USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 52 GLN : amide:sc= -4.41! C(o=-5.9!,f=-6.5!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.365 USER MOD Set 1.3: A 107 MET CE :methyl 146:sc= -1.09 (180deg=-2.51!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.192) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.47 F(o=-2.2,f=-0.47) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -135:sc= 2.04 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 150:sc= 0 (180deg=-0.518) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 45 SER OG : rot 123:sc= 0.536 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.85! C(o=-2.9!,f=-4.5!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.181 USER MOD Single : A 70 ASN : amide:sc= -2.22 X(o=-2.2,f=-1.9) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 52:sc= -0.251! USER MOD Single : A 89 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.2!) USER MOD Single : A 104 CYS SG : rot 21:sc= 0.0797 USER MOD Single : A 106 MET CE :methyl 179:sc= 0 (180deg=-0.00141) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 0.947 -18.911 -1.451 1.00 0.00 N ATOM 82 CA THR A 7 0.067 -17.947 -0.799 1.00 0.00 C ATOM 83 C THR A 7 -0.224 -16.767 -1.719 1.00 0.00 C ATOM 84 O THR A 7 -1.038 -15.902 -1.397 1.00 0.00 O ATOM 85 CB THR A 7 0.695 -17.450 0.509 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.307 -17.195 1.478 1.00 0.00 O ATOM 87 CG2 THR A 7 1.511 -16.183 0.350 1.00 0.00 C ATOM 0 HA THR A 7 -0.874 -18.448 -0.573 1.00 0.00 H new ATOM 0 HB THR A 7 1.364 -18.250 0.826 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.112 -16.880 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.924 -15.892 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.325 -16.360 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.873 -15.384 -0.027 1.00 0.00 H new ATOM 95 N CYS A 8 0.451 -16.734 -2.865 1.00 0.00 N ATOM 96 CA CYS A 8 0.266 -15.651 -3.823 1.00 0.00 C ATOM 97 C CYS A 8 -0.325 -16.162 -5.136 1.00 0.00 C ATOM 98 O CYS A 8 0.395 -16.375 -6.111 1.00 0.00 O ATOM 99 CB CYS A 8 1.596 -14.941 -4.082 1.00 0.00 C ATOM 100 SG CYS A 8 2.634 -14.744 -2.596 1.00 0.00 S ATOM 0 H CYS A 8 1.128 -17.442 -3.151 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.440 -14.941 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.155 -15.501 -4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.394 -13.957 -4.505 1.00 0.00 H new ATOM 105 N PRO A 9 -1.656 -16.364 -5.178 1.00 0.00 N ATOM 106 CA PRO A 9 -2.344 -16.850 -6.378 1.00 0.00 C ATOM 107 C PRO A 9 -2.476 -15.775 -7.454 1.00 0.00 C ATOM 108 O PRO A 9 -1.788 -15.818 -8.474 1.00 0.00 O ATOM 109 CB PRO A 9 -3.719 -17.262 -5.853 1.00 0.00 C ATOM 110 CG PRO A 9 -3.947 -16.397 -4.660 1.00 0.00 C ATOM 111 CD PRO A 9 -2.591 -16.139 -4.057 1.00 0.00 C ATOM 0 HA PRO A 9 -1.798 -17.660 -6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.492 -17.109 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.740 -18.318 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.430 -15.462 -4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.604 -16.889 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.513 -15.123 -3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.388 -16.814 -3.226 1.00 0.00 H new ATOM 119 N GLU A 10 -3.370 -14.816 -7.226 1.00 0.00 N ATOM 120 CA GLU A 10 -3.597 -13.737 -8.181 1.00 0.00 C ATOM 121 C GLU A 10 -3.301 -12.373 -7.558 1.00 0.00 C ATOM 122 O GLU A 10 -2.212 -11.826 -7.732 1.00 0.00 O ATOM 123 CB GLU A 10 -5.039 -13.779 -8.692 1.00 0.00 C ATOM 124 CG GLU A 10 -5.380 -12.647 -9.647 1.00 0.00 C ATOM 125 CD GLU A 10 -6.329 -13.078 -10.747 1.00 0.00 C ATOM 126 OE1 GLU A 10 -5.898 -13.840 -11.638 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.504 -12.656 -10.718 1.00 0.00 O ATOM 0 H GLU A 10 -3.949 -14.765 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.915 -13.881 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.210 -14.731 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.718 -13.742 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.828 -11.826 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.462 -12.264 -10.093 1.00 0.00 H new ATOM 134 N LYS A 11 -4.281 -11.831 -6.840 1.00 0.00 N ATOM 135 CA LYS A 11 -4.135 -10.529 -6.191 1.00 0.00 C ATOM 136 C LYS A 11 -2.817 -10.442 -5.428 1.00 0.00 C ATOM 137 O LYS A 11 -2.142 -9.416 -5.448 1.00 0.00 O ATOM 138 CB LYS A 11 -5.308 -10.272 -5.240 1.00 0.00 C ATOM 139 CG LYS A 11 -5.812 -11.524 -4.542 1.00 0.00 C ATOM 140 CD LYS A 11 -6.922 -11.203 -3.554 1.00 0.00 C ATOM 141 CE LYS A 11 -7.184 -12.369 -2.613 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.235 -12.046 -1.610 1.00 0.00 N ATOM 0 H LYS A 11 -5.188 -12.274 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.133 -9.765 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.002 -9.545 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.128 -9.824 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.178 -12.233 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.987 -12.007 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.651 -10.320 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.835 -10.960 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.490 -13.241 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.261 -12.635 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.199 -12.738 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.072 -11.091 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.170 -12.083 -2.063 1.00 0.00 H new ATOM 156 N TRP A 12 -2.458 -11.530 -4.764 1.00 0.00 N ATOM 157 CA TRP A 12 -1.221 -11.593 -4.000 1.00 0.00 C ATOM 158 C TRP A 12 -0.016 -11.606 -4.935 1.00 0.00 C ATOM 159 O TRP A 12 -0.061 -12.205 -6.011 1.00 0.00 O ATOM 160 CB TRP A 12 -1.200 -12.842 -3.120 1.00 0.00 C ATOM 161 CG TRP A 12 -2.177 -12.805 -1.985 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.529 -12.631 -2.068 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.876 -12.957 -0.593 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.086 -12.662 -0.812 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.090 -12.862 0.110 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.696 -13.164 0.126 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.159 -12.966 1.497 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.764 -13.268 1.503 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.989 -13.170 2.176 1.00 0.00 C ATOM 0 H TRP A 12 -3.010 -12.387 -4.739 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.169 -10.709 -3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.411 -13.714 -3.739 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.196 -12.973 -2.717 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.080 -12.490 -2.986 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.078 -12.554 -0.600 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.252 -13.241 -0.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.102 -12.888 2.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.142 -13.427 2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.010 -13.257 3.252 1.00 0.00 H new ATOM 180 N ILE A 13 1.060 -10.946 -4.522 1.00 0.00 N ATOM 181 CA ILE A 13 2.276 -10.886 -5.326 1.00 0.00 C ATOM 182 C ILE A 13 3.521 -11.102 -4.469 1.00 0.00 C ATOM 183 O ILE A 13 3.728 -10.408 -3.478 1.00 0.00 O ATOM 184 CB ILE A 13 2.408 -9.535 -6.056 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.080 -8.760 -6.021 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.868 -9.759 -7.485 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.167 -9.030 -7.203 1.00 0.00 C ATOM 0 H ILE A 13 1.116 -10.445 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 13 2.198 -11.686 -6.062 1.00 0.00 H new ATOM 0 HB ILE A 13 3.156 -8.933 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.550 -9.012 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.297 -7.693 -5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.958 -8.799 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.836 -10.260 -7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.140 -10.379 -8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.746 -8.444 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.675 -8.750 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.084 -10.090 -7.234 1.00 0.00 H new ATOM 199 N ASN A 14 4.352 -12.066 -4.863 1.00 0.00 N ATOM 200 CA ASN A 14 5.578 -12.375 -4.130 1.00 0.00 C ATOM 201 C ASN A 14 6.813 -11.896 -4.888 1.00 0.00 C ATOM 202 O ASN A 14 6.802 -11.800 -6.116 1.00 0.00 O ATOM 203 CB ASN A 14 5.679 -13.876 -3.863 1.00 0.00 C ATOM 204 CG ASN A 14 7.014 -14.272 -3.263 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.210 -13.951 -1.990 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 7.860 -14.862 -3.936 1.00 0.00 N flip ATOM 0 H ASN A 14 4.198 -12.647 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 14 5.536 -11.846 -3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.878 -14.176 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.529 -14.418 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.668 -15.089 -4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.753 -15.123 -3.518 1.00 0.00 H new ATOM 213 N PHE A 15 7.872 -11.589 -4.145 1.00 0.00 N ATOM 214 CA PHE A 15 9.115 -11.110 -4.741 1.00 0.00 C ATOM 215 C PHE A 15 10.317 -11.884 -4.201 1.00 0.00 C ATOM 216 O PHE A 15 10.318 -13.116 -4.204 1.00 0.00 O ATOM 217 CB PHE A 15 9.282 -9.612 -4.472 1.00 0.00 C ATOM 218 CG PHE A 15 8.002 -8.836 -4.579 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.582 -8.329 -5.798 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.218 -8.617 -3.459 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.402 -7.617 -5.898 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.038 -7.906 -3.552 1.00 0.00 C ATOM 223 CZ PHE A 15 5.629 -7.405 -4.773 1.00 0.00 C ATOM 0 H PHE A 15 7.894 -11.663 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 15 9.065 -11.275 -5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.698 -9.475 -3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.005 -9.203 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.184 -8.492 -6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.533 -9.007 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.085 -7.227 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.435 -7.742 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.706 -6.849 -4.848 1.00 0.00 H new ATOM 233 N GLN A 16 11.338 -11.158 -3.745 1.00 0.00 N ATOM 234 CA GLN A 16 12.543 -11.779 -3.207 1.00 0.00 C ATOM 235 C GLN A 16 12.195 -12.853 -2.182 1.00 0.00 C ATOM 236 O GLN A 16 12.757 -13.948 -2.204 1.00 0.00 O ATOM 237 CB GLN A 16 13.445 -10.722 -2.568 1.00 0.00 C ATOM 238 CG GLN A 16 12.697 -9.736 -1.685 1.00 0.00 C ATOM 239 CD GLN A 16 13.532 -8.521 -1.330 1.00 0.00 C ATOM 240 OE1 GLN A 16 14.560 -8.634 -0.662 1.00 0.00 O ATOM 241 NE2 GLN A 16 13.093 -7.350 -1.776 1.00 0.00 N ATOM 0 H GLN A 16 11.352 -10.138 -3.739 1.00 0.00 H new ATOM 0 HA GLN A 16 13.075 -12.251 -4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.210 -11.221 -1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.961 -10.173 -3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.790 -9.412 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.385 -10.238 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.236 -7.303 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.613 -6.498 -1.568 1.00 0.00 H new ATOM 250 N ARG A 17 11.264 -12.535 -1.286 1.00 0.00 N ATOM 251 CA ARG A 17 10.847 -13.482 -0.259 1.00 0.00 C ATOM 252 C ARG A 17 9.559 -13.034 0.422 1.00 0.00 C ATOM 253 O ARG A 17 9.034 -13.730 1.291 1.00 0.00 O ATOM 254 CB ARG A 17 11.953 -13.661 0.782 1.00 0.00 C ATOM 255 CG ARG A 17 12.302 -15.115 1.054 1.00 0.00 C ATOM 256 CD ARG A 17 11.662 -15.611 2.339 1.00 0.00 C ATOM 257 NE ARG A 17 12.648 -15.823 3.397 1.00 0.00 N ATOM 258 CZ ARG A 17 13.075 -17.023 3.779 1.00 0.00 C ATOM 259 NH1 ARG A 17 12.603 -18.115 3.194 1.00 0.00 N ATOM 260 NH2 ARG A 17 13.973 -17.131 4.748 1.00 0.00 N ATOM 0 H ARG A 17 10.787 -11.634 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 17 10.657 -14.437 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.848 -13.138 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.643 -13.190 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.970 -15.732 0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.385 -15.224 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.919 -14.888 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.134 -16.544 2.144 1.00 0.00 H new ATOM 0 HE ARG A 17 13.030 -15.004 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.911 -18.036 2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.932 -19.034 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.337 -16.293 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.300 -18.052 5.040 1.00 0.00 H new ATOM 274 N LYS A 18 9.046 -11.876 0.021 1.00 0.00 N ATOM 275 CA LYS A 18 7.819 -11.354 0.592 1.00 0.00 C ATOM 276 C LYS A 18 6.713 -11.325 -0.439 1.00 0.00 C ATOM 277 O LYS A 18 6.957 -11.308 -1.640 1.00 0.00 O ATOM 278 CB LYS A 18 8.013 -9.949 1.148 1.00 0.00 C ATOM 279 CG LYS A 18 8.272 -8.908 0.077 1.00 0.00 C ATOM 280 CD LYS A 18 9.619 -8.239 0.273 1.00 0.00 C ATOM 281 CE LYS A 18 9.465 -6.828 0.817 1.00 0.00 C ATOM 282 NZ LYS A 18 10.762 -6.272 1.294 1.00 0.00 N ATOM 0 H LYS A 18 9.464 -11.284 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 18 7.541 -12.022 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.126 -9.664 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.849 -9.955 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.236 -9.378 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.483 -8.156 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.224 -8.831 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.153 -8.208 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.057 -6.182 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.748 -6.832 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.614 -5.309 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.140 -6.874 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.439 -6.244 0.505 1.00 0.00 H new ATOM 296 N CYS A 19 5.497 -11.302 0.055 1.00 0.00 N ATOM 297 CA CYS A 19 4.323 -11.260 -0.794 1.00 0.00 C ATOM 298 C CYS A 19 3.457 -10.067 -0.423 1.00 0.00 C ATOM 299 O CYS A 19 3.648 -9.451 0.624 1.00 0.00 O ATOM 300 CB CYS A 19 3.524 -12.561 -0.681 1.00 0.00 C ATOM 301 SG CYS A 19 2.319 -12.820 -2.024 1.00 0.00 S ATOM 0 H CYS A 19 5.291 -11.312 1.054 1.00 0.00 H new ATOM 0 HA CYS A 19 4.646 -11.152 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.219 -13.400 -0.665 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.995 -12.567 0.272 1.00 0.00 H new ATOM 306 N TYR A 20 2.509 -9.744 -1.286 1.00 0.00 N ATOM 307 CA TYR A 20 1.614 -8.621 -1.055 1.00 0.00 C ATOM 308 C TYR A 20 0.172 -9.086 -1.106 1.00 0.00 C ATOM 309 O TYR A 20 -0.234 -9.771 -2.040 1.00 0.00 O ATOM 310 CB TYR A 20 1.815 -7.534 -2.120 1.00 0.00 C ATOM 311 CG TYR A 20 2.982 -6.599 -1.884 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.002 -6.910 -0.992 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.056 -5.392 -2.567 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.060 -6.043 -0.789 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.109 -4.521 -2.370 1.00 0.00 C ATOM 316 CZ TYR A 20 5.108 -4.850 -1.480 1.00 0.00 C ATOM 317 OH TYR A 20 6.160 -3.986 -1.280 1.00 0.00 O ATOM 0 H TYR A 20 2.338 -10.246 -2.157 1.00 0.00 H new ATOM 0 HA TYR A 20 1.841 -8.210 -0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.949 -8.018 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.903 -6.940 -2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.968 -7.843 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.275 -5.130 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.845 -6.299 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.149 -3.587 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 20 6.043 -3.193 -1.843 1.00 0.00 H new ATOM 327 N TYR A 21 -0.603 -8.695 -0.112 1.00 0.00 N ATOM 328 CA TYR A 21 -2.004 -9.057 -0.061 1.00 0.00 C ATOM 329 C TYR A 21 -2.828 -7.897 -0.601 1.00 0.00 C ATOM 330 O TYR A 21 -2.922 -6.838 0.018 1.00 0.00 O ATOM 331 CB TYR A 21 -2.400 -9.389 1.381 1.00 0.00 C ATOM 332 CG TYR A 21 -3.891 -9.460 1.626 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.756 -9.981 0.673 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.429 -9.008 2.822 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.115 -10.049 0.904 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.785 -9.073 3.065 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.627 -9.594 2.101 1.00 0.00 C ATOM 338 OH TYR A 21 -7.980 -9.661 2.337 1.00 0.00 O ATOM 0 H TYR A 21 -0.284 -8.126 0.672 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.190 -9.940 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.954 -10.345 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.972 -8.637 2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.359 -10.339 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.774 -8.598 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.774 -10.456 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.186 -8.719 4.003 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.287 -8.814 2.724 1.00 0.00 H new ATOM 348 N PHE A 22 -3.396 -8.104 -1.779 1.00 0.00 N ATOM 349 CA PHE A 22 -4.186 -7.086 -2.447 1.00 0.00 C ATOM 350 C PHE A 22 -5.676 -7.291 -2.182 1.00 0.00 C ATOM 351 O PHE A 22 -6.233 -8.342 -2.499 1.00 0.00 O ATOM 352 CB PHE A 22 -3.885 -7.141 -3.951 1.00 0.00 C ATOM 353 CG PHE A 22 -2.533 -6.579 -4.334 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.644 -6.134 -3.366 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.150 -6.503 -5.667 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.407 -5.626 -3.717 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.911 -5.996 -6.023 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.038 -5.557 -5.044 1.00 0.00 C ATOM 0 H PHE A 22 -3.322 -8.980 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.921 -6.103 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.943 -8.177 -4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.659 -6.591 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.922 -6.185 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.827 -6.844 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.272 -5.282 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.627 -5.944 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.929 -5.162 -5.318 1.00 0.00 H new ATOM 368 N GLY A 23 -6.313 -6.284 -1.588 1.00 0.00 N ATOM 369 CA GLY A 23 -7.727 -6.379 -1.278 1.00 0.00 C ATOM 370 C GLY A 23 -8.532 -5.214 -1.814 1.00 0.00 C ATOM 371 O GLY A 23 -7.974 -4.246 -2.331 1.00 0.00 O ATOM 0 H GLY A 23 -5.873 -5.405 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.122 -7.307 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.853 -6.433 -0.197 1.00 0.00 H new ATOM 375 N LYS A 24 -9.852 -5.311 -1.684 1.00 0.00 N ATOM 376 CA LYS A 24 -10.753 -4.266 -2.152 1.00 0.00 C ATOM 377 C LYS A 24 -11.884 -4.037 -1.155 1.00 0.00 C ATOM 378 O LYS A 24 -12.262 -4.940 -0.408 1.00 0.00 O ATOM 379 CB LYS A 24 -11.325 -4.630 -3.524 1.00 0.00 C ATOM 380 CG LYS A 24 -12.401 -3.675 -4.016 1.00 0.00 C ATOM 381 CD LYS A 24 -13.049 -4.177 -5.296 1.00 0.00 C ATOM 382 CE LYS A 24 -14.316 -4.963 -5.006 1.00 0.00 C ATOM 383 NZ LYS A 24 -14.495 -6.098 -5.954 1.00 0.00 N ATOM 0 H LYS A 24 -10.322 -6.108 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.182 -3.342 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.513 -4.653 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.740 -5.637 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.162 -3.554 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.964 -2.692 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.284 -3.331 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.345 -4.807 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.281 -5.344 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.178 -4.298 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.371 -6.609 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.554 -5.733 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.685 -6.746 -5.877 1.00 0.00 H new ATOM 440 N GLN A 28 -10.580 4.209 4.948 1.00 0.00 N ATOM 441 CA GLN A 28 -9.492 5.141 4.672 1.00 0.00 C ATOM 442 C GLN A 28 -8.134 4.477 4.880 1.00 0.00 C ATOM 443 O GLN A 28 -8.047 3.261 5.051 1.00 0.00 O ATOM 444 CB GLN A 28 -9.613 6.375 5.569 1.00 0.00 C ATOM 445 CG GLN A 28 -10.929 7.119 5.404 1.00 0.00 C ATOM 446 CD GLN A 28 -10.758 8.625 5.467 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.545 9.192 6.538 1.00 0.00 O ATOM 448 NE2 GLN A 28 -10.852 9.280 4.316 1.00 0.00 N ATOM 0 HA GLN A 28 -9.567 5.447 3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.506 6.070 6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.790 7.056 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.379 6.847 4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.622 6.802 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.030 8.769 3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.747 10.294 4.296 1.00 0.00 H new ATOM 457 N TRP A 29 -7.075 5.284 4.863 1.00 0.00 N ATOM 458 CA TRP A 29 -5.720 4.775 5.049 1.00 0.00 C ATOM 459 C TRP A 29 -5.574 4.101 6.405 1.00 0.00 C ATOM 460 O TRP A 29 -5.074 2.979 6.503 1.00 0.00 O ATOM 461 CB TRP A 29 -4.699 5.908 4.916 1.00 0.00 C ATOM 462 CG TRP A 29 -3.295 5.478 5.219 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.392 4.950 4.342 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.635 5.537 6.489 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.212 4.675 4.989 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.335 5.027 6.307 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.015 5.971 7.762 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.416 4.940 7.348 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.102 5.884 8.796 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.816 5.373 8.584 1.00 0.00 C ATOM 0 H TRP A 29 -7.130 6.293 4.722 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.530 4.034 4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.739 6.307 3.902 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.977 6.719 5.589 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.578 4.774 3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.379 4.274 4.558 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.005 6.367 7.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.576 4.545 7.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.385 6.216 9.784 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.125 5.319 9.412 1.00 0.00 H new ATOM 481 N VAL A 30 -6.015 4.790 7.449 1.00 0.00 N ATOM 482 CA VAL A 30 -5.939 4.260 8.803 1.00 0.00 C ATOM 483 C VAL A 30 -6.623 2.903 8.889 1.00 0.00 C ATOM 484 O VAL A 30 -6.228 2.045 9.677 1.00 0.00 O ATOM 485 CB VAL A 30 -6.581 5.217 9.825 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.690 6.425 10.058 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.964 5.647 9.358 1.00 0.00 C ATOM 0 H VAL A 30 -6.430 5.719 7.383 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.882 4.152 9.045 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.691 4.688 10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.160 7.090 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.724 6.096 10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.546 6.957 9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.402 6.323 10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.882 6.158 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.600 4.769 9.248 1.00 0.00 H new ATOM 497 N HIS A 31 -7.649 2.716 8.070 1.00 0.00 N ATOM 498 CA HIS A 31 -8.382 1.460 8.052 1.00 0.00 C ATOM 499 C HIS A 31 -7.548 0.363 7.404 1.00 0.00 C ATOM 500 O HIS A 31 -7.652 -0.806 7.773 1.00 0.00 O ATOM 501 CB HIS A 31 -9.707 1.625 7.307 1.00 0.00 C ATOM 502 CG HIS A 31 -10.875 1.025 8.027 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.446 1.599 9.144 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.581 -0.104 7.784 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.452 0.849 9.557 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.555 -0.190 8.749 1.00 0.00 N ATOM 0 H HIS A 31 -7.991 3.416 7.412 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.594 1.173 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.895 2.687 7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.621 1.165 6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.410 -0.806 6.981 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.083 1.051 10.410 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.246 -0.936 8.828 1.00 0.00 H new ATOM 515 N ALA A 32 -6.716 0.745 6.438 1.00 0.00 N ATOM 516 CA ALA A 32 -5.868 -0.218 5.752 1.00 0.00 C ATOM 517 C ALA A 32 -4.764 -0.714 6.671 1.00 0.00 C ATOM 518 O ALA A 32 -4.550 -1.917 6.803 1.00 0.00 O ATOM 519 CB ALA A 32 -5.272 0.401 4.496 1.00 0.00 C ATOM 0 H ALA A 32 -6.613 1.708 6.117 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.483 -1.071 5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.640 -0.332 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.075 0.708 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.674 1.271 4.768 1.00 0.00 H new ATOM 525 N ARG A 33 -4.074 0.217 7.320 1.00 0.00 N ATOM 526 CA ARG A 33 -3.001 -0.133 8.238 1.00 0.00 C ATOM 527 C ARG A 33 -3.523 -1.003 9.375 1.00 0.00 C ATOM 528 O ARG A 33 -2.854 -1.942 9.808 1.00 0.00 O ATOM 529 CB ARG A 33 -2.335 1.124 8.802 1.00 0.00 C ATOM 530 CG ARG A 33 -3.315 2.121 9.396 1.00 0.00 C ATOM 531 CD ARG A 33 -2.799 2.697 10.705 1.00 0.00 C ATOM 532 NE ARG A 33 -2.853 1.720 11.790 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.924 1.616 12.735 1.00 0.00 C ATOM 534 NH1 ARG A 33 -0.874 2.425 12.731 1.00 0.00 N ATOM 535 NH2 ARG A 33 -2.045 0.701 13.687 1.00 0.00 N ATOM 0 H ARG A 33 -4.240 1.219 7.226 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.256 -0.700 7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.618 0.831 9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.770 1.612 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.489 2.929 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.275 1.633 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.771 3.036 10.572 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.391 3.572 10.975 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.648 1.082 11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.777 3.131 12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.163 2.342 13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.851 0.076 13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.332 0.622 14.412 1.00 0.00 H new ATOM 549 N TYR A 34 -4.721 -0.686 9.854 1.00 0.00 N ATOM 550 CA TYR A 34 -5.331 -1.442 10.939 1.00 0.00 C ATOM 551 C TYR A 34 -5.796 -2.811 10.455 1.00 0.00 C ATOM 552 O TYR A 34 -5.816 -3.777 11.219 1.00 0.00 O ATOM 553 CB TYR A 34 -6.511 -0.668 11.529 1.00 0.00 C ATOM 554 CG TYR A 34 -6.702 -0.895 13.012 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.468 -1.956 13.478 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.117 -0.048 13.945 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.645 -2.166 14.833 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.288 -0.253 15.301 1.00 0.00 C ATOM 559 CZ TYR A 34 -7.053 -1.312 15.740 1.00 0.00 C ATOM 560 OH TYR A 34 -7.227 -1.519 17.089 1.00 0.00 O ATOM 0 H TYR A 34 -5.287 0.088 9.508 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.578 -1.588 11.714 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.363 0.397 11.349 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.422 -0.956 11.005 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.932 -2.627 12.771 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.519 0.784 13.605 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.244 -2.995 15.180 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.824 0.413 16.013 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.743 -0.830 17.591 1.00 0.00 H new ATOM 570 N ALA A 35 -6.173 -2.887 9.183 1.00 0.00 N ATOM 571 CA ALA A 35 -6.642 -4.137 8.601 1.00 0.00 C ATOM 572 C ALA A 35 -5.498 -5.123 8.411 1.00 0.00 C ATOM 573 O ALA A 35 -5.651 -6.320 8.659 1.00 0.00 O ATOM 574 CB ALA A 35 -7.344 -3.875 7.278 1.00 0.00 C ATOM 0 H ALA A 35 -6.163 -2.098 8.537 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.355 -4.583 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.689 -4.819 6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.198 -3.218 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.649 -3.400 6.585 1.00 0.00 H new ATOM 580 N CYS A 36 -4.352 -4.616 7.977 1.00 0.00 N ATOM 581 CA CYS A 36 -3.184 -5.457 7.764 1.00 0.00 C ATOM 582 C CYS A 36 -2.546 -5.819 9.098 1.00 0.00 C ATOM 583 O CYS A 36 -1.909 -6.865 9.233 1.00 0.00 O ATOM 584 CB CYS A 36 -2.164 -4.747 6.870 1.00 0.00 C ATOM 585 SG CYS A 36 -2.905 -3.743 5.543 1.00 0.00 S ATOM 0 H CYS A 36 -4.207 -3.629 7.766 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.505 -6.371 7.265 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.539 -4.105 7.490 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.508 -5.494 6.422 1.00 0.00 H new ATOM 590 N ASP A 37 -2.726 -4.945 10.082 1.00 0.00 N ATOM 591 CA ASP A 37 -2.176 -5.162 11.414 1.00 0.00 C ATOM 592 C ASP A 37 -2.977 -6.217 12.170 1.00 0.00 C ATOM 593 O ASP A 37 -2.468 -6.855 13.092 1.00 0.00 O ATOM 594 CB ASP A 37 -2.162 -3.853 12.203 1.00 0.00 C ATOM 595 CG ASP A 37 -0.989 -3.768 13.161 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.819 -4.699 13.975 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.241 -2.770 13.097 1.00 0.00 O ATOM 0 H ASP A 37 -3.251 -4.076 9.981 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.153 -5.521 11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.122 -3.014 11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.092 -3.759 12.763 1.00 0.00 H new ATOM 602 N ASP A 38 -4.236 -6.386 11.781 1.00 0.00 N ATOM 603 CA ASP A 38 -5.117 -7.353 12.427 1.00 0.00 C ATOM 604 C ASP A 38 -4.545 -8.765 12.353 1.00 0.00 C ATOM 605 O ASP A 38 -4.639 -9.530 13.314 1.00 0.00 O ATOM 606 CB ASP A 38 -6.503 -7.321 11.782 1.00 0.00 C ATOM 607 CG ASP A 38 -7.565 -6.778 12.720 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.378 -5.660 13.245 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.583 -7.471 12.928 1.00 0.00 O ATOM 0 H ASP A 38 -4.671 -5.865 11.020 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.200 -7.075 13.478 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.468 -6.706 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.779 -8.328 11.469 1.00 0.00 H new ATOM 614 N MET A 39 -3.954 -9.105 11.210 1.00 0.00 N ATOM 615 CA MET A 39 -3.369 -10.431 11.017 1.00 0.00 C ATOM 616 C MET A 39 -2.744 -10.570 9.631 1.00 0.00 C ATOM 617 O MET A 39 -1.823 -11.364 9.439 1.00 0.00 O ATOM 618 CB MET A 39 -4.431 -11.516 11.211 1.00 0.00 C ATOM 619 CG MET A 39 -5.663 -11.323 10.341 1.00 0.00 C ATOM 620 SD MET A 39 -6.294 -12.877 9.679 1.00 0.00 S ATOM 621 CE MET A 39 -7.938 -12.384 9.167 1.00 0.00 C ATOM 0 H MET A 39 -3.867 -8.484 10.406 1.00 0.00 H new ATOM 0 HA MET A 39 -2.583 -10.554 11.762 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.990 -12.488 10.991 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.734 -11.533 12.258 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.444 -10.838 10.926 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.420 -10.653 9.516 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.250 -12.988 8.315 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.635 -12.532 9.992 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.930 -11.332 8.882 1.00 0.00 H new ATOM 631 N GLU A 40 -3.257 -9.805 8.669 1.00 0.00 N ATOM 632 CA GLU A 40 -2.755 -9.852 7.298 1.00 0.00 C ATOM 633 C GLU A 40 -1.229 -9.794 7.259 1.00 0.00 C ATOM 634 O GLU A 40 -0.563 -10.830 7.253 1.00 0.00 O ATOM 635 CB GLU A 40 -3.352 -8.707 6.475 1.00 0.00 C ATOM 636 CG GLU A 40 -4.873 -8.695 6.458 1.00 0.00 C ATOM 637 CD GLU A 40 -5.470 -10.080 6.295 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.978 -10.842 5.436 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.430 -10.402 7.026 1.00 0.00 O ATOM 0 H GLU A 40 -4.021 -9.145 8.814 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.063 -10.802 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.994 -7.758 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.986 -8.779 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.239 -8.254 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.218 -8.058 5.644 1.00 0.00 H new ATOM 646 N GLY A 41 -0.675 -8.585 7.228 1.00 0.00 N ATOM 647 CA GLY A 41 0.772 -8.442 7.188 1.00 0.00 C ATOM 648 C GLY A 41 1.261 -7.108 7.717 1.00 0.00 C ATOM 649 O GLY A 41 1.459 -6.937 8.920 1.00 0.00 O ATOM 0 H GLY A 41 -1.196 -7.708 7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.225 -9.244 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.113 -8.564 6.160 1.00 0.00 H new ATOM 653 N GLN A 42 1.482 -6.174 6.804 1.00 0.00 N ATOM 654 CA GLN A 42 1.981 -4.851 7.135 1.00 0.00 C ATOM 655 C GLN A 42 1.538 -3.891 6.059 1.00 0.00 C ATOM 656 O GLN A 42 1.179 -4.322 4.969 1.00 0.00 O ATOM 657 CB GLN A 42 3.509 -4.861 7.210 1.00 0.00 C ATOM 658 CG GLN A 42 4.127 -3.472 7.253 1.00 0.00 C ATOM 659 CD GLN A 42 5.640 -3.502 7.174 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.300 -4.229 7.918 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.199 -2.708 6.269 1.00 0.00 N ATOM 0 H GLN A 42 1.319 -6.315 5.807 1.00 0.00 H new ATOM 0 HA GLN A 42 1.588 -4.545 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.817 -5.414 8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.903 -5.398 6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.736 -2.879 6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.825 -2.973 8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.614 -2.122 5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.214 -2.684 6.169 1.00 0.00 H new ATOM 670 N LEU A 43 1.565 -2.599 6.317 1.00 0.00 N ATOM 671 CA LEU A 43 1.164 -1.699 5.276 1.00 0.00 C ATOM 672 C LEU A 43 2.299 -1.670 4.265 1.00 0.00 C ATOM 673 O LEU A 43 3.414 -1.234 4.554 1.00 0.00 O ATOM 674 CB LEU A 43 0.890 -0.305 5.845 1.00 0.00 C ATOM 675 CG LEU A 43 -0.286 0.453 5.221 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.552 -0.384 5.254 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.504 1.772 5.943 1.00 0.00 C ATOM 0 H LEU A 43 1.848 -2.171 7.199 1.00 0.00 H new ATOM 0 HA LEU A 43 0.239 -2.029 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.709 -0.400 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.790 0.298 5.726 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.044 0.658 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.371 0.178 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.394 -1.305 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.801 -0.626 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.343 2.301 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.721 1.580 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.395 2.383 5.864 1.00 0.00 H new ATOM 689 N VAL A 44 1.982 -2.204 3.094 1.00 0.00 N ATOM 690 CA VAL A 44 2.910 -2.349 1.978 1.00 0.00 C ATOM 691 C VAL A 44 4.078 -1.377 2.011 1.00 0.00 C ATOM 692 O VAL A 44 5.222 -1.776 2.233 1.00 0.00 O ATOM 693 CB VAL A 44 2.167 -2.209 0.644 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.908 -3.578 0.048 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.863 -1.454 0.843 1.00 0.00 C ATOM 0 H VAL A 44 1.048 -2.558 2.887 1.00 0.00 H new ATOM 0 HA VAL A 44 3.334 -3.348 2.078 1.00 0.00 H new ATOM 0 HB VAL A 44 2.788 -1.641 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.380 -3.468 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.857 -4.086 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.300 -4.165 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.346 -1.362 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.232 -1.997 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.075 -0.460 1.238 1.00 0.00 H new ATOM 705 N SER A 45 3.788 -0.116 1.759 1.00 0.00 N ATOM 706 CA SER A 45 4.821 0.914 1.727 1.00 0.00 C ATOM 707 C SER A 45 5.769 0.648 0.564 1.00 0.00 C ATOM 708 O SER A 45 6.991 0.679 0.715 1.00 0.00 O ATOM 709 CB SER A 45 5.598 0.943 3.043 1.00 0.00 C ATOM 710 OG SER A 45 6.576 1.966 3.036 1.00 0.00 O ATOM 0 H SER A 45 2.845 0.226 1.572 1.00 0.00 H new ATOM 0 HA SER A 45 4.345 1.885 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.909 1.101 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.078 -0.022 3.207 1.00 0.00 H new ATOM 0 HG SER A 45 6.427 2.567 3.796 1.00 0.00 H new ATOM 716 N ILE A 46 5.176 0.367 -0.592 1.00 0.00 N ATOM 717 CA ILE A 46 5.921 0.065 -1.812 1.00 0.00 C ATOM 718 C ILE A 46 7.158 0.947 -1.955 1.00 0.00 C ATOM 719 O ILE A 46 7.113 2.149 -1.697 1.00 0.00 O ATOM 720 CB ILE A 46 5.043 0.222 -3.076 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.722 0.931 -2.745 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.782 -1.137 -3.712 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.659 0.021 -2.160 1.00 0.00 C ATOM 0 H ILE A 46 4.163 0.342 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 46 6.234 -0.975 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 46 5.583 0.841 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.922 1.738 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.332 1.391 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.163 -1.010 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.730 -1.595 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.266 -1.779 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.758 0.599 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.427 -0.772 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.027 -0.419 -1.233 1.00 0.00 H new ATOM 735 N HIS A 47 8.262 0.332 -2.368 1.00 0.00 N ATOM 736 CA HIS A 47 9.520 1.047 -2.549 1.00 0.00 C ATOM 737 C HIS A 47 10.139 0.719 -3.902 1.00 0.00 C ATOM 738 O HIS A 47 11.218 1.210 -4.238 1.00 0.00 O ATOM 739 CB HIS A 47 10.499 0.691 -1.430 1.00 0.00 C ATOM 740 CG HIS A 47 10.449 -0.750 -1.024 1.00 0.00 C ATOM 741 ND1 HIS A 47 9.711 -1.206 0.047 1.00 0.00 N ATOM 742 CD2 HIS A 47 11.052 -1.841 -1.555 1.00 0.00 C ATOM 743 CE1 HIS A 47 9.863 -2.513 0.159 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.670 -2.923 -0.802 1.00 0.00 N ATOM 0 H HIS A 47 8.310 -0.664 -2.584 1.00 0.00 H new ATOM 0 HA HIS A 47 9.310 2.116 -2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.511 0.933 -1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.285 1.312 -0.560 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.710 -1.856 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.405 -3.140 0.909 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.962 -3.887 -0.959 1.00 0.00 H new ATOM 753 N SER A 48 9.450 -0.111 -4.681 1.00 0.00 N ATOM 754 CA SER A 48 9.931 -0.498 -5.996 1.00 0.00 C ATOM 755 C SER A 48 8.934 -0.078 -7.065 1.00 0.00 C ATOM 756 O SER A 48 7.771 -0.475 -7.021 1.00 0.00 O ATOM 757 CB SER A 48 10.161 -2.009 -6.058 1.00 0.00 C ATOM 758 OG SER A 48 11.498 -2.335 -5.720 1.00 0.00 O ATOM 0 H SER A 48 8.556 -0.527 -4.420 1.00 0.00 H new ATOM 0 HA SER A 48 10.879 0.007 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.477 -2.513 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.937 -2.373 -7.060 1.00 0.00 H new ATOM 0 HG SER A 48 11.619 -3.306 -5.765 1.00 0.00 H new ATOM 764 N PRO A 49 9.373 0.734 -8.041 1.00 0.00 N ATOM 765 CA PRO A 49 8.504 1.199 -9.119 1.00 0.00 C ATOM 766 C PRO A 49 7.673 0.063 -9.702 1.00 0.00 C ATOM 767 O PRO A 49 6.559 0.274 -10.175 1.00 0.00 O ATOM 768 CB PRO A 49 9.492 1.742 -10.151 1.00 0.00 C ATOM 769 CG PRO A 49 10.654 2.204 -9.340 1.00 0.00 C ATOM 770 CD PRO A 49 10.748 1.258 -8.172 1.00 0.00 C ATOM 0 HA PRO A 49 7.777 1.939 -8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.786 0.972 -10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.058 2.560 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.571 2.189 -9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.510 3.230 -9.001 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.466 0.459 -8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.070 1.770 -7.266 1.00 0.00 H new ATOM 778 N GLU A 50 8.225 -1.146 -9.646 1.00 0.00 N ATOM 779 CA GLU A 50 7.536 -2.325 -10.151 1.00 0.00 C ATOM 780 C GLU A 50 6.404 -2.730 -9.223 1.00 0.00 C ATOM 781 O GLU A 50 5.299 -3.029 -9.669 1.00 0.00 O ATOM 782 CB GLU A 50 8.510 -3.491 -10.306 1.00 0.00 C ATOM 783 CG GLU A 50 7.834 -4.792 -10.693 1.00 0.00 C ATOM 784 CD GLU A 50 8.707 -6.003 -10.431 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.766 -6.124 -11.081 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.331 -6.832 -9.575 1.00 0.00 O ATOM 0 H GLU A 50 9.148 -1.333 -9.255 1.00 0.00 H new ATOM 0 HA GLU A 50 7.119 -2.074 -11.126 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.252 -3.237 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.047 -3.634 -9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.903 -4.893 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.571 -4.760 -11.750 1.00 0.00 H new ATOM 793 N GLU A 51 6.693 -2.750 -7.927 1.00 0.00 N ATOM 794 CA GLU A 51 5.702 -3.132 -6.934 1.00 0.00 C ATOM 795 C GLU A 51 4.559 -2.126 -6.901 1.00 0.00 C ATOM 796 O GLU A 51 3.389 -2.504 -6.845 1.00 0.00 O ATOM 797 CB GLU A 51 6.352 -3.254 -5.556 1.00 0.00 C ATOM 798 CG GLU A 51 7.500 -4.249 -5.511 1.00 0.00 C ATOM 799 CD GLU A 51 8.113 -4.369 -4.128 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.511 -3.329 -3.563 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.195 -5.504 -3.612 1.00 0.00 O ATOM 0 H GLU A 51 7.605 -2.506 -7.542 1.00 0.00 H new ATOM 0 HA GLU A 51 5.292 -4.103 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.719 -2.275 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.595 -3.553 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.141 -5.227 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.269 -3.943 -6.220 1.00 0.00 H new ATOM 808 N GLN A 52 4.902 -0.842 -6.953 1.00 0.00 N ATOM 809 CA GLN A 52 3.896 0.213 -6.947 1.00 0.00 C ATOM 810 C GLN A 52 3.055 0.135 -8.216 1.00 0.00 C ATOM 811 O GLN A 52 1.837 0.282 -8.178 1.00 0.00 O ATOM 812 CB GLN A 52 4.559 1.591 -6.812 1.00 0.00 C ATOM 813 CG GLN A 52 4.793 2.303 -8.138 1.00 0.00 C ATOM 814 CD GLN A 52 3.744 3.361 -8.436 1.00 0.00 C ATOM 815 OE1 GLN A 52 3.978 4.273 -9.228 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.581 3.248 -7.802 1.00 0.00 N ATOM 0 H GLN A 52 5.865 -0.509 -7.000 1.00 0.00 H new ATOM 0 HA GLN A 52 3.241 0.072 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.935 2.222 -6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.515 1.474 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.778 2.769 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.799 1.568 -8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.427 2.477 -7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.843 3.933 -7.965 1.00 0.00 H new ATOM 825 N ASP A 53 3.722 -0.122 -9.334 1.00 0.00 N ATOM 826 CA ASP A 53 3.057 -0.254 -10.619 1.00 0.00 C ATOM 827 C ASP A 53 2.199 -1.508 -10.623 1.00 0.00 C ATOM 828 O ASP A 53 1.143 -1.555 -11.249 1.00 0.00 O ATOM 829 CB ASP A 53 4.082 -0.312 -11.753 1.00 0.00 C ATOM 830 CG ASP A 53 3.463 -0.022 -13.107 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.777 1.013 -13.236 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.665 -0.830 -14.038 1.00 0.00 O ATOM 0 H ASP A 53 4.734 -0.244 -9.373 1.00 0.00 H new ATOM 0 HA ASP A 53 2.422 0.617 -10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.877 0.408 -11.558 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.544 -1.299 -11.772 1.00 0.00 H new ATOM 837 N PHE A 54 2.688 -2.532 -9.932 1.00 0.00 N ATOM 838 CA PHE A 54 2.004 -3.808 -9.851 1.00 0.00 C ATOM 839 C PHE A 54 0.618 -3.659 -9.242 1.00 0.00 C ATOM 840 O PHE A 54 -0.375 -4.109 -9.814 1.00 0.00 O ATOM 841 CB PHE A 54 2.836 -4.753 -8.989 1.00 0.00 C ATOM 842 CG PHE A 54 3.309 -5.974 -9.714 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.476 -7.068 -9.863 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.587 -6.028 -10.242 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.907 -8.196 -10.527 1.00 0.00 C ATOM 846 CE2 PHE A 54 5.028 -7.152 -10.908 1.00 0.00 C ATOM 847 CZ PHE A 54 4.187 -8.240 -11.053 1.00 0.00 C ATOM 0 H PHE A 54 3.567 -2.497 -9.416 1.00 0.00 H new ATOM 0 HA PHE A 54 1.887 -4.206 -10.859 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.701 -4.212 -8.605 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.243 -5.060 -8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.477 -7.038 -9.454 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.247 -5.180 -10.131 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.248 -9.044 -10.637 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.028 -7.182 -11.315 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.528 -9.122 -11.575 1.00 0.00 H new ATOM 857 N LEU A 55 0.553 -3.008 -8.089 1.00 0.00 N ATOM 858 CA LEU A 55 -0.717 -2.781 -7.417 1.00 0.00 C ATOM 859 C LEU A 55 -1.504 -1.700 -8.139 1.00 0.00 C ATOM 860 O LEU A 55 -2.728 -1.751 -8.212 1.00 0.00 O ATOM 861 CB LEU A 55 -0.498 -2.386 -5.964 1.00 0.00 C ATOM 862 CG LEU A 55 0.742 -1.544 -5.714 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.373 -0.074 -5.688 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.411 -1.962 -4.420 1.00 0.00 C ATOM 0 H LEU A 55 1.364 -2.629 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.286 -3.710 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.371 -1.834 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.433 -3.292 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 55 1.452 -1.705 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.267 0.523 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.065 0.208 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.349 0.106 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.298 -1.350 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.716 -1.826 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.701 -3.011 -4.483 1.00 0.00 H new ATOM 876 N THR A 56 -0.778 -0.722 -8.671 1.00 0.00 N ATOM 877 CA THR A 56 -1.387 0.378 -9.397 1.00 0.00 C ATOM 878 C THR A 56 -2.135 -0.166 -10.606 1.00 0.00 C ATOM 879 O THR A 56 -3.238 0.279 -10.925 1.00 0.00 O ATOM 880 CB THR A 56 -0.309 1.386 -9.819 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.413 2.581 -9.067 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.355 1.766 -11.283 1.00 0.00 C ATOM 0 H THR A 56 0.239 -0.672 -8.610 1.00 0.00 H new ATOM 0 HA THR A 56 -2.099 0.896 -8.754 1.00 0.00 H new ATOM 0 HB THR A 56 0.634 0.873 -9.630 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.284 3.208 -9.351 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.439 2.481 -11.498 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.216 0.875 -11.895 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.321 2.216 -11.512 1.00 0.00 H new ATOM 890 N LYS A 57 -1.533 -1.156 -11.253 1.00 0.00 N ATOM 891 CA LYS A 57 -2.138 -1.798 -12.405 1.00 0.00 C ATOM 892 C LYS A 57 -3.242 -2.727 -11.929 1.00 0.00 C ATOM 893 O LYS A 57 -4.278 -2.871 -12.579 1.00 0.00 O ATOM 894 CB LYS A 57 -1.091 -2.582 -13.198 1.00 0.00 C ATOM 895 CG LYS A 57 -1.203 -2.397 -14.703 1.00 0.00 C ATOM 896 CD LYS A 57 -0.188 -1.388 -15.217 1.00 0.00 C ATOM 897 CE LYS A 57 -0.774 0.014 -15.267 1.00 0.00 C ATOM 898 NZ LYS A 57 -0.583 0.648 -16.601 1.00 0.00 N ATOM 0 H LYS A 57 -0.620 -1.531 -10.995 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.557 -1.037 -13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.097 -2.273 -12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.188 -3.642 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.050 -3.355 -15.201 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.209 -2.063 -14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.691 -1.394 -14.572 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.145 -1.680 -16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.838 -0.029 -15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.305 0.631 -14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.996 1.602 -16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.433 0.712 -16.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.053 0.073 -17.329 1.00 0.00 H new ATOM 912 N HIS A 58 -3.013 -3.339 -10.769 1.00 0.00 N ATOM 913 CA HIS A 58 -3.986 -4.239 -10.175 1.00 0.00 C ATOM 914 C HIS A 58 -5.228 -3.458 -9.768 1.00 0.00 C ATOM 915 O HIS A 58 -6.340 -3.984 -9.783 1.00 0.00 O ATOM 916 CB HIS A 58 -3.388 -4.941 -8.956 1.00 0.00 C ATOM 917 CG HIS A 58 -4.073 -6.227 -8.612 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.143 -6.301 -7.744 1.00 0.00 N ATOM 919 CD2 HIS A 58 -3.837 -7.495 -9.025 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.535 -7.558 -7.639 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.760 -8.302 -8.407 1.00 0.00 N ATOM 0 H HIS A 58 -2.158 -3.224 -10.224 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.261 -4.994 -10.911 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.332 -5.139 -9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.440 -4.270 -8.098 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.565 -5.509 -7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.067 -7.812 -9.712 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.351 -7.916 -7.029 1.00 0.00 H new ATOM 983 N GLY A 63 -7.990 2.687 -6.005 1.00 0.00 N ATOM 984 CA GLY A 63 -6.620 2.840 -5.548 1.00 0.00 C ATOM 985 C GLY A 63 -6.273 1.910 -4.401 1.00 0.00 C ATOM 986 O GLY A 63 -7.154 1.307 -3.793 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.942 2.651 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.460 3.871 -5.234 1.00 0.00 H new ATOM 990 N SER A 64 -4.983 1.805 -4.105 1.00 0.00 N ATOM 991 CA SER A 64 -4.506 0.948 -3.025 1.00 0.00 C ATOM 992 C SER A 64 -3.886 1.785 -1.914 1.00 0.00 C ATOM 993 O SER A 64 -3.532 2.944 -2.126 1.00 0.00 O ATOM 994 CB SER A 64 -3.482 -0.057 -3.559 1.00 0.00 C ATOM 995 OG SER A 64 -2.304 -0.056 -2.770 1.00 0.00 O ATOM 0 H SER A 64 -4.245 2.305 -4.600 1.00 0.00 H new ATOM 0 HA SER A 64 -5.357 0.402 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.918 -1.056 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.232 0.188 -4.591 1.00 0.00 H new ATOM 0 HG SER A 64 -1.667 -0.707 -3.132 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.748 1.198 -0.729 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.162 1.918 0.396 1.00 0.00 C ATOM 1003 C TRP A 65 -1.762 1.410 0.684 1.00 0.00 C ATOM 1004 O TRP A 65 -1.528 0.204 0.748 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.039 1.796 1.643 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.167 2.782 1.661 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.065 4.140 1.745 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.565 2.487 1.589 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.315 4.708 1.730 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.253 3.714 1.635 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.303 1.305 1.491 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.642 3.791 1.584 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.682 1.383 1.440 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.339 2.618 1.486 1.00 0.00 C ATOM 0 H TRP A 65 -4.030 0.239 -0.524 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.101 2.972 0.125 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.445 0.786 1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.423 1.941 2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.137 4.688 1.813 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.513 5.707 1.781 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.805 0.347 1.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.151 4.743 1.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.262 0.476 1.363 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.418 2.645 1.443 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.831 2.340 0.846 1.00 0.00 N ATOM 1026 CA ILE A 66 0.552 1.991 1.112 1.00 0.00 C ATOM 1027 C ILE A 66 0.953 2.344 2.536 1.00 0.00 C ATOM 1028 O ILE A 66 0.252 3.078 3.230 1.00 0.00 O ATOM 1029 CB ILE A 66 1.506 2.679 0.117 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.820 4.110 0.567 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.894 2.671 -1.276 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.331 4.999 -0.547 1.00 0.00 C ATOM 0 H ILE A 66 -1.012 3.343 0.797 1.00 0.00 H new ATOM 0 HA ILE A 66 0.635 0.911 0.986 1.00 0.00 H new ATOM 0 HB ILE A 66 2.444 2.125 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.919 4.554 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.564 4.076 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.574 3.159 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.725 1.642 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.055 3.206 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.532 5.996 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.250 4.578 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.580 5.064 -1.334 1.00 0.00 H new ATOM 1044 N GLY A 67 2.085 1.804 2.958 1.00 0.00 N ATOM 1045 CA GLY A 67 2.584 2.050 4.295 1.00 0.00 C ATOM 1046 C GLY A 67 3.256 3.395 4.431 1.00 0.00 C ATOM 1047 O GLY A 67 4.405 3.481 4.861 1.00 0.00 O ATOM 0 H GLY A 67 2.673 1.193 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.758 1.989 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.292 1.266 4.563 1.00 0.00 H new ATOM 1051 N LEU A 68 2.542 4.449 4.061 1.00 0.00 N ATOM 1052 CA LEU A 68 3.085 5.795 4.145 1.00 0.00 C ATOM 1053 C LEU A 68 2.168 6.741 4.918 1.00 0.00 C ATOM 1054 O LEU A 68 0.988 6.884 4.601 1.00 0.00 O ATOM 1055 CB LEU A 68 3.334 6.354 2.743 1.00 0.00 C ATOM 1056 CG LEU A 68 4.619 7.161 2.592 1.00 0.00 C ATOM 1057 CD1 LEU A 68 4.716 7.752 1.198 1.00 0.00 C ATOM 1058 CD2 LEU A 68 4.681 8.253 3.642 1.00 0.00 C ATOM 0 H LEU A 68 1.589 4.397 3.701 1.00 0.00 H new ATOM 0 HA LEU A 68 4.027 5.727 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.358 5.525 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.491 6.986 2.465 1.00 0.00 H new ATOM 0 HG LEU A 68 5.468 6.493 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.639 8.324 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.715 6.949 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.864 8.408 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.604 8.821 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.827 8.920 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.657 7.805 4.635 1.00 0.00 H new ATOM 1070 N ARG A 69 2.743 7.407 5.912 1.00 0.00 N ATOM 1071 CA ARG A 69 2.022 8.378 6.726 1.00 0.00 C ATOM 1072 C ARG A 69 2.904 9.601 6.972 1.00 0.00 C ATOM 1073 O ARG A 69 3.997 9.482 7.525 1.00 0.00 O ATOM 1074 CB ARG A 69 1.592 7.746 8.054 1.00 0.00 C ATOM 1075 CG ARG A 69 1.412 8.747 9.186 1.00 0.00 C ATOM 1076 CD ARG A 69 2.470 8.566 10.262 1.00 0.00 C ATOM 1077 NE ARG A 69 1.962 8.903 11.590 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.993 8.069 12.625 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.502 6.852 12.486 1.00 0.00 N ATOM 1080 NH2 ARG A 69 1.513 8.452 13.801 1.00 0.00 N ATOM 0 H ARG A 69 3.721 7.289 6.176 1.00 0.00 H new ATOM 0 HA ARG A 69 1.125 8.693 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.654 7.211 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.336 7.007 8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.465 9.761 8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.421 8.628 9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.818 7.533 10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.331 9.194 10.033 1.00 0.00 H new ATOM 0 HE ARG A 69 1.561 9.830 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.871 6.554 11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.524 6.215 13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.120 9.387 13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.537 7.812 14.595 1.00 0.00 H new ATOM 1094 N ASN A 70 2.438 10.775 6.560 1.00 0.00 N ATOM 1095 CA ASN A 70 3.211 11.999 6.743 1.00 0.00 C ATOM 1096 C ASN A 70 2.935 12.626 8.104 1.00 0.00 C ATOM 1097 O ASN A 70 1.841 12.493 8.652 1.00 0.00 O ATOM 1098 CB ASN A 70 2.902 13.000 5.627 1.00 0.00 C ATOM 1099 CG ASN A 70 4.047 13.961 5.376 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.542 14.610 6.298 1.00 0.00 O ATOM 1101 ND2 ASN A 70 4.474 14.058 4.122 1.00 0.00 N ATOM 0 H ASN A 70 1.537 10.905 6.101 1.00 0.00 H new ATOM 0 HA ASN A 70 4.268 11.737 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.679 12.458 4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.008 13.566 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.241 14.689 3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.035 13.501 3.389 1.00 0.00 H new ATOM 1202 N PHE A 77 7.192 13.005 4.955 1.00 0.00 N ATOM 1203 CA PHE A 77 6.485 11.735 4.933 1.00 0.00 C ATOM 1204 C PHE A 77 7.325 10.612 5.537 1.00 0.00 C ATOM 1205 O PHE A 77 8.532 10.521 5.311 1.00 0.00 O ATOM 1206 CB PHE A 77 6.046 11.373 3.505 1.00 0.00 C ATOM 1207 CG PHE A 77 7.119 11.427 2.440 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.422 11.823 2.723 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.807 11.075 1.135 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.381 11.870 1.731 1.00 0.00 C ATOM 1211 CE2 PHE A 77 7.766 11.119 0.139 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.054 11.517 0.438 1.00 0.00 C ATOM 0 HA PHE A 77 5.593 11.851 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.629 10.366 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.240 12.047 3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.687 12.098 3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.802 10.762 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.387 12.183 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.507 10.842 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.804 11.552 -0.339 1.00 0.00 H new ATOM 1222 N ILE A 78 6.665 9.764 6.319 1.00 0.00 N ATOM 1223 CA ILE A 78 7.318 8.642 6.980 1.00 0.00 C ATOM 1224 C ILE A 78 6.475 7.376 6.848 1.00 0.00 C ATOM 1225 O ILE A 78 5.253 7.427 6.931 1.00 0.00 O ATOM 1226 CB ILE A 78 7.571 8.948 8.471 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.960 9.583 8.637 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.416 7.690 9.322 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.876 8.866 9.611 1.00 0.00 C ATOM 0 H ILE A 78 5.666 9.835 6.511 1.00 0.00 H new ATOM 0 HA ILE A 78 8.279 8.482 6.491 1.00 0.00 H new ATOM 0 HB ILE A 78 6.824 9.660 8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.446 9.619 7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.835 10.614 8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.600 7.934 10.368 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.404 7.299 9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.133 6.938 8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.832 9.387 9.662 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.417 8.853 10.600 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.038 7.843 9.272 1.00 0.00 H new ATOM 1241 N TRP A 79 7.134 6.244 6.638 1.00 0.00 N ATOM 1242 CA TRP A 79 6.431 4.974 6.484 1.00 0.00 C ATOM 1243 C TRP A 79 5.917 4.454 7.824 1.00 0.00 C ATOM 1244 O TRP A 79 6.473 4.760 8.877 1.00 0.00 O ATOM 1245 CB TRP A 79 7.356 3.929 5.852 1.00 0.00 C ATOM 1246 CG TRP A 79 7.793 4.272 4.460 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.177 5.128 3.593 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.939 3.760 3.772 1.00 0.00 C ATOM 1249 NE1 TRP A 79 7.873 5.181 2.409 1.00 0.00 N ATOM 1250 CE2 TRP A 79 8.958 4.350 2.494 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.954 2.860 4.113 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.951 4.068 1.558 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.939 2.582 3.184 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.931 3.185 1.919 1.00 0.00 C ATOM 0 H TRP A 79 8.150 6.177 6.570 1.00 0.00 H new ATOM 0 HA TRP A 79 5.575 5.149 5.832 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.238 3.810 6.481 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.844 2.967 5.836 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.275 5.682 3.806 1.00 0.00 H new ATOM 0 HE1 TRP A 79 7.622 5.747 1.599 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.968 2.390 5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.947 4.530 0.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 11.728 1.889 3.437 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.715 2.948 1.215 1.00 0.00 H new ATOM 1265 N VAL A 80 4.849 3.659 7.765 1.00 0.00 N ATOM 1266 CA VAL A 80 4.247 3.078 8.963 1.00 0.00 C ATOM 1267 C VAL A 80 5.258 2.214 9.711 1.00 0.00 C ATOM 1268 O VAL A 80 5.169 2.041 10.927 1.00 0.00 O ATOM 1269 CB VAL A 80 3.014 2.218 8.601 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.279 1.426 7.335 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.633 1.291 9.748 1.00 0.00 C ATOM 0 H VAL A 80 4.382 3.402 6.896 1.00 0.00 H new ATOM 0 HA VAL A 80 3.932 3.902 9.604 1.00 0.00 H new ATOM 0 HB VAL A 80 2.173 2.888 8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.403 0.825 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.488 2.112 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.137 0.771 7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.763 0.699 9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.467 0.626 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.396 1.884 10.631 1.00 0.00 H new ATOM 1281 N ASP A 81 6.224 1.679 8.971 1.00 0.00 N ATOM 1282 CA ASP A 81 7.258 0.835 9.555 1.00 0.00 C ATOM 1283 C ASP A 81 8.295 1.682 10.277 1.00 0.00 C ATOM 1284 O ASP A 81 9.285 1.165 10.796 1.00 0.00 O ATOM 1285 CB ASP A 81 7.933 -0.002 8.468 1.00 0.00 C ATOM 1286 CG ASP A 81 8.654 -1.210 9.034 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.981 -2.223 9.320 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.891 -1.144 9.188 1.00 0.00 O ATOM 0 H ASP A 81 6.311 1.816 7.964 1.00 0.00 H new ATOM 0 HA ASP A 81 6.789 0.167 10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.183 -0.333 7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.643 0.620 7.923 1.00 0.00 H new ATOM 1293 N GLY A 82 8.056 2.988 10.312 1.00 0.00 N ATOM 1294 CA GLY A 82 8.970 3.891 10.977 1.00 0.00 C ATOM 1295 C GLY A 82 10.221 4.161 10.165 1.00 0.00 C ATOM 1296 O GLY A 82 11.327 4.180 10.707 1.00 0.00 O ATOM 0 H GLY A 82 7.243 3.436 9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.461 4.834 11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.252 3.470 11.942 1.00 0.00 H new ATOM 1300 N SER A 83 10.049 4.369 8.863 1.00 0.00 N ATOM 1301 CA SER A 83 11.176 4.639 7.980 1.00 0.00 C ATOM 1302 C SER A 83 10.826 5.715 6.958 1.00 0.00 C ATOM 1303 O SER A 83 9.913 5.543 6.152 1.00 0.00 O ATOM 1304 CB SER A 83 11.606 3.358 7.262 1.00 0.00 C ATOM 1305 OG SER A 83 12.701 2.746 7.921 1.00 0.00 O ATOM 0 H SER A 83 9.141 4.356 8.398 1.00 0.00 H new ATOM 0 HA SER A 83 12.003 5.002 8.591 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.768 2.662 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.880 3.589 6.233 1.00 0.00 H new ATOM 0 HG SER A 83 12.955 1.929 7.443 1.00 0.00 H new ATOM 1311 N HIS A 84 11.559 6.825 6.998 1.00 0.00 N ATOM 1312 CA HIS A 84 11.328 7.930 6.075 1.00 0.00 C ATOM 1313 C HIS A 84 11.296 7.437 4.633 1.00 0.00 C ATOM 1314 O HIS A 84 12.068 6.558 4.250 1.00 0.00 O ATOM 1315 CB HIS A 84 12.415 8.995 6.239 1.00 0.00 C ATOM 1316 CG HIS A 84 13.757 8.436 6.596 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.380 8.685 7.801 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.598 7.634 5.900 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.546 8.063 7.830 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.701 7.418 6.689 1.00 0.00 N ATOM 0 H HIS A 84 12.318 6.982 7.661 1.00 0.00 H new ATOM 0 HA HIS A 84 10.359 8.371 6.310 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.502 9.559 5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.107 9.699 7.012 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.432 7.238 4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.251 8.080 8.648 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.510 6.851 6.434 1.00 0.00 H new ATOM 1329 N VAL A 85 10.395 8.005 3.840 1.00 0.00 N ATOM 1330 CA VAL A 85 10.255 7.624 2.440 1.00 0.00 C ATOM 1331 C VAL A 85 11.559 7.841 1.680 1.00 0.00 C ATOM 1332 O VAL A 85 12.368 8.693 2.047 1.00 0.00 O ATOM 1333 CB VAL A 85 9.121 8.413 1.764 1.00 0.00 C ATOM 1334 CG1 VAL A 85 8.863 7.902 0.356 1.00 0.00 C ATOM 1335 CG2 VAL A 85 7.859 8.331 2.604 1.00 0.00 C ATOM 0 H VAL A 85 9.749 8.733 4.144 1.00 0.00 H new ATOM 0 HA VAL A 85 10.007 6.563 2.414 1.00 0.00 H new ATOM 0 HB VAL A 85 9.426 9.457 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.057 8.478 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.768 8.011 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.579 6.850 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.061 8.892 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.558 7.289 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.051 8.753 3.591 1.00 0.00 H new ATOM 1345 N ASP A 86 11.767 7.053 0.629 1.00 0.00 N ATOM 1346 CA ASP A 86 12.984 7.150 -0.167 1.00 0.00 C ATOM 1347 C ASP A 86 12.691 7.588 -1.600 1.00 0.00 C ATOM 1348 O ASP A 86 12.898 8.748 -1.959 1.00 0.00 O ATOM 1349 CB ASP A 86 13.711 5.804 -0.177 1.00 0.00 C ATOM 1350 CG ASP A 86 14.199 5.401 1.201 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.800 6.252 1.890 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.980 4.235 1.590 1.00 0.00 O ATOM 0 H ASP A 86 11.109 6.342 0.310 1.00 0.00 H new ATOM 0 HA ASP A 86 13.618 7.908 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.041 5.035 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.560 5.857 -0.859 1.00 0.00 H new ATOM 1357 N TYR A 87 12.235 6.647 -2.421 1.00 0.00 N ATOM 1358 CA TYR A 87 11.942 6.926 -3.822 1.00 0.00 C ATOM 1359 C TYR A 87 10.648 7.714 -3.994 1.00 0.00 C ATOM 1360 O TYR A 87 10.579 8.627 -4.818 1.00 0.00 O ATOM 1361 CB TYR A 87 11.859 5.619 -4.616 1.00 0.00 C ATOM 1362 CG TYR A 87 13.181 5.185 -5.208 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.618 5.691 -6.427 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.990 4.267 -4.551 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.824 5.295 -6.971 1.00 0.00 C ATOM 1366 CE2 TYR A 87 15.198 3.867 -5.088 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.610 4.384 -6.299 1.00 0.00 C ATOM 1368 OH TYR A 87 16.813 3.987 -6.839 1.00 0.00 O ATOM 0 H TYR A 87 12.060 5.682 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 87 12.758 7.539 -4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.486 4.830 -3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.132 5.737 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.005 6.405 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.669 3.859 -3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.150 5.697 -7.919 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.816 3.154 -4.563 1.00 0.00 H new ATOM 0 HH TYR A 87 17.244 3.342 -6.240 1.00 0.00 H new ATOM 1378 N SER A 88 9.620 7.344 -3.232 1.00 0.00 N ATOM 1379 CA SER A 88 8.315 7.999 -3.318 1.00 0.00 C ATOM 1380 C SER A 88 7.811 7.990 -4.760 1.00 0.00 C ATOM 1381 O SER A 88 8.515 7.549 -5.668 1.00 0.00 O ATOM 1382 CB SER A 88 8.374 9.432 -2.779 1.00 0.00 C ATOM 1383 OG SER A 88 9.683 9.970 -2.861 1.00 0.00 O ATOM 0 H SER A 88 9.666 6.591 -2.545 1.00 0.00 H new ATOM 0 HA SER A 88 7.616 7.439 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.686 10.062 -3.343 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.040 9.445 -1.742 1.00 0.00 H new ATOM 0 HG SER A 88 10.024 9.862 -3.773 1.00 0.00 H new ATOM 1389 N ASN A 89 6.585 8.450 -4.970 1.00 0.00 N ATOM 1390 CA ASN A 89 6.015 8.455 -6.310 1.00 0.00 C ATOM 1391 C ASN A 89 5.161 9.697 -6.579 1.00 0.00 C ATOM 1392 O ASN A 89 4.743 9.911 -7.716 1.00 0.00 O ATOM 1393 CB ASN A 89 5.199 7.179 -6.516 1.00 0.00 C ATOM 1394 CG ASN A 89 6.059 6.016 -6.960 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.130 6.204 -7.538 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.594 4.804 -6.694 1.00 0.00 N ATOM 0 H ASN A 89 5.974 8.819 -4.242 1.00 0.00 H new ATOM 0 HA ASN A 89 6.837 8.487 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.692 6.920 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.425 7.361 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.129 3.981 -6.970 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.701 4.695 -6.213 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.740 11.101 4.559 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.598 9.757 4.013 1.00 0.00 C ATOM 1600 C CYS A 104 -1.400 9.801 2.501 1.00 0.00 C ATOM 1601 O CYS A 104 -1.904 10.694 1.820 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.832 8.907 4.340 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.781 9.464 5.796 1.00 0.00 S ATOM 0 HA CYS A 104 -0.719 9.305 4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.493 8.903 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.514 7.877 4.503 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.509 10.712 6.040 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.671 8.824 1.981 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.419 8.743 0.554 1.00 0.00 C ATOM 1610 C VAL A 105 -1.313 7.695 -0.092 1.00 0.00 C ATOM 1611 O VAL A 105 -1.470 6.588 0.426 1.00 0.00 O ATOM 1612 CB VAL A 105 1.056 8.414 0.258 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.253 8.064 -1.210 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.938 9.586 0.649 1.00 0.00 C ATOM 0 H VAL A 105 -0.244 8.077 2.529 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.646 9.721 0.131 1.00 0.00 H new ATOM 0 HB VAL A 105 1.341 7.544 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.303 7.836 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.644 7.196 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.953 8.909 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.979 9.345 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.646 10.467 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.823 9.789 1.714 1.00 0.00 H new ATOM 1624 N MET A 106 -1.898 8.055 -1.223 1.00 0.00 N ATOM 1625 CA MET A 106 -2.782 7.162 -1.950 1.00 0.00 C ATOM 1626 C MET A 106 -2.220 6.867 -3.331 1.00 0.00 C ATOM 1627 O MET A 106 -1.300 7.536 -3.794 1.00 0.00 O ATOM 1628 CB MET A 106 -4.174 7.779 -2.074 1.00 0.00 C ATOM 1629 CG MET A 106 -4.168 9.184 -2.654 1.00 0.00 C ATOM 1630 SD MET A 106 -5.798 9.712 -3.217 1.00 0.00 S ATOM 1631 CE MET A 106 -5.423 10.250 -4.883 1.00 0.00 C ATOM 0 H MET A 106 -1.774 8.968 -1.660 1.00 0.00 H new ATOM 0 HA MET A 106 -2.859 6.227 -1.396 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.792 7.138 -2.703 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.640 7.804 -1.089 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.805 9.882 -1.900 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.469 9.225 -3.489 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.337 10.590 -5.370 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.705 11.069 -4.848 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.999 9.419 -5.447 1.00 0.00 H new ATOM 1641 N MET A 107 -2.775 5.861 -3.984 1.00 0.00 N ATOM 1642 CA MET A 107 -2.327 5.476 -5.314 1.00 0.00 C ATOM 1643 C MET A 107 -3.502 5.461 -6.285 1.00 0.00 C ATOM 1644 O MET A 107 -4.543 4.871 -5.996 1.00 0.00 O ATOM 1645 CB MET A 107 -1.661 4.096 -5.256 1.00 0.00 C ATOM 1646 CG MET A 107 -1.745 3.313 -6.554 1.00 0.00 C ATOM 1647 SD MET A 107 -3.246 2.321 -6.681 1.00 0.00 S ATOM 1648 CE MET A 107 -3.786 2.737 -8.338 1.00 0.00 C ATOM 0 H MET A 107 -3.538 5.294 -3.615 1.00 0.00 H new ATOM 0 HA MET A 107 -1.599 6.205 -5.670 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.612 4.221 -4.987 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.126 3.513 -4.461 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.702 4.006 -7.394 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.876 2.660 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.261 1.869 -8.795 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.500 3.559 -8.292 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.926 3.036 -8.937 1.00 0.00 H new ATOM 1707 N ARG A 112 0.191 5.991 -10.194 1.00 0.00 N ATOM 1708 CA ARG A 112 1.280 6.160 -9.242 1.00 0.00 C ATOM 1709 C ARG A 112 0.750 6.504 -7.853 1.00 0.00 C ATOM 1710 O ARG A 112 -0.300 6.015 -7.437 1.00 0.00 O ATOM 1711 CB ARG A 112 2.247 7.240 -9.727 1.00 0.00 C ATOM 1712 CG ARG A 112 1.559 8.496 -10.230 1.00 0.00 C ATOM 1713 CD ARG A 112 2.484 9.318 -11.109 1.00 0.00 C ATOM 1714 NE ARG A 112 3.173 8.495 -12.101 1.00 0.00 N ATOM 1715 CZ ARG A 112 4.424 8.709 -12.498 1.00 0.00 C ATOM 1716 NH1 ARG A 112 5.123 9.715 -11.988 1.00 0.00 N ATOM 1717 NH2 ARG A 112 4.978 7.917 -13.405 1.00 0.00 N ATOM 0 HA ARG A 112 1.816 5.214 -9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.918 7.507 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.864 6.830 -10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.666 8.223 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.230 9.097 -9.382 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.908 10.092 -11.617 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.220 9.826 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 112 2.665 7.712 -12.512 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.701 10.327 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.082 9.877 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.445 7.142 -13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.938 8.082 -13.709 1.00 0.00 H new ATOM 1731 N TRP A 113 1.492 7.344 -7.144 1.00 0.00 N ATOM 1732 CA TRP A 113 1.131 7.765 -5.800 1.00 0.00 C ATOM 1733 C TRP A 113 0.680 9.203 -5.778 1.00 0.00 C ATOM 1734 O TRP A 113 0.975 9.979 -6.679 1.00 0.00 O ATOM 1735 CB TRP A 113 2.313 7.697 -4.843 1.00 0.00 C ATOM 1736 CG TRP A 113 2.851 6.343 -4.560 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.595 5.177 -5.216 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.785 6.040 -3.534 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.325 4.160 -4.652 1.00 0.00 N ATOM 1740 CE2 TRP A 113 4.062 4.667 -3.610 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.412 6.812 -2.554 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.948 4.040 -2.736 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.292 6.191 -1.687 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.553 4.817 -1.783 1.00 0.00 C ATOM 0 H TRP A 113 2.362 7.752 -7.486 1.00 0.00 H new ATOM 0 HA TRP A 113 0.336 7.086 -5.492 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.119 8.307 -5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.015 8.152 -3.898 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.920 5.069 -6.052 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.321 3.187 -4.957 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.214 7.871 -2.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.150 2.981 -2.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.786 6.774 -0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.246 4.361 -1.091 1.00 0.00 H new ATOM 1755 N ASN A 114 0.027 9.554 -4.692 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.399 10.913 -4.469 1.00 0.00 C ATOM 1757 C ASN A 114 -0.305 11.215 -2.981 1.00 0.00 C ATOM 1758 O ASN A 114 -0.958 10.572 -2.162 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.831 11.120 -4.965 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.885 11.522 -6.425 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.948 12.708 -6.752 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.860 10.535 -7.312 1.00 0.00 N ATOM 0 H ASN A 114 -0.221 8.907 -3.944 1.00 0.00 H new ATOM 0 HA ASN A 114 0.247 11.592 -5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.398 10.200 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.314 11.888 -4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.893 10.745 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.807 9.567 -6.996 1.00 0.00 H new ATOM 1769 N ASP A 115 0.508 12.201 -2.643 1.00 0.00 N ATOM 1770 CA ASP A 115 0.693 12.601 -1.258 1.00 0.00 C ATOM 1771 C ASP A 115 -0.317 13.687 -0.895 1.00 0.00 C ATOM 1772 O ASP A 115 -0.255 14.801 -1.417 1.00 0.00 O ATOM 1773 CB ASP A 115 2.129 13.095 -1.050 1.00 0.00 C ATOM 1774 CG ASP A 115 2.587 12.949 0.389 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.968 13.574 1.275 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.563 12.208 0.628 1.00 0.00 O ATOM 0 H ASP A 115 1.054 12.743 -3.313 1.00 0.00 H new ATOM 0 HA ASP A 115 0.526 11.745 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.801 12.536 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.197 14.142 -1.346 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.265 13.348 -0.022 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.300 14.286 0.376 1.00 0.00 C ATOM 1783 C ALA A 116 -2.777 14.027 1.799 1.00 0.00 C ATOM 1784 O ALA A 116 -2.514 12.973 2.374 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.471 14.222 -0.593 1.00 0.00 C ATOM 0 H ALA A 116 -1.333 12.431 0.419 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.868 15.286 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.239 14.930 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.128 14.476 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.886 13.214 -0.596 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.935 5.997 -1.563 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.602 4.965 -2.538 1.00 0.00 C ATOM 1881 C LEU A 122 -10.660 3.866 -2.540 1.00 0.00 C ATOM 1882 O LEU A 122 -11.831 4.127 -2.263 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.224 4.373 -2.233 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.062 5.361 -2.336 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.862 6.087 -1.016 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.787 4.645 -2.748 1.00 0.00 C ATOM 0 HA LEU A 122 -9.577 5.421 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.239 3.956 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.040 3.546 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.305 6.098 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.031 6.786 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.770 6.634 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.642 5.362 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.971 5.365 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.540 3.886 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.934 4.170 -3.718 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.251 2.640 -2.855 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.194 1.538 -2.883 1.00 0.00 C ATOM 1900 C GLY A 123 -10.531 0.177 -2.794 1.00 0.00 C ATOM 1901 O GLY A 123 -11.166 -0.841 -3.067 1.00 0.00 O ATOM 0 H GLY A 123 -9.290 2.392 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.895 1.648 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.776 1.591 -3.803 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.258 0.148 -2.409 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.536 -1.111 -2.288 1.00 0.00 C ATOM 1907 C ALA A 124 -7.509 -1.052 -1.172 1.00 0.00 C ATOM 1908 O ALA A 124 -6.756 -0.085 -1.058 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.870 -1.477 -3.606 1.00 0.00 C ATOM 0 H ALA A 124 -8.710 0.977 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.260 -1.886 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.336 -2.421 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.629 -1.579 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.167 -0.693 -3.888 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.476 -2.097 -0.353 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.530 -2.164 0.750 1.00 0.00 C ATOM 1917 C TRP A 125 -5.428 -3.164 0.438 1.00 0.00 C ATOM 1918 O TRP A 125 -5.681 -4.354 0.264 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.232 -2.513 2.070 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.103 -3.736 2.017 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.116 -3.992 1.138 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -8.048 -4.860 2.901 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.686 -5.210 1.414 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -9.049 -5.762 2.495 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -7.247 -5.195 3.997 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -9.270 -6.973 3.144 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.467 -6.398 4.642 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.471 -7.275 4.213 1.00 0.00 C ATOM 0 H TRP A 125 -8.092 -2.906 -0.433 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.080 -1.179 0.872 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.475 -2.657 2.841 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.842 -1.663 2.377 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.424 -3.332 0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.457 -5.635 0.899 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.470 -4.525 4.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -10.045 -7.650 2.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.855 -6.666 5.490 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.618 -8.208 4.736 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.205 -2.660 0.352 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.054 -3.485 0.039 1.00 0.00 C ATOM 1941 C VAL A 126 -2.120 -3.591 1.247 1.00 0.00 C ATOM 1942 O VAL A 126 -1.874 -2.611 1.950 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.294 -2.909 -1.173 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.863 -3.379 -1.195 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.976 -3.292 -2.470 1.00 0.00 C ATOM 0 H VAL A 126 -3.987 -1.674 0.497 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.408 -4.485 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.302 -1.823 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.354 -2.956 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.360 -3.055 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.838 -4.467 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.421 -2.874 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.005 -4.378 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.993 -2.900 -2.476 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.626 -4.801 1.483 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.737 -5.088 2.607 1.00 0.00 C ATOM 1957 C CYS A 127 0.395 -6.001 2.168 1.00 0.00 C ATOM 1958 O CYS A 127 0.338 -6.589 1.096 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.507 -5.743 3.755 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.174 -5.059 4.022 1.00 0.00 S ATOM 0 H CYS A 127 -1.830 -5.613 0.901 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.321 -4.143 2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.592 -6.812 3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.930 -5.634 4.673 1.00 0.00 H new ATOM 1965 N ASP A 128 1.427 -6.114 2.994 1.00 0.00 N ATOM 1966 CA ASP A 128 2.551 -6.968 2.670 1.00 0.00 C ATOM 1967 C ASP A 128 2.808 -7.956 3.800 1.00 0.00 C ATOM 1968 O ASP A 128 2.652 -7.632 4.976 1.00 0.00 O ATOM 1969 CB ASP A 128 3.803 -6.130 2.416 1.00 0.00 C ATOM 1970 CG ASP A 128 4.336 -5.486 3.679 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.786 -4.443 4.093 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.305 -6.023 4.257 1.00 0.00 O ATOM 0 H ASP A 128 1.505 -5.627 3.887 1.00 0.00 H new ATOM 0 HA ASP A 128 2.310 -7.523 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.577 -6.762 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.575 -5.354 1.685 1.00 0.00 H new ATOM 1977 N ARG A 129 3.203 -9.162 3.425 1.00 0.00 N ATOM 1978 CA ARG A 129 3.485 -10.217 4.386 1.00 0.00 C ATOM 1979 C ARG A 129 4.416 -11.250 3.772 1.00 0.00 C ATOM 1980 O ARG A 129 4.414 -11.451 2.560 1.00 0.00 O ATOM 1981 CB ARG A 129 2.184 -10.885 4.841 1.00 0.00 C ATOM 1982 CG ARG A 129 2.387 -11.973 5.884 1.00 0.00 C ATOM 1983 CD ARG A 129 2.701 -11.385 7.251 1.00 0.00 C ATOM 1984 NE ARG A 129 2.961 -12.422 8.246 1.00 0.00 N ATOM 1985 CZ ARG A 129 2.923 -12.211 9.557 1.00 0.00 C ATOM 1986 NH1 ARG A 129 2.634 -11.007 10.032 1.00 0.00 N ATOM 1987 NH2 ARG A 129 3.172 -13.206 10.398 1.00 0.00 N ATOM 0 H ARG A 129 3.337 -9.437 2.452 1.00 0.00 H new ATOM 0 HA ARG A 129 3.973 -9.775 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.518 -10.124 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.684 -11.315 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.489 -12.588 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.201 -12.629 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.570 -10.731 7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.865 -10.768 7.581 1.00 0.00 H new ATOM 0 HE ARG A 129 3.184 -13.361 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.440 -10.239 9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.606 -10.849 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.393 -14.135 10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.143 -13.043 11.404 1.00 0.00 H new ATOM 2001 N LEU A 130 5.206 -11.908 4.607 1.00 0.00 N ATOM 2002 CA LEU A 130 6.132 -12.922 4.126 1.00 0.00 C ATOM 2003 C LEU A 130 5.378 -14.126 3.570 1.00 0.00 C ATOM 2004 O LEU A 130 4.432 -14.616 4.185 1.00 0.00 O ATOM 2005 CB LEU A 130 7.080 -13.350 5.249 1.00 0.00 C ATOM 2006 CG LEU A 130 8.330 -12.476 5.425 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.553 -13.177 4.856 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.145 -11.110 4.768 1.00 0.00 C ATOM 0 H LEU A 130 5.225 -11.759 5.616 1.00 0.00 H new ATOM 0 HA LEU A 130 6.723 -12.492 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.526 -13.354 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.398 -14.376 5.062 1.00 0.00 H new ATOM 0 HG LEU A 130 8.482 -12.318 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.430 -12.544 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.706 -14.122 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.401 -13.368 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.046 -10.513 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.960 -11.241 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.297 -10.599 5.223 1.00 0.00 H new ATOM 2020 N ALA A 131 5.800 -14.586 2.392 1.00 0.00 N ATOM 2021 CA ALA A 131 5.165 -15.723 1.731 1.00 0.00 C ATOM 2022 C ALA A 131 5.018 -16.914 2.673 1.00 0.00 C ATOM 2023 O ALA A 131 5.666 -16.981 3.718 1.00 0.00 O ATOM 2024 CB ALA A 131 5.957 -16.124 0.497 1.00 0.00 C ATOM 0 H ALA A 131 6.583 -14.185 1.875 1.00 0.00 H new ATOM 0 HA ALA A 131 4.164 -15.413 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.473 -16.973 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.997 -15.285 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.970 -16.402 0.789 1.00 0.00 H new