835 8.917 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -4.663 11.188 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -2.962 11.290 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -3.369 11.296 -0.024 1.00 0.00 H new ATOM 1998 N LEU A 146 -5.757 8.953 0.032 1.00 0.00 N ATOM 1999 CA LEU A 146 -6.727 8.425 -0.969 1.00 0.00 C ATOM 2000 C LEU A 146 -8.067 9.154 -0.833 1.00 0.00 C ATOM 2001 O LEU A 146 -8.708 9.105 0.198 1.00 0.00 O ATOM 2002 CB LEU A 146 -6.883 6.943 -0.627 1.00 0.00 C ATOM 2003 CG LEU A 146 -7.972 6.328 -1.508 1.00 0.00 C ATOM 2004 CD1 LEU A 146 -7.399 6.029 -2.894 1.00 0.00 C ATOM 2005 CD2 LEU A 146 -8.468 5.028 -0.870 1.00 0.00 C ATOM 0 H LEU A 146 -6.177 9.425 0.833 1.00 0.00 H new ATOM 0 HA LEU A 146 -6.387 8.570 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.938 6.422 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -7.143 6.827 0.425 1.00 0.00 H new ATOM 0 HG LEU A 146 -8.802 7.028 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -8.175 5.591 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -7.044 6.954 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.569 5.329 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -9.244 4.588 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -7.637 4.328 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -8.876 5.240 0.118 1.00 0.00 H new ATOM 2017 N ASP A 147 -8.493 9.833 -1.863 1.00 0.00 N ATOM 2018 CA ASP A 147 -9.790 10.568 -1.787 1.00 0.00 C ATOM 2019 C ASP A 147 -10.816 9.940 -2.734 1.00 0.00 C ATOM 2020 O ASP A 147 -10.494 9.535 -3.832 1.00 0.00 O ATOM 2021 CB ASP A 147 -9.461 11.996 -2.224 1.00 0.00 C ATOM 2022 CG ASP A 147 -8.316 12.541 -1.368 1.00 0.00 C ATOM 2023 OD1 ASP A 147 -8.421 12.464 -0.155 1.00 0.00 O ATOM 2024 OD2 ASP A 147 -7.354 13.025 -1.940 1.00 0.00 O ATOM 0 H ASP A 147 -8.001 9.911 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 147 -10.223 10.535 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -9.180 12.010 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -10.341 12.631 -2.120 1.00 0.00 H new ATOM 2029 N SER A 148 -12.051 9.860 -2.316 1.00 0.00 N ATOM 2030 CA SER A 148 -13.100 9.260 -3.191 1.00 0.00 C ATOM 2031 C SER A 148 -14.132 10.321 -3.584 1.00 0.00 C ATOM 2032 O SER A 148 -13.878 11.507 -3.505 1.00 0.00 O ATOM 2033 CB SER A 148 -13.750 8.171 -2.339 1.00 0.00 C ATOM 2034 OG SER A 148 -12.881 7.831 -1.267 1.00 0.00 O ATOM 0 H SER A 148 -12.379 10.184 -1.406 1.00 0.00 H new ATOM 0 HA SER A 148 -12.686 8.861 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 148 -14.706 8.520 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 148 -13.956 7.291 -2.948 1.00 0.00 H new ATOM 0 HG SER A 148 -12.166 7.248 -1.598 1.00 0.00 H new