USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 791 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 76 SER OG : rot -14:sc= 0.76 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 148:sc= 0.59 (180deg=-0.0066) USER MOD Set 2.1: A 61 GLN : amide:sc= 0.717 K(o=0.74,f=-5.6!) USER MOD Set 2.2: A 90 ASN : amide:sc= 0.0274 K(o=0.74,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -70:sc= 0.55 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.85 K(o=1.9,f=-5.3!) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0699) USER MOD Single : A 28 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 29 TYR OH : rot 168:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.994 K(o=0.99,f=-4.7!) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0632) USER MOD Single : A 41 CYS SG : rot 29:sc= -0.336 USER MOD Single : A 42 MET CE :methyl -177:sc= 0 (180deg=-0.0207) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc=-0.00397 (180deg=-0.182) USER MOD Single : A 58 TYR OH : rot 179:sc= 0.0416 USER MOD Single : A 60 TYR OH : rot 10:sc= 1.29 USER MOD Single : A 63 TYR OH : rot -62:sc= 1.24 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -47:sc= 0.632 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc=-0.00395 (180deg=-0.0947) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.417 -15.824 -5.282 1.00 0.00 N ATOM 2 CA GLY A 1 9.220 -15.169 -3.974 1.00 0.00 C ATOM 3 C GLY A 1 8.958 -13.671 -4.126 1.00 0.00 C ATOM 4 O GLY A 1 9.707 -12.851 -3.602 1.00 0.00 O ATOM 0 H1 GLY A 1 9.592 -16.839 -5.139 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.565 -15.698 -5.865 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.233 -15.397 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.381 -15.635 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.103 -15.323 -3.353 1.00 0.00 H new ATOM 10 N GLU A 2 7.896 -13.322 -4.857 1.00 0.00 N ATOM 11 CA GLU A 2 7.432 -11.963 -5.092 1.00 0.00 C ATOM 12 C GLU A 2 5.905 -12.028 -5.167 1.00 0.00 C ATOM 13 O GLU A 2 5.375 -13.123 -5.343 1.00 0.00 O ATOM 14 CB GLU A 2 8.019 -11.432 -6.406 1.00 0.00 C ATOM 15 CG GLU A 2 9.546 -11.292 -6.342 1.00 0.00 C ATOM 16 CD GLU A 2 10.072 -10.505 -7.534 1.00 0.00 C ATOM 17 OE1 GLU A 2 10.029 -9.259 -7.444 1.00 0.00 O ATOM 18 OE2 GLU A 2 10.485 -11.157 -8.516 1.00 0.00 O ATOM 0 H GLU A 2 7.312 -14.018 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 2 7.749 -11.289 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.751 -12.105 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.576 -10.463 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.830 -10.791 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.005 -12.280 -6.323 1.00 0.00 H new ATOM 25 N TRP A 3 5.214 -10.887 -5.033 1.00 0.00 N ATOM 26 CA TRP A 3 3.759 -10.833 -4.947 1.00 0.00 C ATOM 27 C TRP A 3 3.224 -11.843 -3.924 1.00 0.00 C ATOM 28 O TRP A 3 2.571 -12.820 -4.283 1.00 0.00 O ATOM 29 CB TRP A 3 3.123 -10.992 -6.333 1.00 0.00 C ATOM 30 CG TRP A 3 3.097 -9.789 -7.230 1.00 0.00 C ATOM 31 CD1 TRP A 3 3.482 -9.776 -8.526 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.608 -8.439 -6.949 1.00 0.00 C ATOM 33 NE1 TRP A 3 3.287 -8.519 -9.056 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.757 -7.649 -8.127 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.086 -7.784 -5.810 1.00 0.00 C ATOM 36 CZ2 TRP A 3 2.396 -6.294 -8.174 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.798 -6.410 -5.823 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.911 -5.672 -7.012 1.00 0.00 C ATOM 0 H TRP A 3 5.659 -9.971 -4.981 1.00 0.00 H new ATOM 0 HA TRP A 3 3.470 -9.847 -4.582 1.00 0.00 H new ATOM 0 HB2 TRP A 3 3.652 -11.789 -6.856 1.00 0.00 H new ATOM 0 HB3 TRP A 3 2.096 -11.329 -6.194 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.882 -10.623 -9.064 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.508 -8.263 -10.018 1.00 0.00 H new ATOM 0 HE3 TRP A 3 1.905 -8.353 -4.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.490 -5.735 -9.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.488 -5.918 -4.913 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.626 -4.630 -7.033 1.00 0.00 H new ATOM 49 N GLU A 4 3.497 -11.589 -2.641 1.00 0.00 N ATOM 50 CA GLU A 4 3.062 -12.443 -1.538 1.00 0.00 C ATOM 51 C GLU A 4 2.234 -11.614 -0.560 1.00 0.00 C ATOM 52 O GLU A 4 2.382 -10.390 -0.507 1.00 0.00 O ATOM 53 CB GLU A 4 4.295 -13.083 -0.882 1.00 0.00 C ATOM 54 CG GLU A 4 4.002 -14.082 0.248 1.00 0.00 C ATOM 55 CD GLU A 4 3.077 -15.214 -0.187 1.00 0.00 C ATOM 56 OE1 GLU A 4 3.608 -16.224 -0.695 1.00 0.00 O ATOM 57 OE2 GLU A 4 1.851 -15.036 -0.012 1.00 0.00 O ATOM 0 H GLU A 4 4.032 -10.775 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 4 2.426 -13.253 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.871 -13.593 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.927 -12.288 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.941 -14.504 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.550 -13.552 1.087 1.00 0.00 H new ATOM 64 N ILE A 5 1.352 -12.281 0.192 1.00 0.00 N ATOM 65 CA ILE A 5 0.518 -11.636 1.194 1.00 0.00 C ATOM 66 C ILE A 5 1.390 -11.392 2.423 1.00 0.00 C ATOM 67 O ILE A 5 2.201 -12.248 2.774 1.00 0.00 O ATOM 68 CB ILE A 5 -0.703 -12.503 1.557 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.499 -13.010 0.339 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.642 -11.792 2.543 1.00 0.00 C ATOM 71 CD1 ILE A 5 -2.250 -11.908 -0.414 1.00 0.00 C ATOM 0 H ILE A 5 1.201 -13.287 0.117 1.00 0.00 H new ATOM 0 HA ILE A 5 0.127 -10.696 0.803 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.279 -13.382 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.814 -13.505 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.215 -13.761 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.489 -12.440 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.101 -11.565 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.004 -10.865 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.786 -12.344 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.961 -11.427 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.539 -11.167 -0.780 1.00 0.00 H new ATOM 83 N ILE A 6 1.225 -10.246 3.079 1.00 0.00 N ATOM 84 CA ILE A 6 1.920 -9.928 4.314 1.00 0.00 C ATOM 85 C ILE A 6 0.955 -10.023 5.495 1.00 0.00 C ATOM 86 O ILE A 6 -0.258 -9.888 5.336 1.00 0.00 O ATOM 87 CB ILE A 6 2.653 -8.581 4.198 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.780 -7.337 3.952 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.693 -8.675 3.073 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.079 -6.813 5.209 1.00 0.00 C ATOM 0 H ILE A 6 0.598 -9.507 2.761 1.00 0.00 H new ATOM 0 HA ILE A 6 2.703 -10.663 4.503 1.00 0.00 H new ATOM 0 HB ILE A 6 3.094 -8.426 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.403 -6.544 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.027 -7.576 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.218 -7.724 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.408 -9.464 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.192 -8.903 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.484 -5.936 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.429 -7.589 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.825 -6.541 5.955 1.00 0.00 H new ATOM 102 N ASP A 7 1.499 -10.285 6.686 1.00 0.00 N ATOM 103 CA ASP A 7 0.719 -10.391 7.905 1.00 0.00 C ATOM 104 C ASP A 7 0.294 -8.989 8.320 1.00 0.00 C ATOM 105 O ASP A 7 1.138 -8.110 8.488 1.00 0.00 O ATOM 106 CB ASP A 7 1.545 -11.038 9.021 1.00 0.00 C ATOM 107 CG ASP A 7 1.980 -12.453 8.660 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.064 -12.571 8.047 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.218 -13.387 8.995 1.00 0.00 O ATOM 0 H ASP A 7 2.499 -10.429 6.824 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.155 -11.017 7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.426 -10.428 9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.958 -11.062 9.939 1.00 0.00 H new ATOM 114 N ILE A 8 -1.009 -8.780 8.487 1.00 0.00 N ATOM 115 CA ILE A 8 -1.551 -7.526 8.935 1.00 0.00 C ATOM 116 C ILE A 8 -1.098 -7.254 10.374 1.00 0.00 C ATOM 117 O ILE A 8 -1.309 -8.080 11.260 1.00 0.00 O ATOM 118 CB ILE A 8 -3.073 -7.545 8.719 1.00 0.00 C ATOM 119 CG1 ILE A 8 -3.842 -8.549 9.599 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.373 -7.776 7.229 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.353 -8.499 9.351 1.00 0.00 C ATOM 0 H ILE A 8 -1.716 -9.493 8.310 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.173 -6.684 8.355 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.439 -6.569 9.037 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.477 -9.557 9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.641 -8.337 10.649 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.452 -7.790 7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.932 -6.972 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.949 -8.730 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.851 -9.224 9.994 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.726 -7.499 9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.559 -8.738 8.308 1.00 0.00 H new ATOM 133 N GLY A 9 -0.425 -6.126 10.599 1.00 0.00 N ATOM 134 CA GLY A 9 0.144 -5.782 11.890 1.00 0.00 C ATOM 135 C GLY A 9 0.445 -4.284 11.960 1.00 0.00 C ATOM 136 O GLY A 9 0.002 -3.539 11.084 1.00 0.00 O ATOM 0 H GLY A 9 -0.261 -5.422 9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.549 -6.057 12.685 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.059 -6.351 12.054 1.00 0.00 H new ATOM 140 N PRO A 10 1.209 -3.826 12.967 1.00 0.00 N ATOM 141 CA PRO A 10 1.485 -2.413 13.180 1.00 0.00 C ATOM 142 C PRO A 10 2.109 -1.770 11.937 1.00 0.00 C ATOM 143 O PRO A 10 1.725 -0.668 11.555 1.00 0.00 O ATOM 144 CB PRO A 10 2.395 -2.336 14.410 1.00 0.00 C ATOM 145 CG PRO A 10 2.986 -3.741 14.533 1.00 0.00 C ATOM 146 CD PRO A 10 1.878 -4.633 13.977 1.00 0.00 C ATOM 0 HA PRO A 10 0.569 -1.848 13.354 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.176 -1.586 14.281 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.834 -2.061 15.303 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.909 -3.841 13.962 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.223 -3.990 15.568 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.287 -5.546 13.544 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.185 -4.935 14.762 1.00 0.00 H new ATOM 154 N PHE A 11 3.040 -2.471 11.283 1.00 0.00 N ATOM 155 CA PHE A 11 3.616 -2.065 10.008 1.00 0.00 C ATOM 156 C PHE A 11 2.511 -1.752 8.987 1.00 0.00 C ATOM 157 O PHE A 11 2.508 -0.702 8.345 1.00 0.00 O ATOM 158 CB PHE A 11 4.539 -3.191 9.521 1.00 0.00 C ATOM 159 CG PHE A 11 5.343 -2.897 8.268 1.00 0.00 C ATOM 160 CD1 PHE A 11 4.783 -3.149 7.003 1.00 0.00 C ATOM 161 CD2 PHE A 11 6.707 -2.565 8.372 1.00 0.00 C ATOM 162 CE1 PHE A 11 5.588 -3.096 5.852 1.00 0.00 C ATOM 163 CE2 PHE A 11 7.518 -2.542 7.224 1.00 0.00 C ATOM 164 CZ PHE A 11 6.962 -2.815 5.963 1.00 0.00 C ATOM 0 H PHE A 11 3.418 -3.351 11.635 1.00 0.00 H new ATOM 0 HA PHE A 11 4.197 -1.150 10.128 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.233 -3.438 10.324 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.932 -4.078 9.340 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.732 -3.384 6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.132 -2.327 9.336 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.151 -3.271 4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.570 -2.314 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.587 -2.809 5.082 1.00 0.00 H new ATOM 174 N THR A 12 1.554 -2.671 8.839 1.00 0.00 N ATOM 175 CA THR A 12 0.463 -2.559 7.889 1.00 0.00 C ATOM 176 C THR A 12 -0.429 -1.374 8.234 1.00 0.00 C ATOM 177 O THR A 12 -0.743 -0.550 7.375 1.00 0.00 O ATOM 178 CB THR A 12 -0.332 -3.866 7.898 1.00 0.00 C ATOM 179 OG1 THR A 12 0.529 -4.951 8.193 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.060 -4.088 6.572 1.00 0.00 C ATOM 0 H THR A 12 1.522 -3.528 9.391 1.00 0.00 H new ATOM 0 HA THR A 12 0.861 -2.386 6.889 1.00 0.00 H new ATOM 0 HB THR A 12 -1.093 -3.799 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.131 -5.106 7.435 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.614 -5.026 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.752 -3.265 6.395 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.333 -4.132 5.761 1.00 0.00 H new ATOM 188 N GLN A 13 -0.829 -1.299 9.506 1.00 0.00 N ATOM 189 CA GLN A 13 -1.607 -0.197 10.020 1.00 0.00 C ATOM 190 C GLN A 13 -0.911 1.111 9.662 1.00 0.00 C ATOM 191 O GLN A 13 -1.519 1.968 9.029 1.00 0.00 O ATOM 192 CB GLN A 13 -1.795 -0.365 11.529 1.00 0.00 C ATOM 193 CG GLN A 13 -2.717 -1.547 11.849 1.00 0.00 C ATOM 194 CD GLN A 13 -2.895 -1.707 13.353 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.186 -2.480 13.989 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.837 -0.970 13.937 1.00 0.00 N ATOM 0 H GLN A 13 -0.615 -2.012 10.203 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.600 -0.180 9.570 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.826 -0.519 12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.214 0.549 11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.688 -1.393 11.378 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.300 -2.462 11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.409 -0.337 13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.987 -1.038 14.944 1.00 0.00 H new ATOM 205 N ASN A 14 0.371 1.225 10.014 1.00 0.00 N ATOM 206 CA ASN A 14 1.185 2.395 9.745 1.00 0.00 C ATOM 207 C ASN A 14 1.181 2.747 8.262 1.00 0.00 C ATOM 208 O ASN A 14 0.971 3.905 7.917 1.00 0.00 O ATOM 209 CB ASN A 14 2.618 2.172 10.238 1.00 0.00 C ATOM 210 CG ASN A 14 3.493 3.389 9.954 1.00 0.00 C ATOM 211 OD1 ASN A 14 4.150 3.457 8.923 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.512 4.357 10.865 1.00 0.00 N ATOM 0 H ASN A 14 0.876 0.487 10.504 1.00 0.00 H new ATOM 0 HA ASN A 14 0.752 3.235 10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.610 1.968 11.309 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.041 1.294 9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.086 5.187 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.953 4.270 11.714 1.00 0.00 H new ATOM 219 N LEU A 15 1.398 1.764 7.384 1.00 0.00 N ATOM 220 CA LEU A 15 1.391 2.014 5.950 1.00 0.00 C ATOM 221 C LEU A 15 0.038 2.562 5.498 1.00 0.00 C ATOM 222 O LEU A 15 -0.017 3.559 4.779 1.00 0.00 O ATOM 223 CB LEU A 15 1.747 0.745 5.164 1.00 0.00 C ATOM 224 CG LEU A 15 3.254 0.587 4.913 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.489 -0.775 4.254 1.00 0.00 C ATOM 226 CD2 LEU A 15 3.775 1.675 3.963 1.00 0.00 C ATOM 0 H LEU A 15 1.579 0.795 7.644 1.00 0.00 H new ATOM 0 HA LEU A 15 2.153 2.766 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.384 -0.126 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.226 0.761 4.207 1.00 0.00 H new ATOM 0 HG LEU A 15 3.779 0.671 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.554 -0.909 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.135 -1.565 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.945 -0.821 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.845 1.538 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.254 1.604 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.597 2.657 4.402 1.00 0.00 H new ATOM 238 N GLY A 16 -1.057 1.923 5.915 1.00 0.00 N ATOM 239 CA GLY A 16 -2.390 2.384 5.545 1.00 0.00 C ATOM 240 C GLY A 16 -2.630 3.807 6.048 1.00 0.00 C ATOM 241 O GLY A 16 -3.073 4.677 5.305 1.00 0.00 O ATOM 0 H GLY A 16 -1.044 1.091 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.503 2.352 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.141 1.714 5.963 1.00 0.00 H new ATOM 245 N LYS A 17 -2.325 4.045 7.322 1.00 0.00 N ATOM 246 CA LYS A 17 -2.433 5.332 7.978 1.00 0.00 C ATOM 247 C LYS A 17 -1.645 6.386 7.206 1.00 0.00 C ATOM 248 O LYS A 17 -2.162 7.456 6.916 1.00 0.00 O ATOM 249 CB LYS A 17 -1.935 5.226 9.431 1.00 0.00 C ATOM 250 CG LYS A 17 -2.837 5.966 10.422 1.00 0.00 C ATOM 251 CD LYS A 17 -2.984 7.425 9.995 1.00 0.00 C ATOM 252 CE LYS A 17 -3.625 8.260 11.106 1.00 0.00 C ATOM 253 NZ LYS A 17 -3.815 9.658 10.683 1.00 0.00 N ATOM 0 H LYS A 17 -1.983 3.313 7.944 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.479 5.637 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.876 4.175 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.925 5.630 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.816 5.489 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.413 5.912 11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.005 7.835 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.593 7.484 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.587 7.827 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.996 8.229 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.251 10.199 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.893 10.077 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.435 9.687 9.848 1.00 0.00 H new ATOM 267 N PHE A 18 -0.394 6.080 6.875 1.00 0.00 N ATOM 268 CA PHE A 18 0.485 6.911 6.063 1.00 0.00 C ATOM 269 C PHE A 18 -0.165 7.222 4.718 1.00 0.00 C ATOM 270 O PHE A 18 -0.219 8.379 4.312 1.00 0.00 O ATOM 271 CB PHE A 18 1.847 6.218 5.903 1.00 0.00 C ATOM 272 CG PHE A 18 2.766 6.833 4.865 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.409 8.057 5.126 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.991 6.174 3.641 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.304 8.598 4.184 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.890 6.713 2.703 1.00 0.00 C ATOM 277 CZ PHE A 18 4.559 7.916 2.982 1.00 0.00 C ATOM 0 H PHE A 18 0.051 5.213 7.177 1.00 0.00 H new ATOM 0 HA PHE A 18 0.652 7.865 6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.356 6.226 6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.677 5.174 5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.216 8.582 6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.472 5.253 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.795 9.538 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.066 6.202 1.768 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.269 8.317 2.273 1.00 0.00 H new ATOM 287 N ALA A 19 -0.693 6.203 4.042 1.00 0.00 N ATOM 288 CA ALA A 19 -1.399 6.396 2.784 1.00 0.00 C ATOM 289 C ALA A 19 -2.557 7.377 2.968 1.00 0.00 C ATOM 290 O ALA A 19 -2.688 8.334 2.209 1.00 0.00 O ATOM 291 CB ALA A 19 -1.872 5.055 2.217 1.00 0.00 C ATOM 0 H ALA A 19 -0.643 5.232 4.349 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.712 6.830 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.397 5.222 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.011 4.410 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.545 4.576 2.928 1.00 0.00 H new ATOM 297 N VAL A 20 -3.382 7.151 3.989 1.00 0.00 N ATOM 298 CA VAL A 20 -4.503 8.020 4.322 1.00 0.00 C ATOM 299 C VAL A 20 -4.015 9.437 4.648 1.00 0.00 C ATOM 300 O VAL A 20 -4.613 10.412 4.204 1.00 0.00 O ATOM 301 CB VAL A 20 -5.332 7.399 5.464 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.356 8.378 6.056 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.091 6.181 4.929 1.00 0.00 C ATOM 0 H VAL A 20 -3.288 6.350 4.613 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.160 8.110 3.457 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.632 7.124 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.910 7.886 6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.837 9.249 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.049 8.695 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.679 5.737 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.755 6.491 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.380 5.446 4.552 1.00 0.00 H new ATOM 313 N ASP A 21 -2.927 9.563 5.407 1.00 0.00 N ATOM 314 CA ASP A 21 -2.353 10.837 5.795 1.00 0.00 C ATOM 315 C ASP A 21 -1.924 11.608 4.549 1.00 0.00 C ATOM 316 O ASP A 21 -2.310 12.756 4.365 1.00 0.00 O ATOM 317 CB ASP A 21 -1.187 10.599 6.761 1.00 0.00 C ATOM 318 CG ASP A 21 -0.434 11.894 7.046 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.937 12.667 7.889 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.627 12.088 6.413 1.00 0.00 O ATOM 0 H ASP A 21 -2.414 8.761 5.774 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.094 11.444 6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.564 10.182 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.504 9.864 6.336 1.00 0.00 H new ATOM 325 N GLU A 22 -1.148 10.958 3.681 1.00 0.00 N ATOM 326 CA GLU A 22 -0.681 11.505 2.418 1.00 0.00 C ATOM 327 C GLU A 22 -1.878 11.905 1.554 1.00 0.00 C ATOM 328 O GLU A 22 -1.914 12.998 0.993 1.00 0.00 O ATOM 329 CB GLU A 22 0.197 10.453 1.719 1.00 0.00 C ATOM 330 CG GLU A 22 0.892 10.987 0.458 1.00 0.00 C ATOM 331 CD GLU A 22 1.971 12.012 0.790 1.00 0.00 C ATOM 332 OE1 GLU A 22 3.103 11.565 1.075 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.647 13.219 0.755 1.00 0.00 O ATOM 0 H GLU A 22 -0.820 10.007 3.848 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.083 12.401 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.953 10.096 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.419 9.595 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.337 10.156 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.151 11.441 -0.200 1.00 0.00 H new ATOM 340 N GLU A 23 -2.871 11.016 1.453 1.00 0.00 N ATOM 341 CA GLU A 23 -4.076 11.274 0.687 1.00 0.00 C ATOM 342 C GLU A 23 -4.710 12.556 1.211 1.00 0.00 C ATOM 343 O GLU A 23 -4.887 13.503 0.456 1.00 0.00 O ATOM 344 CB GLU A 23 -5.020 10.063 0.769 1.00 0.00 C ATOM 345 CG GLU A 23 -6.058 10.054 -0.357 1.00 0.00 C ATOM 346 CD GLU A 23 -6.972 11.273 -0.330 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.736 11.390 0.651 1.00 0.00 O ATOM 348 OE2 GLU A 23 -6.890 12.068 -1.290 1.00 0.00 O ATOM 0 H GLU A 23 -2.854 10.101 1.903 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.848 11.415 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.434 9.145 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.532 10.069 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.544 10.012 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.663 9.151 -0.280 1.00 0.00 H new ATOM 355 N ASN A 24 -5.015 12.597 2.507 1.00 0.00 N ATOM 356 CA ASN A 24 -5.638 13.725 3.170 1.00 0.00 C ATOM 357 C ASN A 24 -4.808 14.993 2.986 1.00 0.00 C ATOM 358 O ASN A 24 -5.370 16.068 2.795 1.00 0.00 O ATOM 359 CB ASN A 24 -5.800 13.397 4.658 1.00 0.00 C ATOM 360 CG ASN A 24 -6.967 12.457 4.961 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.496 11.775 4.088 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.407 12.433 6.217 1.00 0.00 N ATOM 0 H ASN A 24 -4.827 11.818 3.138 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.617 13.908 2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.878 12.945 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.941 14.325 5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.198 11.840 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.953 13.007 6.927 1.00 0.00 H new ATOM 369 N LYS A 25 -3.476 14.875 3.035 1.00 0.00 N ATOM 370 CA LYS A 25 -2.575 15.999 2.822 1.00 0.00 C ATOM 371 C LYS A 25 -2.837 16.650 1.458 1.00 0.00 C ATOM 372 O LYS A 25 -2.780 17.872 1.339 1.00 0.00 O ATOM 373 CB LYS A 25 -1.119 15.529 2.967 1.00 0.00 C ATOM 374 CG LYS A 25 -0.130 16.687 3.132 1.00 0.00 C ATOM 375 CD LYS A 25 1.293 16.120 3.235 1.00 0.00 C ATOM 376 CE LYS A 25 2.340 17.215 3.465 1.00 0.00 C ATOM 377 NZ LYS A 25 2.182 17.860 4.782 1.00 0.00 N ATOM 0 H LYS A 25 -2.998 13.994 3.224 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.759 16.761 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.041 14.866 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.843 14.945 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.203 17.368 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.371 17.263 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.337 15.401 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.533 15.578 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.338 16.784 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.257 17.967 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.986 18.497 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.298 18.407 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.151 17.132 5.524 1.00 0.00 H new ATOM 391 N ILE A 26 -3.109 15.839 0.429 1.00 0.00 N ATOM 392 CA ILE A 26 -3.374 16.326 -0.920 1.00 0.00 C ATOM 393 C ILE A 26 -4.846 16.749 -1.053 1.00 0.00 C ATOM 394 O ILE A 26 -5.144 17.814 -1.588 1.00 0.00 O ATOM 395 CB ILE A 26 -2.972 15.253 -1.951 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.471 14.914 -1.830 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.272 15.760 -3.371 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.100 13.614 -2.550 1.00 0.00 C ATOM 0 H ILE A 26 -3.150 14.823 0.514 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.770 17.211 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.550 14.350 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.883 15.734 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.205 14.830 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.986 14.999 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.338 15.970 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.705 16.672 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.033 13.425 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.665 12.786 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.338 13.705 -3.610 1.00 0.00 H new ATOM 410 N GLY A 27 -5.767 15.898 -0.593 1.00 0.00 N ATOM 411 CA GLY A 27 -7.198 16.149 -0.539 1.00 0.00 C ATOM 412 C GLY A 27 -7.966 15.625 -1.754 1.00 0.00 C ATOM 413 O GLY A 27 -9.147 15.935 -1.899 1.00 0.00 O ATOM 0 H GLY A 27 -5.518 14.976 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.604 15.688 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.366 17.222 -0.451 1.00 0.00 H new ATOM 417 N GLN A 28 -7.340 14.818 -2.620 1.00 0.00 N ATOM 418 CA GLN A 28 -7.995 14.297 -3.823 1.00 0.00 C ATOM 419 C GLN A 28 -9.304 13.568 -3.496 1.00 0.00 C ATOM 420 O GLN A 28 -10.304 13.759 -4.184 1.00 0.00 O ATOM 421 CB GLN A 28 -7.044 13.391 -4.621 1.00 0.00 C ATOM 422 CG GLN A 28 -6.233 14.203 -5.638 1.00 0.00 C ATOM 423 CD GLN A 28 -5.359 13.300 -6.504 1.00 0.00 C ATOM 424 OE1 GLN A 28 -5.811 12.778 -7.516 1.00 0.00 O ATOM 425 NE2 GLN A 28 -4.100 13.106 -6.124 1.00 0.00 N ATOM 0 H GLN A 28 -6.374 14.511 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.251 15.154 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.367 12.878 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.618 12.622 -5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.911 14.773 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.606 14.924 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.748 13.552 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.486 12.511 -6.679 1.00 0.00 H new ATOM 434 N TYR A 29 -9.304 12.754 -2.439 1.00 0.00 N ATOM 435 CA TYR A 29 -10.505 12.108 -1.913 1.00 0.00 C ATOM 436 C TYR A 29 -10.921 12.766 -0.593 1.00 0.00 C ATOM 437 O TYR A 29 -11.396 12.103 0.328 1.00 0.00 O ATOM 438 CB TYR A 29 -10.273 10.604 -1.742 1.00 0.00 C ATOM 439 CG TYR A 29 -10.182 9.809 -3.029 1.00 0.00 C ATOM 440 CD1 TYR A 29 -8.936 9.568 -3.641 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.342 9.196 -3.537 1.00 0.00 C ATOM 442 CE1 TYR A 29 -8.854 8.683 -4.729 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.250 8.294 -4.611 1.00 0.00 C ATOM 444 CZ TYR A 29 -10.001 8.018 -5.193 1.00 0.00 C ATOM 445 OH TYR A 29 -9.902 7.059 -6.158 1.00 0.00 O ATOM 0 H TYR A 29 -8.458 12.523 -1.918 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.320 12.237 -2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.351 10.458 -1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.084 10.195 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.048 10.062 -3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.305 9.419 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.903 8.513 -5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.140 7.813 -4.989 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.749 6.570 -6.221 1.00 0.00 H new ATOM 455 N GLY A 30 -10.771 14.085 -0.508 1.00 0.00 N ATOM 456 CA GLY A 30 -11.138 14.848 0.668 1.00 0.00 C ATOM 457 C GLY A 30 -10.337 14.401 1.890 1.00 0.00 C ATOM 458 O GLY A 30 -9.131 14.185 1.803 1.00 0.00 O ATOM 0 H GLY A 30 -10.388 14.654 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.965 15.909 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.203 14.728 0.865 1.00 0.00 H new ATOM 462 N ARG A 31 -11.014 14.301 3.034 1.00 0.00 N ATOM 463 CA ARG A 31 -10.430 13.987 4.326 1.00 0.00 C ATOM 464 C ARG A 31 -10.979 12.643 4.802 1.00 0.00 C ATOM 465 O ARG A 31 -12.042 12.586 5.417 1.00 0.00 O ATOM 466 CB ARG A 31 -10.780 15.117 5.298 1.00 0.00 C ATOM 467 CG ARG A 31 -9.997 16.388 4.946 1.00 0.00 C ATOM 468 CD ARG A 31 -10.503 17.587 5.751 1.00 0.00 C ATOM 469 NE ARG A 31 -9.705 18.780 5.444 1.00 0.00 N ATOM 470 CZ ARG A 31 -10.066 20.044 5.709 1.00 0.00 C ATOM 471 NH1 ARG A 31 -11.225 20.306 6.323 1.00 0.00 N ATOM 472 NH2 ARG A 31 -9.256 21.046 5.353 1.00 0.00 N ATOM 0 H ARG A 31 -12.023 14.443 3.082 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.345 13.905 4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.850 15.320 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.550 14.811 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.937 16.233 5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.093 16.595 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.552 17.773 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.446 17.368 6.817 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.802 18.636 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.843 19.541 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.491 21.271 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.373 20.846 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.521 22.011 5.550 1.00 0.00 H new ATOM 486 N LEU A 32 -10.264 11.556 4.510 1.00 0.00 N ATOM 487 CA LEU A 32 -10.664 10.214 4.897 1.00 0.00 C ATOM 488 C LEU A 32 -10.322 9.982 6.369 1.00 0.00 C ATOM 489 O LEU A 32 -9.272 10.424 6.836 1.00 0.00 O ATOM 490 CB LEU A 32 -9.929 9.189 4.024 1.00 0.00 C ATOM 491 CG LEU A 32 -10.109 9.400 2.512 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.181 8.435 1.766 1.00 0.00 C ATOM 493 CD2 LEU A 32 -11.561 9.163 2.085 1.00 0.00 C ATOM 0 H LEU A 32 -9.385 11.589 3.994 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.739 10.100 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.865 9.225 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.280 8.190 4.284 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.857 10.432 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.299 8.574 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.147 8.635 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.436 7.408 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.655 9.320 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.850 8.141 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.213 9.859 2.612 1.00 0.00 H new ATOM 505 N THR A 33 -11.188 9.272 7.096 1.00 0.00 N ATOM 506 CA THR A 33 -10.952 8.866 8.473 1.00 0.00 C ATOM 507 C THR A 33 -10.586 7.379 8.479 1.00 0.00 C ATOM 508 O THR A 33 -11.422 6.520 8.203 1.00 0.00 O ATOM 509 CB THR A 33 -12.166 9.260 9.334 1.00 0.00 C ATOM 510 OG1 THR A 33 -11.851 9.175 10.708 1.00 0.00 O ATOM 511 CG2 THR A 33 -13.451 8.468 9.080 1.00 0.00 C ATOM 0 H THR A 33 -12.088 8.960 6.732 1.00 0.00 H new ATOM 0 HA THR A 33 -10.107 9.383 8.928 1.00 0.00 H new ATOM 0 HB THR A 33 -12.378 10.285 9.029 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.634 9.431 11.239 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.238 8.830 9.741 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.760 8.598 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.271 7.411 9.275 1.00 0.00 H new ATOM 519 N PHE A 34 -9.307 7.077 8.718 1.00 0.00 N ATOM 520 CA PHE A 34 -8.808 5.710 8.814 1.00 0.00 C ATOM 521 C PHE A 34 -9.534 4.970 9.929 1.00 0.00 C ATOM 522 O PHE A 34 -9.656 5.493 11.035 1.00 0.00 O ATOM 523 CB PHE A 34 -7.295 5.746 9.074 1.00 0.00 C ATOM 524 CG PHE A 34 -6.618 4.468 9.546 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.656 4.119 10.911 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.728 3.790 8.690 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.844 3.085 11.407 1.00 0.00 C ATOM 528 CE2 PHE A 34 -4.867 2.801 9.202 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.930 2.440 10.558 1.00 0.00 C ATOM 0 H PHE A 34 -8.585 7.785 8.851 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.994 5.180 7.880 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.806 6.062 8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.103 6.519 9.818 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.315 4.651 11.581 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.706 4.030 7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.923 2.786 12.442 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.155 2.318 8.549 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.279 1.670 10.946 1.00 0.00 H new ATOM 539 N ASN A 35 -9.974 3.746 9.639 1.00 0.00 N ATOM 540 CA ASN A 35 -10.467 2.828 10.659 1.00 0.00 C ATOM 541 C ASN A 35 -9.361 1.832 10.982 1.00 0.00 C ATOM 542 O ASN A 35 -8.863 1.795 12.105 1.00 0.00 O ATOM 543 CB ASN A 35 -11.735 2.102 10.199 1.00 0.00 C ATOM 544 CG ASN A 35 -12.887 3.061 9.942 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.228 3.331 8.796 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.513 3.575 10.998 1.00 0.00 N ATOM 0 H ASN A 35 -9.998 3.366 8.693 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.735 3.393 11.552 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.521 1.542 9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.031 1.377 10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.299 4.212 10.865 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.207 3.332 11.940 1.00 0.00 H new ATOM 553 N LYS A 36 -8.995 1.013 9.994 1.00 0.00 N ATOM 554 CA LYS A 36 -7.982 -0.025 10.120 1.00 0.00 C ATOM 555 C LYS A 36 -7.621 -0.538 8.724 1.00 0.00 C ATOM 556 O LYS A 36 -8.184 -0.074 7.733 1.00 0.00 O ATOM 557 CB LYS A 36 -8.465 -1.150 11.055 1.00 0.00 C ATOM 558 CG LYS A 36 -9.880 -1.642 10.726 1.00 0.00 C ATOM 559 CD LYS A 36 -10.221 -2.855 11.603 1.00 0.00 C ATOM 560 CE LYS A 36 -11.721 -3.167 11.579 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.217 -3.405 10.212 1.00 0.00 N ATOM 0 H LYS A 36 -9.408 1.058 9.062 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.081 0.386 10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.772 -1.989 10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.441 -0.793 12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.602 -0.843 10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.946 -1.913 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.663 -3.724 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.905 -2.663 12.629 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.918 -4.046 12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.270 -2.337 12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.199 -3.744 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.179 -2.518 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.623 -4.121 9.747 1.00 0.00 H new ATOM 575 N VAL A 37 -6.686 -1.486 8.648 1.00 0.00 N ATOM 576 CA VAL A 37 -6.163 -2.041 7.408 1.00 0.00 C ATOM 577 C VAL A 37 -6.301 -3.553 7.509 1.00 0.00 C ATOM 578 O VAL A 37 -5.990 -4.107 8.564 1.00 0.00 O ATOM 579 CB VAL A 37 -4.689 -1.639 7.242 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.222 -1.893 5.807 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.463 -0.162 7.565 1.00 0.00 C ATOM 0 H VAL A 37 -6.261 -1.899 9.478 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.708 -1.666 6.542 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.117 -2.248 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.176 -1.603 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.328 -2.952 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.828 -1.306 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.408 0.082 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.063 0.453 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.757 0.034 8.596 1.00 0.00 H new ATOM 591 N ILE A 38 -6.796 -4.210 6.458 1.00 0.00 N ATOM 592 CA ILE A 38 -7.094 -5.636 6.489 1.00 0.00 C ATOM 593 C ILE A 38 -6.836 -6.262 5.120 1.00 0.00 C ATOM 594 O ILE A 38 -6.637 -5.559 4.132 1.00 0.00 O ATOM 595 CB ILE A 38 -8.521 -5.931 7.008 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.667 -5.450 6.098 1.00 0.00 C ATOM 597 CG2 ILE A 38 -8.739 -5.453 8.452 1.00 0.00 C ATOM 598 CD1 ILE A 38 -9.648 -3.956 5.772 1.00 0.00 C ATOM 0 H ILE A 38 -7.000 -3.765 5.563 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.418 -6.102 7.206 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.570 -7.020 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.630 -6.011 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.616 -5.690 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.757 -5.686 8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.034 -5.957 9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.581 -4.376 8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.492 -3.714 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.720 -3.381 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.718 -3.707 5.261 1.00 0.00 H new ATOM 610 N ARG A 39 -6.817 -7.598 5.095 1.00 0.00 N ATOM 611 CA ARG A 39 -6.565 -8.396 3.905 1.00 0.00 C ATOM 612 C ARG A 39 -7.507 -8.015 2.751 1.00 0.00 C ATOM 613 O ARG A 39 -8.649 -7.631 3.003 1.00 0.00 O ATOM 614 CB ARG A 39 -6.707 -9.886 4.251 1.00 0.00 C ATOM 615 CG ARG A 39 -7.998 -10.207 5.024 1.00 0.00 C ATOM 616 CD ARG A 39 -8.526 -11.594 4.650 1.00 0.00 C ATOM 617 NE ARG A 39 -9.083 -11.586 3.290 1.00 0.00 N ATOM 618 CZ ARG A 39 -9.513 -12.670 2.630 1.00 0.00 C ATOM 619 NH1 ARG A 39 -9.421 -13.884 3.186 1.00 0.00 N ATOM 620 NH2 ARG A 39 -10.042 -12.532 1.410 1.00 0.00 N ATOM 0 H ARG A 39 -6.982 -8.164 5.928 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.549 -8.195 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.687 -10.470 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.848 -10.198 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.806 -10.163 6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.755 -9.454 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.720 -12.325 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.293 -11.901 5.361 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.147 -10.687 2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.021 -13.989 4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.751 -14.704 2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.116 -11.606 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.372 -13.352 0.901 1.00 0.00 H new ATOM 634 N PRO A 40 -7.085 -8.175 1.485 1.00 0.00 N ATOM 635 CA PRO A 40 -5.777 -8.659 1.062 1.00 0.00 C ATOM 636 C PRO A 40 -4.721 -7.557 1.200 1.00 0.00 C ATOM 637 O PRO A 40 -5.001 -6.384 0.958 1.00 0.00 O ATOM 638 CB PRO A 40 -5.965 -9.091 -0.395 1.00 0.00 C ATOM 639 CG PRO A 40 -7.084 -8.182 -0.902 1.00 0.00 C ATOM 640 CD PRO A 40 -7.951 -7.955 0.338 1.00 0.00 C ATOM 0 HA PRO A 40 -5.421 -9.486 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.050 -8.960 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.240 -10.143 -0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.692 -7.244 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.650 -8.652 -1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.360 -6.945 0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.797 -8.642 0.352 1.00 0.00 H new ATOM 648 N CYS A 41 -3.503 -7.935 1.602 1.00 0.00 N ATOM 649 CA CYS A 41 -2.384 -7.021 1.782 1.00 0.00 C ATOM 650 C CYS A 41 -1.189 -7.677 1.111 1.00 0.00 C ATOM 651 O CYS A 41 -0.644 -8.622 1.675 1.00 0.00 O ATOM 652 CB CYS A 41 -2.100 -6.806 3.275 1.00 0.00 C ATOM 653 SG CYS A 41 -3.477 -5.976 4.107 1.00 0.00 S ATOM 0 H CYS A 41 -3.269 -8.905 1.814 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.600 -6.044 1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.914 -7.768 3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.194 -6.212 3.391 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.588 -6.261 3.496 1.00 0.00 H new ATOM 659 N MET A 42 -0.826 -7.237 -0.098 1.00 0.00 N ATOM 660 CA MET A 42 0.147 -7.924 -0.940 1.00 0.00 C ATOM 661 C MET A 42 1.356 -7.025 -1.204 1.00 0.00 C ATOM 662 O MET A 42 1.194 -5.825 -1.428 1.00 0.00 O ATOM 663 CB MET A 42 -0.537 -8.385 -2.235 1.00 0.00 C ATOM 664 CG MET A 42 0.215 -9.560 -2.876 1.00 0.00 C ATOM 665 SD MET A 42 -0.356 -10.065 -4.521 1.00 0.00 S ATOM 666 CE MET A 42 -2.038 -10.614 -4.159 1.00 0.00 C ATOM 0 H MET A 42 -1.204 -6.388 -0.519 1.00 0.00 H new ATOM 0 HA MET A 42 0.523 -8.810 -0.428 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.564 -8.681 -2.021 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.585 -7.554 -2.939 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.270 -9.296 -2.944 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.144 -10.419 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.497 -11.004 -5.068 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.010 -11.398 -3.402 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.624 -9.773 -3.789 1.00 0.00 H new ATOM 676 N LYS A 43 2.561 -7.604 -1.163 1.00 0.00 N ATOM 677 CA LYS A 43 3.830 -6.905 -1.330 1.00 0.00 C ATOM 678 C LYS A 43 4.604 -7.494 -2.510 1.00 0.00 C ATOM 679 O LYS A 43 4.575 -8.711 -2.711 1.00 0.00 O ATOM 680 CB LYS A 43 4.639 -7.050 -0.035 1.00 0.00 C ATOM 681 CG LYS A 43 5.978 -6.297 -0.078 1.00 0.00 C ATOM 682 CD LYS A 43 6.813 -6.555 1.182 1.00 0.00 C ATOM 683 CE LYS A 43 7.450 -7.951 1.169 1.00 0.00 C ATOM 684 NZ LYS A 43 8.296 -8.160 2.356 1.00 0.00 N ATOM 0 H LYS A 43 2.678 -8.605 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 43 3.650 -5.850 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.046 -6.679 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.828 -8.107 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.542 -6.606 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.791 -5.228 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.595 -5.800 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.181 -6.452 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.668 -8.710 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.049 -8.072 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.714 -9.112 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.055 -7.449 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.718 -8.067 3.215 1.00 0.00 H new ATOM 698 N LYS A 44 5.330 -6.643 -3.252 1.00 0.00 N ATOM 699 CA LYS A 44 6.252 -7.073 -4.299 1.00 0.00 C ATOM 700 C LYS A 44 7.460 -6.132 -4.384 1.00 0.00 C ATOM 701 O LYS A 44 7.360 -4.951 -4.059 1.00 0.00 O ATOM 702 CB LYS A 44 5.492 -7.188 -5.624 1.00 0.00 C ATOM 703 CG LYS A 44 6.276 -7.865 -6.757 1.00 0.00 C ATOM 704 CD LYS A 44 6.462 -6.921 -7.948 1.00 0.00 C ATOM 705 CE LYS A 44 7.243 -7.638 -9.055 1.00 0.00 C ATOM 706 NZ LYS A 44 7.458 -6.762 -10.218 1.00 0.00 N ATOM 0 H LYS A 44 5.289 -5.630 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 44 6.654 -8.057 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.572 -7.747 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.201 -6.189 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.251 -8.184 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.749 -8.762 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.491 -6.598 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.996 -6.024 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.205 -7.970 -8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.699 -8.530 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.989 -7.278 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.539 -6.465 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.998 -5.923 -9.925 1.00 0.00 H new ATOM 720 N THR A 45 8.614 -6.669 -4.789 1.00 0.00 N ATOM 721 CA THR A 45 9.873 -5.955 -4.927 1.00 0.00 C ATOM 722 C THR A 45 9.930 -5.173 -6.244 1.00 0.00 C ATOM 723 O THR A 45 9.559 -5.701 -7.290 1.00 0.00 O ATOM 724 CB THR A 45 10.997 -6.996 -4.876 1.00 0.00 C ATOM 725 OG1 THR A 45 10.751 -7.898 -3.814 1.00 0.00 O ATOM 726 CG2 THR A 45 12.371 -6.354 -4.694 1.00 0.00 C ATOM 0 H THR A 45 8.693 -7.655 -5.039 1.00 0.00 H new ATOM 0 HA THR A 45 9.978 -5.228 -4.122 1.00 0.00 H new ATOM 0 HB THR A 45 11.006 -7.523 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.467 -8.566 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.135 -7.131 -4.664 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.571 -5.681 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.389 -5.791 -3.761 1.00 0.00 H new ATOM 734 N ILE A 46 10.435 -3.937 -6.198 1.00 0.00 N ATOM 735 CA ILE A 46 10.752 -3.123 -7.367 1.00 0.00 C ATOM 736 C ILE A 46 12.271 -3.158 -7.581 1.00 0.00 C ATOM 737 O ILE A 46 13.058 -2.787 -6.706 1.00 0.00 O ATOM 738 CB ILE A 46 10.155 -1.710 -7.218 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.772 -1.591 -7.887 1.00 0.00 C ATOM 740 CG2 ILE A 46 11.040 -0.593 -7.793 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.737 -2.581 -7.352 1.00 0.00 C ATOM 0 H ILE A 46 10.639 -3.464 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 46 10.293 -3.524 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 46 10.077 -1.576 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.397 -0.577 -7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.884 -1.743 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.550 0.370 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.002 -0.591 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.197 -0.765 -8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.790 -2.434 -7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.088 -3.600 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.593 -2.416 -6.284 1.00 0.00 H new ATOM 753 N TYR A 47 12.695 -3.632 -8.751 1.00 0.00 N ATOM 754 CA TYR A 47 14.091 -3.723 -9.127 1.00 0.00 C ATOM 755 C TYR A 47 14.223 -3.499 -10.626 1.00 0.00 C ATOM 756 O TYR A 47 13.220 -3.526 -11.339 1.00 0.00 O ATOM 757 CB TYR A 47 14.642 -5.080 -8.690 1.00 0.00 C ATOM 758 CG TYR A 47 14.162 -6.296 -9.443 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.904 -6.854 -9.152 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.068 -7.002 -10.255 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.542 -8.089 -9.709 1.00 0.00 C ATOM 762 CE2 TYR A 47 14.707 -8.238 -10.809 1.00 0.00 C ATOM 763 CZ TYR A 47 13.433 -8.774 -10.553 1.00 0.00 C ATOM 764 OH TYR A 47 13.069 -9.969 -11.095 1.00 0.00 O ATOM 0 H TYR A 47 12.059 -3.969 -9.474 1.00 0.00 H new ATOM 0 HA TYR A 47 14.678 -2.953 -8.627 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.729 -5.043 -8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.401 -5.219 -7.636 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.218 -6.332 -8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.046 -6.590 -10.453 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.575 -8.516 -9.489 1.00 0.00 H new ATOM 0 HE2 TYR A 47 15.406 -8.777 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 47 13.798 -10.310 -11.655 1.00 0.00 H new ATOM 774 N GLU A 48 15.453 -3.250 -11.079 1.00 0.00 N ATOM 775 CA GLU A 48 15.753 -2.985 -12.477 1.00 0.00 C ATOM 776 C GLU A 48 16.264 -4.279 -13.126 1.00 0.00 C ATOM 777 O GLU A 48 15.899 -5.373 -12.706 1.00 0.00 O ATOM 778 CB GLU A 48 16.731 -1.795 -12.566 1.00 0.00 C ATOM 779 CG GLU A 48 16.522 -0.927 -13.821 1.00 0.00 C ATOM 780 CD GLU A 48 15.201 -0.160 -13.777 1.00 0.00 C ATOM 781 OE1 GLU A 48 15.089 0.731 -12.907 1.00 0.00 O ATOM 782 OE2 GLU A 48 14.329 -0.484 -14.613 1.00 0.00 O ATOM 0 H GLU A 48 16.274 -3.228 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 48 14.866 -2.689 -13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.616 -1.172 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.753 -2.173 -12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.347 -0.221 -13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.543 -1.561 -14.707 1.00 0.00 H new ATOM 789 N ASN A 49 17.113 -4.160 -14.145 1.00 0.00 N ATOM 790 CA ASN A 49 17.656 -5.284 -14.898 1.00 0.00 C ATOM 791 C ASN A 49 18.785 -4.789 -15.796 1.00 0.00 C ATOM 792 O ASN A 49 19.893 -5.318 -15.764 1.00 0.00 O ATOM 793 CB ASN A 49 16.559 -5.938 -15.747 1.00 0.00 C ATOM 794 CG ASN A 49 17.118 -7.096 -16.570 1.00 0.00 C ATOM 795 OD1 ASN A 49 17.806 -7.963 -16.044 1.00 0.00 O ATOM 796 ND2 ASN A 49 16.835 -7.125 -17.869 1.00 0.00 N ATOM 0 H ASN A 49 17.449 -3.256 -14.476 1.00 0.00 H new ATOM 0 HA ASN A 49 18.043 -6.028 -14.202 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.761 -6.300 -15.099 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.118 -5.195 -16.412 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.193 -7.881 -18.452 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.260 -6.391 -18.282 1.00 0.00 H new ATOM 803 N GLU A 50 18.485 -3.759 -16.595 1.00 0.00 N ATOM 804 CA GLU A 50 19.467 -3.100 -17.442 1.00 0.00 C ATOM 805 C GLU A 50 20.665 -2.655 -16.593 1.00 0.00 C ATOM 806 O GLU A 50 20.511 -2.278 -15.430 1.00 0.00 O ATOM 807 CB GLU A 50 18.802 -1.924 -18.174 1.00 0.00 C ATOM 808 CG GLU A 50 19.705 -1.322 -19.260 1.00 0.00 C ATOM 809 CD GLU A 50 18.984 -0.219 -20.029 1.00 0.00 C ATOM 810 OE1 GLU A 50 18.135 -0.581 -20.873 1.00 0.00 O ATOM 811 OE2 GLU A 50 19.290 0.961 -19.754 1.00 0.00 O ATOM 0 H GLU A 50 17.548 -3.362 -16.668 1.00 0.00 H new ATOM 0 HA GLU A 50 19.842 -3.790 -18.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.870 -2.262 -18.627 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.543 -1.150 -17.451 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.609 -0.919 -18.803 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.019 -2.105 -19.951 1.00 0.00 H new ATOM 818 N GLY A 51 21.865 -2.728 -17.168 1.00 0.00 N ATOM 819 CA GLY A 51 23.093 -2.505 -16.429 1.00 0.00 C ATOM 820 C GLY A 51 23.406 -3.743 -15.596 1.00 0.00 C ATOM 821 O GLY A 51 24.211 -4.573 -16.009 1.00 0.00 O ATOM 0 H GLY A 51 22.006 -2.943 -18.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.913 -2.297 -17.116 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.990 -1.633 -15.783 1.00 0.00 H new ATOM 825 N PHE A 52 22.756 -3.855 -14.439 1.00 0.00 N ATOM 826 CA PHE A 52 22.905 -4.968 -13.511 1.00 0.00 C ATOM 827 C PHE A 52 21.595 -5.161 -12.753 1.00 0.00 C ATOM 828 O PHE A 52 20.867 -4.202 -12.502 1.00 0.00 O ATOM 829 CB PHE A 52 24.043 -4.698 -12.510 1.00 0.00 C ATOM 830 CG PHE A 52 25.431 -5.073 -12.997 1.00 0.00 C ATOM 831 CD1 PHE A 52 26.210 -4.148 -13.717 1.00 0.00 C ATOM 832 CD2 PHE A 52 25.951 -6.354 -12.723 1.00 0.00 C ATOM 833 CE1 PHE A 52 27.480 -4.513 -14.196 1.00 0.00 C ATOM 834 CE2 PHE A 52 27.230 -6.711 -13.182 1.00 0.00 C ATOM 835 CZ PHE A 52 27.992 -5.795 -13.927 1.00 0.00 C ATOM 0 H PHE A 52 22.092 -3.152 -14.114 1.00 0.00 H new ATOM 0 HA PHE A 52 23.150 -5.868 -14.075 1.00 0.00 H new ATOM 0 HB2 PHE A 52 24.038 -3.638 -12.255 1.00 0.00 H new ATOM 0 HB3 PHE A 52 23.836 -5.247 -11.592 1.00 0.00 H new ATOM 0 HD1 PHE A 52 25.830 -3.154 -13.902 1.00 0.00 H new ATOM 0 HD2 PHE A 52 25.364 -7.064 -12.158 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.063 -3.809 -14.771 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.628 -7.691 -12.962 1.00 0.00 H new ATOM 0 HZ PHE A 52 28.969 -6.075 -14.292 1.00 0.00 H new ATOM 845 N ARG A 53 21.327 -6.404 -12.348 1.00 0.00 N ATOM 846 CA ARG A 53 20.255 -6.717 -11.418 1.00 0.00 C ATOM 847 C ARG A 53 20.589 -6.097 -10.057 1.00 0.00 C ATOM 848 O ARG A 53 21.673 -6.335 -9.528 1.00 0.00 O ATOM 849 CB ARG A 53 20.057 -8.244 -11.343 1.00 0.00 C ATOM 850 CG ARG A 53 21.278 -9.041 -10.844 1.00 0.00 C ATOM 851 CD ARG A 53 21.146 -9.459 -9.372 1.00 0.00 C ATOM 852 NE ARG A 53 22.424 -9.949 -8.833 1.00 0.00 N ATOM 853 CZ ARG A 53 22.940 -11.174 -9.017 1.00 0.00 C ATOM 854 NH1 ARG A 53 22.299 -12.077 -9.766 1.00 0.00 N ATOM 855 NH2 ARG A 53 24.107 -11.487 -8.443 1.00 0.00 N ATOM 0 H ARG A 53 21.853 -7.220 -12.660 1.00 0.00 H new ATOM 0 HA ARG A 53 19.310 -6.294 -11.757 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.213 -8.453 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.786 -8.608 -12.334 1.00 0.00 H new ATOM 0 HG2 ARG A 53 21.404 -9.931 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 53 22.177 -8.437 -10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.803 -8.610 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.389 -10.238 -9.281 1.00 0.00 H new ATOM 0 HE ARG A 53 22.968 -9.298 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.409 -11.837 -10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 53 22.700 -13.005 -9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 53 24.596 -10.797 -7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.508 -12.415 -8.576 1.00 0.00 H new ATOM 869 N GLU A 54 19.676 -5.305 -9.486 1.00 0.00 N ATOM 870 CA GLU A 54 19.777 -4.814 -8.123 1.00 0.00 C ATOM 871 C GLU A 54 18.407 -4.286 -7.699 1.00 0.00 C ATOM 872 O GLU A 54 17.705 -3.681 -8.512 1.00 0.00 O ATOM 873 CB GLU A 54 20.870 -3.737 -7.993 1.00 0.00 C ATOM 874 CG GLU A 54 21.445 -3.716 -6.569 1.00 0.00 C ATOM 875 CD GLU A 54 22.542 -2.665 -6.408 1.00 0.00 C ATOM 876 OE1 GLU A 54 23.450 -2.650 -7.267 1.00 0.00 O ATOM 877 OE2 GLU A 54 22.456 -1.901 -5.422 1.00 0.00 O ATOM 0 H GLU A 54 18.837 -4.987 -9.971 1.00 0.00 H new ATOM 0 HA GLU A 54 20.072 -5.627 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.668 -3.933 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.455 -2.759 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.644 -3.515 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.847 -4.700 -6.326 1.00 0.00 H new ATOM 884 N ILE A 55 18.021 -4.550 -6.448 1.00 0.00 N ATOM 885 CA ILE A 55 16.754 -4.110 -5.882 1.00 0.00 C ATOM 886 C ILE A 55 16.838 -2.618 -5.588 1.00 0.00 C ATOM 887 O ILE A 55 17.832 -2.164 -5.023 1.00 0.00 O ATOM 888 CB ILE A 55 16.395 -4.953 -4.643 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.136 -6.409 -5.082 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.161 -4.368 -3.936 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.049 -7.392 -3.911 1.00 0.00 C ATOM 0 H ILE A 55 18.593 -5.084 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 55 15.943 -4.263 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 55 17.224 -4.935 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.207 -6.449 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.934 -6.725 -5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.920 -4.975 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.373 -3.346 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.314 -4.368 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.866 -8.397 -4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.987 -7.380 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.233 -7.100 -3.251 1.00 0.00 H new ATOM 903 N LYS A 56 15.806 -1.866 -5.986 1.00 0.00 N ATOM 904 CA LYS A 56 15.784 -0.415 -5.850 1.00 0.00 C ATOM 905 C LYS A 56 14.621 0.039 -4.969 1.00 0.00 C ATOM 906 O LYS A 56 14.673 1.131 -4.404 1.00 0.00 O ATOM 907 CB LYS A 56 15.754 0.232 -7.243 1.00 0.00 C ATOM 908 CG LYS A 56 16.413 1.620 -7.210 1.00 0.00 C ATOM 909 CD LYS A 56 16.507 2.254 -8.606 1.00 0.00 C ATOM 910 CE LYS A 56 15.161 2.758 -9.141 1.00 0.00 C ATOM 911 NZ LYS A 56 14.627 3.865 -8.325 1.00 0.00 N ATOM 0 H LYS A 56 14.963 -2.252 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 56 16.693 -0.086 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.274 -0.406 -7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.723 0.321 -7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.841 2.276 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 56 17.413 1.535 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 56 17.210 3.086 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 56 16.914 1.521 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.281 3.091 -10.172 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.444 1.937 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.853 4.333 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.268 3.490 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.383 4.553 -8.136 1.00 0.00 H new ATOM 925 N GLY A 57 13.570 -0.771 -4.823 1.00 0.00 N ATOM 926 CA GLY A 57 12.417 -0.389 -4.035 1.00 0.00 C ATOM 927 C GLY A 57 11.475 -1.564 -3.822 1.00 0.00 C ATOM 928 O GLY A 57 11.822 -2.712 -4.102 1.00 0.00 O ATOM 0 H GLY A 57 13.503 -1.697 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.746 -0.005 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.885 0.420 -4.535 1.00 0.00 H new ATOM 932 N TYR A 58 10.272 -1.275 -3.328 1.00 0.00 N ATOM 933 CA TYR A 58 9.212 -2.234 -3.088 1.00 0.00 C ATOM 934 C TYR A 58 7.884 -1.516 -3.289 1.00 0.00 C ATOM 935 O TYR A 58 7.847 -0.284 -3.265 1.00 0.00 O ATOM 936 CB TYR A 58 9.291 -2.770 -1.652 1.00 0.00 C ATOM 937 CG TYR A 58 10.683 -3.133 -1.164 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.189 -4.430 -1.361 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.524 -2.129 -0.646 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.540 -4.707 -1.086 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.878 -2.400 -0.394 1.00 0.00 C ATOM 942 CZ TYR A 58 13.391 -3.685 -0.634 1.00 0.00 C ATOM 943 OH TYR A 58 14.715 -3.946 -0.434 1.00 0.00 O ATOM 0 H TYR A 58 10.005 -0.323 -3.076 1.00 0.00 H new ATOM 0 HA TYR A 58 9.308 -3.076 -3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.873 -2.020 -0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.657 -3.654 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.540 -5.214 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.125 -1.146 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 58 12.924 -5.707 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.524 -1.622 -0.016 1.00 0.00 H new ATOM 0 HH TYR A 58 15.168 -3.129 -0.137 1.00 0.00 H new ATOM 953 N GLU A 59 6.805 -2.282 -3.445 1.00 0.00 N ATOM 954 CA GLU A 59 5.440 -1.798 -3.421 1.00 0.00 C ATOM 955 C GLU A 59 4.619 -2.675 -2.479 1.00 0.00 C ATOM 956 O GLU A 59 4.906 -3.869 -2.341 1.00 0.00 O ATOM 957 CB GLU A 59 4.858 -1.756 -4.838 1.00 0.00 C ATOM 958 CG GLU A 59 4.464 -3.141 -5.366 1.00 0.00 C ATOM 959 CD GLU A 59 4.169 -3.123 -6.863 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.422 -2.216 -7.286 1.00 0.00 O ATOM 961 OE2 GLU A 59 4.698 -4.018 -7.558 1.00 0.00 O ATOM 0 H GLU A 59 6.867 -3.289 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 59 5.411 -0.775 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.982 -1.108 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.590 -1.311 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.269 -3.848 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.585 -3.497 -4.828 1.00 0.00 H new ATOM 968 N TYR A 60 3.613 -2.074 -1.843 1.00 0.00 N ATOM 969 CA TYR A 60 2.690 -2.711 -0.923 1.00 0.00 C ATOM 970 C TYR A 60 1.297 -2.232 -1.317 1.00 0.00 C ATOM 971 O TYR A 60 1.049 -1.033 -1.207 1.00 0.00 O ATOM 972 CB TYR A 60 2.996 -2.259 0.512 1.00 0.00 C ATOM 973 CG TYR A 60 4.438 -2.390 0.966 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.369 -1.378 0.657 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.818 -3.448 1.811 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.679 -1.444 1.160 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.123 -3.499 2.331 1.00 0.00 C ATOM 978 CZ TYR A 60 7.056 -2.505 1.997 1.00 0.00 C ATOM 979 OH TYR A 60 8.291 -2.538 2.570 1.00 0.00 O ATOM 0 H TYR A 60 3.416 -1.081 -1.966 1.00 0.00 H new ATOM 0 HA TYR A 60 2.771 -3.797 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.699 -1.215 0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.369 -2.835 1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.074 -0.549 0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.107 -4.222 2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.396 -0.678 0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.409 -4.306 2.990 1.00 0.00 H new ATOM 0 HH TYR A 60 8.740 -1.678 2.430 1.00 0.00 H new ATOM 989 N GLN A 61 0.407 -3.119 -1.772 1.00 0.00 N ATOM 990 CA GLN A 61 -0.989 -2.773 -2.021 1.00 0.00 C ATOM 991 C GLN A 61 -1.863 -3.408 -0.948 1.00 0.00 C ATOM 992 O GLN A 61 -1.728 -4.601 -0.665 1.00 0.00 O ATOM 993 CB GLN A 61 -1.455 -3.160 -3.429 1.00 0.00 C ATOM 994 CG GLN A 61 -2.727 -2.358 -3.777 1.00 0.00 C ATOM 995 CD GLN A 61 -3.455 -2.892 -5.005 1.00 0.00 C ATOM 996 OE1 GLN A 61 -3.431 -4.093 -5.259 1.00 0.00 O ATOM 997 NE2 GLN A 61 -4.170 -2.040 -5.742 1.00 0.00 N ATOM 0 H GLN A 61 0.636 -4.092 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.083 -1.688 -1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.669 -2.953 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.660 -4.230 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.405 -2.376 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.457 -1.316 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.175 -1.046 -5.512 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.712 -2.382 -6.535 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.733 -2.605 -0.332 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.521 -3.031 0.806 1.00 0.00 C ATOM 1008 C LEU A 62 -4.872 -2.317 0.853 1.00 0.00 C ATOM 1009 O LEU A 62 -5.037 -1.212 0.330 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.698 -2.918 2.102 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.810 -1.666 2.242 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.637 -0.395 2.460 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.854 -1.863 3.423 1.00 0.00 C ATOM 0 H LEU A 62 -2.905 -1.640 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.768 -4.087 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.386 -2.945 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.061 -3.799 2.180 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.254 -1.540 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.970 0.462 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.304 -0.245 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.227 -0.496 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.221 -0.982 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.430 -2.009 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.230 -2.738 3.244 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.852 -2.998 1.451 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.205 -2.516 1.667 1.00 0.00 C ATOM 1027 C TYR A 63 -7.213 -1.792 3.014 1.00 0.00 C ATOM 1028 O TYR A 63 -7.064 -2.412 4.070 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.170 -3.716 1.551 1.00 0.00 C ATOM 1030 CG TYR A 63 -9.556 -3.666 2.176 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -10.162 -2.464 2.588 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -10.307 -4.854 2.217 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -11.438 -2.481 3.174 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -11.599 -4.866 2.763 1.00 0.00 C ATOM 1035 CZ TYR A 63 -12.125 -3.694 3.333 1.00 0.00 C ATOM 1036 OH TYR A 63 -13.361 -3.706 3.905 1.00 0.00 O ATOM 0 H TYR A 63 -5.711 -3.942 1.811 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.546 -1.796 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.305 -3.916 0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.659 -4.580 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.644 -1.526 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.885 -5.767 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.892 -1.558 3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -12.187 -5.772 2.745 1.00 0.00 H new ATOM 0 HH TYR A 63 -13.299 -3.374 4.825 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.382 -0.468 2.956 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.641 0.377 4.102 1.00 0.00 C ATOM 1048 C VAL A 64 -9.158 0.520 4.228 1.00 0.00 C ATOM 1049 O VAL A 64 -9.844 0.929 3.288 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.956 1.745 3.939 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -7.101 2.548 5.237 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.466 1.598 3.606 1.00 0.00 C ATOM 0 H VAL A 64 -7.339 0.051 2.079 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.231 -0.067 5.009 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.441 2.264 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.616 3.517 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.158 2.696 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.632 2.003 6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.018 2.586 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.965 1.058 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.354 1.046 2.673 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.694 0.172 5.392 1.00 0.00 N ATOM 1063 CA TYR A 65 -11.073 0.458 5.727 1.00 0.00 C ATOM 1064 C TYR A 65 -11.053 1.895 6.261 1.00 0.00 C ATOM 1065 O TYR A 65 -10.368 2.175 7.252 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.551 -0.567 6.774 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.931 -1.162 6.557 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.973 -0.397 6.002 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.176 -2.496 6.938 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -15.229 -0.981 5.771 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.456 -3.054 6.777 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.481 -2.298 6.187 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.729 -2.828 6.056 1.00 0.00 O ATOM 0 H TYR A 65 -9.180 -0.316 6.126 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.764 0.379 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.829 -1.383 6.808 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.536 -0.088 7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.807 0.641 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.378 -3.092 7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.003 -0.416 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.651 -4.064 7.107 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.730 -3.749 6.391 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.730 2.818 5.574 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.729 4.233 5.919 1.00 0.00 C ATOM 1085 C ALA A 66 -13.157 4.754 5.831 1.00 0.00 C ATOM 1086 O ALA A 66 -13.851 4.461 4.864 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.801 5.001 4.974 1.00 0.00 C ATOM 0 H ALA A 66 -12.298 2.598 4.756 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.359 4.375 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.806 6.058 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.787 4.610 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.148 4.882 3.948 1.00 0.00 H new ATOM 1093 N SER A 67 -13.616 5.489 6.846 1.00 0.00 N ATOM 1094 CA SER A 67 -14.997 5.953 6.959 1.00 0.00 C ATOM 1095 C SER A 67 -15.998 4.792 6.845 1.00 0.00 C ATOM 1096 O SER A 67 -17.081 4.967 6.285 1.00 0.00 O ATOM 1097 CB SER A 67 -15.276 7.031 5.898 1.00 0.00 C ATOM 1098 OG SER A 67 -16.536 7.626 6.134 1.00 0.00 O ATOM 0 H SER A 67 -13.027 5.783 7.625 1.00 0.00 H new ATOM 0 HA SER A 67 -15.129 6.390 7.949 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.495 7.791 5.925 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.255 6.588 4.903 1.00 0.00 H new ATOM 0 HG SER A 67 -17.204 6.926 6.291 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.629 3.614 7.361 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.335 2.353 7.162 1.00 0.00 C ATOM 1106 C ASP A 68 -16.684 2.144 5.683 1.00 0.00 C ATOM 1107 O ASP A 68 -17.776 1.697 5.339 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.556 2.253 8.090 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.221 0.876 8.043 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.486 -0.118 7.844 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.457 0.837 8.227 1.00 0.00 O ATOM 0 H ASP A 68 -14.801 3.514 7.948 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.671 1.534 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.248 2.469 9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.284 3.014 7.809 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.728 2.451 4.805 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.839 2.317 3.368 1.00 0.00 C ATOM 1118 C LYS A 69 -14.522 1.739 2.845 1.00 0.00 C ATOM 1119 O LYS A 69 -13.477 1.863 3.488 1.00 0.00 O ATOM 1120 CB LYS A 69 -16.140 3.698 2.765 1.00 0.00 C ATOM 1121 CG LYS A 69 -17.137 3.657 1.599 1.00 0.00 C ATOM 1122 CD LYS A 69 -18.567 3.453 2.125 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.594 3.400 0.988 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.666 4.674 0.250 1.00 0.00 N ATOM 0 H LYS A 69 -14.821 2.814 5.097 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.650 1.646 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.534 4.348 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.208 4.145 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.080 4.585 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.875 2.849 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.614 2.528 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.822 4.264 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.332 2.596 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.576 3.162 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.462 4.643 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.807 5.456 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.780 4.822 -0.274 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.581 1.078 1.690 1.00 0.00 N ATOM 1139 CA LEU A 70 -13.456 0.360 1.118 1.00 0.00 C ATOM 1140 C LEU A 70 -12.559 1.367 0.388 1.00 0.00 C ATOM 1141 O LEU A 70 -13.017 2.000 -0.566 1.00 0.00 O ATOM 1142 CB LEU A 70 -14.027 -0.689 0.142 1.00 0.00 C ATOM 1143 CG LEU A 70 -13.128 -1.876 -0.257 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.622 -1.596 -0.200 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -13.548 -3.097 0.557 1.00 0.00 C ATOM 0 H LEU A 70 -15.426 1.029 1.121 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.859 -0.142 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.937 -1.094 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.319 -0.170 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.287 -2.071 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.074 -2.490 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.378 -0.778 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.341 -1.320 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.922 -3.947 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.432 -2.883 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.591 -3.333 0.346 1.00 0.00 H new ATOM 1157 N PHE A 71 -11.302 1.518 0.825 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.314 2.395 0.208 1.00 0.00 C ATOM 1159 C PHE A 71 -9.019 1.597 -0.017 1.00 0.00 C ATOM 1160 O PHE A 71 -8.366 1.183 0.936 1.00 0.00 O ATOM 1161 CB PHE A 71 -10.129 3.630 1.109 1.00 0.00 C ATOM 1162 CG PHE A 71 -11.077 4.772 0.768 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -12.427 4.715 1.163 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.644 5.838 -0.046 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -13.340 5.681 0.701 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.556 6.797 -0.511 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.908 6.716 -0.144 1.00 0.00 C ATOM 0 H PHE A 71 -10.941 1.019 1.638 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.637 2.756 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.281 3.339 2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.101 3.983 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -12.763 3.928 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.601 5.917 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.377 5.626 0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.218 7.598 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.614 7.447 -0.510 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.648 1.343 -1.276 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.499 0.516 -1.631 1.00 0.00 C ATOM 1179 C ARG A 72 -6.309 1.439 -1.910 1.00 0.00 C ATOM 1180 O ARG A 72 -6.462 2.403 -2.654 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.889 -0.305 -2.869 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.836 -1.303 -3.363 1.00 0.00 C ATOM 1183 CD ARG A 72 -6.821 -2.565 -2.503 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.871 -3.543 -3.043 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.297 -4.519 -2.328 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -5.721 -4.760 -1.084 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.303 -5.234 -2.866 1.00 0.00 N ATOM 0 H ARG A 72 -9.147 1.713 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.215 -0.166 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.805 -0.852 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.119 0.384 -3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.042 -1.569 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.852 -0.836 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.548 -2.311 -1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.820 -3.000 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.631 -3.475 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.477 -4.202 -0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.289 -5.502 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.987 -5.034 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.861 -5.979 -2.327 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.134 1.179 -1.333 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.963 2.036 -1.518 1.00 0.00 C ATOM 1203 C ALA A 73 -2.747 1.194 -1.880 1.00 0.00 C ATOM 1204 O ALA A 73 -2.592 0.094 -1.346 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.704 2.828 -0.235 1.00 0.00 C ATOM 0 H ALA A 73 -4.969 0.374 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.151 2.733 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.832 3.467 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.573 3.445 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.522 2.137 0.589 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.896 1.719 -2.771 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.578 1.178 -3.060 1.00 0.00 C ATOM 1213 C ASP A 74 0.464 2.174 -2.580 1.00 0.00 C ATOM 1214 O ASP A 74 0.482 3.314 -3.047 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.396 0.887 -4.550 1.00 0.00 C ATOM 1216 CG ASP A 74 0.914 0.142 -4.808 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.981 0.756 -4.590 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.826 -1.036 -5.215 1.00 0.00 O ATOM 0 H ASP A 74 -2.118 2.550 -3.319 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.463 0.228 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.234 0.292 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.403 1.822 -5.110 1.00 0.00 H new ATOM 1223 N ILE A 75 1.331 1.741 -1.665 1.00 0.00 N ATOM 1224 CA ILE A 75 2.458 2.523 -1.199 1.00 0.00 C ATOM 1225 C ILE A 75 3.696 1.947 -1.874 1.00 0.00 C ATOM 1226 O ILE A 75 3.813 0.729 -1.999 1.00 0.00 O ATOM 1227 CB ILE A 75 2.575 2.484 0.335 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.279 2.934 1.039 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.721 3.418 0.759 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.263 1.799 1.228 1.00 0.00 C ATOM 0 H ILE A 75 1.262 0.823 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 75 2.334 3.575 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 75 2.766 1.452 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.530 3.353 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.817 3.732 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.819 3.404 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.653 3.080 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.504 4.434 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.625 2.185 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.016 1.395 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.708 1.010 1.834 1.00 0.00 H new ATOM 1242 N SER A 76 4.608 2.822 -2.296 1.00 0.00 N ATOM 1243 CA SER A 76 5.896 2.462 -2.860 1.00 0.00 C ATOM 1244 C SER A 76 6.980 2.881 -1.872 1.00 0.00 C ATOM 1245 O SER A 76 6.792 3.869 -1.164 1.00 0.00 O ATOM 1246 CB SER A 76 6.070 3.128 -4.228 1.00 0.00 C ATOM 1247 OG SER A 76 5.849 4.527 -4.177 1.00 0.00 O ATOM 0 H SER A 76 4.461 3.830 -2.251 1.00 0.00 H new ATOM 0 HA SER A 76 5.967 1.386 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.077 2.935 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.377 2.679 -4.939 1.00 0.00 H new ATOM 0 HG SER A 76 5.416 4.759 -3.329 1.00 0.00 H new ATOM 1253 N GLU A 77 8.080 2.127 -1.820 1.00 0.00 N ATOM 1254 CA GLU A 77 9.264 2.399 -1.019 1.00 0.00 C ATOM 1255 C GLU A 77 10.471 2.368 -1.947 1.00 0.00 C ATOM 1256 O GLU A 77 10.579 1.439 -2.744 1.00 0.00 O ATOM 1257 CB GLU A 77 9.383 1.343 0.086 1.00 0.00 C ATOM 1258 CG GLU A 77 10.689 1.470 0.889 1.00 0.00 C ATOM 1259 CD GLU A 77 10.735 0.521 2.084 1.00 0.00 C ATOM 1260 OE1 GLU A 77 9.900 -0.410 2.112 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.623 0.735 2.938 1.00 0.00 O ATOM 0 H GLU A 77 8.168 1.269 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 77 9.202 3.376 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.534 1.435 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.330 0.349 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.536 1.266 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.798 2.496 1.240 1.00 0.00 H new ATOM 1268 N ASP A 78 11.369 3.352 -1.832 1.00 0.00 N ATOM 1269 CA ASP A 78 12.631 3.405 -2.554 1.00 0.00 C ATOM 1270 C ASP A 78 13.771 3.113 -1.578 1.00 0.00 C ATOM 1271 O ASP A 78 14.044 3.899 -0.666 1.00 0.00 O ATOM 1272 CB ASP A 78 12.821 4.771 -3.219 1.00 0.00 C ATOM 1273 CG ASP A 78 13.916 4.713 -4.284 1.00 0.00 C ATOM 1274 OD1 ASP A 78 14.970 4.111 -3.988 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.676 5.256 -5.384 1.00 0.00 O ATOM 0 H ASP A 78 11.228 4.152 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 78 12.628 2.655 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.884 5.092 -3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.081 5.514 -2.465 1.00 0.00 H new ATOM 1280 N TYR A 79 14.454 1.991 -1.793 1.00 0.00 N ATOM 1281 CA TYR A 79 15.558 1.526 -0.975 1.00 0.00 C ATOM 1282 C TYR A 79 16.709 2.537 -0.964 1.00 0.00 C ATOM 1283 O TYR A 79 17.434 2.622 0.024 1.00 0.00 O ATOM 1284 CB TYR A 79 16.011 0.156 -1.498 1.00 0.00 C ATOM 1285 CG TYR A 79 16.972 -0.584 -0.588 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.542 -1.021 0.680 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.276 -0.885 -1.024 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.402 -1.771 1.497 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.142 -1.621 -0.196 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.706 -2.064 1.063 1.00 0.00 C ATOM 1291 OH TYR A 79 19.547 -2.790 1.851 1.00 0.00 O ATOM 0 H TYR A 79 14.243 1.364 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 79 15.229 1.425 0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.130 -0.466 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.485 0.292 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.548 -0.778 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.611 -0.551 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.062 -2.123 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.144 -1.846 -0.529 1.00 0.00 H new ATOM 0 HH TYR A 79 20.408 -2.900 1.396 1.00 0.00 H new ATOM 1301 N LYS A 80 16.854 3.331 -2.032 1.00 0.00 N ATOM 1302 CA LYS A 80 17.931 4.304 -2.182 1.00 0.00 C ATOM 1303 C LYS A 80 17.954 5.329 -1.045 1.00 0.00 C ATOM 1304 O LYS A 80 18.985 5.953 -0.794 1.00 0.00 O ATOM 1305 CB LYS A 80 17.811 4.985 -3.555 1.00 0.00 C ATOM 1306 CG LYS A 80 19.048 5.796 -3.959 1.00 0.00 C ATOM 1307 CD LYS A 80 18.815 6.435 -5.334 1.00 0.00 C ATOM 1308 CE LYS A 80 20.027 7.272 -5.757 1.00 0.00 C ATOM 1309 NZ LYS A 80 19.799 7.924 -7.060 1.00 0.00 N ATOM 0 H LYS A 80 16.214 3.311 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 80 18.882 3.775 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.626 4.223 -4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.943 5.645 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.248 6.569 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 80 19.925 5.150 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.628 5.657 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.926 7.065 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.231 8.029 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.909 6.635 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.637 8.483 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.628 7.199 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.971 8.550 -6.995 1.00 0.00 H new ATOM 1323 N THR A 81 16.825 5.547 -0.367 1.00 0.00 N ATOM 1324 CA THR A 81 16.792 6.411 0.813 1.00 0.00 C ATOM 1325 C THR A 81 15.865 5.841 1.897 1.00 0.00 C ATOM 1326 O THR A 81 15.630 6.493 2.910 1.00 0.00 O ATOM 1327 CB THR A 81 16.438 7.845 0.370 1.00 0.00 C ATOM 1328 OG1 THR A 81 17.167 8.160 -0.802 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.785 8.915 1.409 1.00 0.00 C ATOM 0 H THR A 81 15.924 5.138 -0.615 1.00 0.00 H new ATOM 0 HA THR A 81 17.774 6.450 1.284 1.00 0.00 H new ATOM 0 HB THR A 81 15.359 7.855 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.946 9.070 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.507 9.897 1.027 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.239 8.717 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.856 8.893 1.610 1.00 0.00 H new ATOM 1337 N ARG A 82 15.333 4.628 1.695 1.00 0.00 N ATOM 1338 CA ARG A 82 14.299 4.042 2.544 1.00 0.00 C ATOM 1339 C ARG A 82 13.149 5.043 2.740 1.00 0.00 C ATOM 1340 O ARG A 82 12.604 5.186 3.832 1.00 0.00 O ATOM 1341 CB ARG A 82 14.899 3.550 3.873 1.00 0.00 C ATOM 1342 CG ARG A 82 13.981 2.514 4.545 1.00 0.00 C ATOM 1343 CD ARG A 82 14.293 2.354 6.036 1.00 0.00 C ATOM 1344 NE ARG A 82 15.620 1.770 6.262 1.00 0.00 N ATOM 1345 CZ ARG A 82 16.101 1.445 7.471 1.00 0.00 C ATOM 1346 NH1 ARG A 82 15.388 1.707 8.573 1.00 0.00 N ATOM 1347 NH2 ARG A 82 17.295 0.855 7.573 1.00 0.00 N ATOM 0 H ARG A 82 15.616 4.022 0.925 1.00 0.00 H new ATOM 0 HA ARG A 82 13.880 3.164 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.879 3.109 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.049 4.396 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.941 2.817 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.093 1.552 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.238 3.327 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.535 1.722 6.499 1.00 0.00 H new ATOM 0 HE ARG A 82 16.213 1.601 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.475 2.155 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.757 1.458 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.838 0.653 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.664 0.606 8.491 1.00 0.00 H new ATOM 1361 N GLY A 83 12.788 5.747 1.664 1.00 0.00 N ATOM 1362 CA GLY A 83 11.718 6.733 1.669 1.00 0.00 C ATOM 1363 C GLY A 83 10.536 6.135 0.928 1.00 0.00 C ATOM 1364 O GLY A 83 10.745 5.439 -0.065 1.00 0.00 O ATOM 0 H GLY A 83 13.240 5.643 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.439 6.989 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.045 7.655 1.187 1.00 0.00 H new ATOM 1368 N ARG A 84 9.312 6.369 1.408 1.00 0.00 N ATOM 1369 CA ARG A 84 8.113 5.837 0.793 1.00 0.00 C ATOM 1370 C ARG A 84 7.223 6.959 0.288 1.00 0.00 C ATOM 1371 O ARG A 84 7.372 8.107 0.704 1.00 0.00 O ATOM 1372 CB ARG A 84 7.326 4.999 1.800 1.00 0.00 C ATOM 1373 CG ARG A 84 8.200 4.057 2.634 1.00 0.00 C ATOM 1374 CD ARG A 84 7.334 2.978 3.292 1.00 0.00 C ATOM 1375 NE ARG A 84 8.091 2.247 4.318 1.00 0.00 N ATOM 1376 CZ ARG A 84 7.857 0.993 4.735 1.00 0.00 C ATOM 1377 NH1 ARG A 84 7.057 0.166 4.053 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.424 0.565 5.865 1.00 0.00 N ATOM 0 H ARG A 84 9.134 6.936 2.237 1.00 0.00 H new ATOM 0 HA ARG A 84 8.419 5.213 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.785 5.667 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.580 4.410 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.954 3.592 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.732 4.624 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.454 3.438 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.976 2.281 2.534 1.00 0.00 H new ATOM 0 HE ARG A 84 8.869 2.740 4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.608 0.484 3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.896 -0.782 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.027 1.189 6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.254 -0.386 6.193 1.00 0.00 H new ATOM 1392 N LYS A 85 6.261 6.596 -0.559 1.00 0.00 N ATOM 1393 CA LYS A 85 5.227 7.488 -1.033 1.00 0.00 C ATOM 1394 C LYS A 85 4.055 6.691 -1.589 1.00 0.00 C ATOM 1395 O LYS A 85 4.229 5.570 -2.074 1.00 0.00 O ATOM 1396 CB LYS A 85 5.802 8.515 -2.023 1.00 0.00 C ATOM 1397 CG LYS A 85 6.265 7.979 -3.388 1.00 0.00 C ATOM 1398 CD LYS A 85 5.091 7.793 -4.361 1.00 0.00 C ATOM 1399 CE LYS A 85 5.524 7.821 -5.830 1.00 0.00 C ATOM 1400 NZ LYS A 85 6.466 6.730 -6.136 1.00 0.00 N ATOM 0 H LYS A 85 6.185 5.652 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 85 4.835 8.068 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.045 9.279 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.649 9.008 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.989 8.668 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.775 7.026 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.598 6.844 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.355 8.579 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.646 7.736 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.991 8.780 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.333 6.422 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.441 7.067 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.290 5.929 -5.496 1.00 0.00 H new ATOM 1414 N LEU A 86 2.858 7.270 -1.495 1.00 0.00 N ATOM 1415 CA LEU A 86 1.642 6.745 -2.099 1.00 0.00 C ATOM 1416 C LEU A 86 1.864 6.607 -3.608 1.00 0.00 C ATOM 1417 O LEU A 86 1.982 7.616 -4.299 1.00 0.00 O ATOM 1418 CB LEU A 86 0.501 7.724 -1.788 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.856 7.339 -2.401 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.463 6.120 -1.696 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.807 8.533 -2.270 1.00 0.00 C ATOM 0 H LEU A 86 2.708 8.139 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 86 1.386 5.763 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.388 7.799 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.780 8.714 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.707 7.078 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.421 5.875 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.787 5.270 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.613 6.347 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.775 8.276 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.933 8.784 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.390 9.390 -2.799 1.00 0.00 H new ATOM 1433 N LEU A 87 1.932 5.378 -4.126 1.00 0.00 N ATOM 1434 CA LEU A 87 2.096 5.153 -5.556 1.00 0.00 C ATOM 1435 C LEU A 87 0.796 5.511 -6.247 1.00 0.00 C ATOM 1436 O LEU A 87 0.795 6.200 -7.265 1.00 0.00 O ATOM 1437 CB LEU A 87 2.402 3.679 -5.834 1.00 0.00 C ATOM 1438 CG LEU A 87 2.819 3.381 -7.286 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.152 4.035 -7.670 1.00 0.00 C ATOM 1440 CD2 LEU A 87 2.926 1.864 -7.485 1.00 0.00 C ATOM 0 H LEU A 87 1.875 4.524 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 87 2.920 5.765 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.199 3.353 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.520 3.085 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 87 2.051 3.805 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.393 3.789 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.071 5.117 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.941 3.664 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.221 1.652 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.673 1.459 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.960 1.401 -7.282 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.307 4.994 -5.701 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.627 5.202 -6.256 1.00 0.00 C ATOM 1454 C ARG A 88 -2.663 4.867 -5.195 1.00 0.00 C ATOM 1455 O ARG A 88 -2.395 4.096 -4.272 1.00 0.00 O ATOM 1456 CB ARG A 88 -1.812 4.344 -7.524 1.00 0.00 C ATOM 1457 CG ARG A 88 -2.068 5.187 -8.785 1.00 0.00 C ATOM 1458 CD ARG A 88 -1.232 4.686 -9.966 1.00 0.00 C ATOM 1459 NE ARG A 88 0.193 4.953 -9.726 1.00 0.00 N ATOM 1460 CZ ARG A 88 1.163 4.863 -10.644 1.00 0.00 C ATOM 1461 NH1 ARG A 88 0.903 4.379 -11.863 1.00 0.00 N ATOM 1462 NH2 ARG A 88 2.394 5.272 -10.326 1.00 0.00 N ATOM 0 H ARG A 88 -0.299 4.419 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.752 6.244 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.922 3.733 -7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.647 3.660 -7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.126 5.148 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.827 6.231 -8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.391 3.617 -10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.553 5.179 -10.884 1.00 0.00 H new ATOM 0 HE ARG A 88 0.465 5.230 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.041 4.074 -12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.649 4.314 -12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.583 5.646 -9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.145 5.211 -11.013 1.00 0.00 H new ATOM 1476 N PHE A 89 -3.842 5.465 -5.350 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.013 5.223 -4.533 1.00 0.00 C ATOM 1478 C PHE A 89 -6.084 4.704 -5.485 1.00 0.00 C ATOM 1479 O PHE A 89 -6.144 5.149 -6.632 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.432 6.529 -3.838 1.00 0.00 C ATOM 1481 CG PHE A 89 -5.982 6.312 -2.444 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -7.096 5.475 -2.276 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -5.260 6.741 -1.313 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.381 4.937 -1.016 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -5.642 6.317 -0.028 1.00 0.00 C ATOM 1486 CZ PHE A 89 -6.698 5.402 0.120 1.00 0.00 C ATOM 0 H PHE A 89 -4.007 6.158 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.834 4.496 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.572 7.196 -3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.186 7.031 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.732 5.246 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.411 7.397 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.127 4.163 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.125 6.693 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.983 5.058 1.103 1.00 0.00 H new ATOM 1496 N ASN A 90 -6.888 3.734 -5.053 1.00 0.00 N ATOM 1497 CA ASN A 90 -7.955 3.142 -5.830 1.00 0.00 C ATOM 1498 C ASN A 90 -9.193 3.076 -4.936 1.00 0.00 C ATOM 1499 O ASN A 90 -9.114 2.637 -3.787 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.558 1.744 -6.337 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.055 1.448 -6.424 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.553 0.500 -5.819 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -5.316 2.240 -7.197 1.00 0.00 N ATOM 0 H ASN A 90 -6.805 3.331 -4.120 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.162 3.746 -6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.014 1.002 -5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.991 1.605 -7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.316 2.067 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.750 3.020 -7.690 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.340 3.524 -5.441 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.590 3.504 -4.701 1.00 0.00 C ATOM 1512 C GLY A 91 -12.480 4.672 -5.121 1.00 0.00 C ATOM 1513 O GLY A 91 -12.095 5.427 -6.016 1.00 0.00 O ATOM 0 H GLY A 91 -10.424 3.912 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.109 2.562 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.387 3.560 -3.632 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.644 4.847 -4.476 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.173 3.967 -3.445 1.00 0.00 C ATOM 1519 C PRO A 92 -14.602 2.628 -4.051 1.00 0.00 C ATOM 1520 O PRO A 92 -14.790 2.517 -5.262 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.379 4.717 -2.872 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.885 5.517 -4.073 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.589 5.909 -4.782 1.00 0.00 C ATOM 0 HA PRO A 92 -13.434 3.736 -2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.138 4.032 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.095 5.367 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.533 4.919 -4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.459 6.391 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.742 6.001 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.224 6.873 -4.428 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.753 1.611 -3.203 1.00 0.00 N ATOM 1532 CA VAL A 93 -15.328 0.316 -3.552 1.00 0.00 C ATOM 1533 C VAL A 93 -16.436 0.032 -2.517 1.00 0.00 C ATOM 1534 O VAL A 93 -16.475 0.701 -1.479 1.00 0.00 O ATOM 1535 CB VAL A 93 -14.230 -0.777 -3.601 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -14.062 -1.407 -4.987 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -12.815 -0.301 -3.224 1.00 0.00 C ATOM 0 H VAL A 93 -14.469 1.669 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.765 0.318 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.606 -1.485 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.278 -2.163 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.000 -1.871 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.788 -0.635 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.120 -1.138 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.501 0.485 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -12.821 0.087 -2.206 1.00 0.00 H new ATOM 1547 N PRO A 94 -17.366 -0.903 -2.770 1.00 0.00 N ATOM 1548 CA PRO A 94 -18.424 -1.213 -1.823 1.00 0.00 C ATOM 1549 C PRO A 94 -17.850 -2.061 -0.680 1.00 0.00 C ATOM 1550 O PRO A 94 -16.809 -2.698 -0.852 1.00 0.00 O ATOM 1551 CB PRO A 94 -19.468 -1.983 -2.636 1.00 0.00 C ATOM 1552 CG PRO A 94 -18.623 -2.724 -3.670 1.00 0.00 C ATOM 1553 CD PRO A 94 -17.454 -1.770 -3.934 1.00 0.00 C ATOM 0 HA PRO A 94 -18.865 -0.329 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.037 -2.672 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -20.186 -1.313 -3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -18.277 -3.685 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.189 -2.925 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.526 -2.323 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -17.623 -1.189 -4.840 1.00 0.00 H new ATOM 1561 N PRO A 95 -18.513 -2.098 0.486 1.00 0.00 N ATOM 1562 CA PRO A 95 -18.130 -2.993 1.563 1.00 0.00 C ATOM 1563 C PRO A 95 -18.419 -4.444 1.146 1.00 0.00 C ATOM 1564 O PRO A 95 -19.321 -4.681 0.343 1.00 0.00 O ATOM 1565 CB PRO A 95 -18.992 -2.570 2.756 1.00 0.00 C ATOM 1566 CG PRO A 95 -20.260 -2.036 2.091 1.00 0.00 C ATOM 1567 CD PRO A 95 -19.731 -1.376 0.818 1.00 0.00 C ATOM 0 HA PRO A 95 -17.069 -2.939 1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.206 -3.410 3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.500 -1.807 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -20.966 -2.836 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -20.780 -1.322 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -20.459 -1.442 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -19.528 -0.317 0.979 1.00 0.00 H new ATOM 1575 N PRO A 96 -17.676 -5.430 1.671 1.00 0.00 N ATOM 1576 CA PRO A 96 -17.899 -6.833 1.359 1.00 0.00 C ATOM 1577 C PRO A 96 -19.224 -7.313 1.962 1.00 0.00 C ATOM 1578 O PRO A 96 -19.399 -7.115 3.186 1.00 0.00 O ATOM 1579 CB PRO A 96 -16.689 -7.570 1.942 1.00 0.00 C ATOM 1580 CG PRO A 96 -16.248 -6.680 3.106 1.00 0.00 C ATOM 1581 CD PRO A 96 -16.582 -5.270 2.616 1.00 0.00 C ATOM 1582 OXT PRO A 96 -20.026 -7.880 1.188 1.00 0.00 O ATOM 0 HA PRO A 96 -17.984 -7.018 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -16.955 -8.571 2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -15.896 -7.685 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -16.782 -6.924 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -15.184 -6.791 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.873 -4.626 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.718 -4.806 2.140 1.00 0.00 H new TER 1590 PRO A 96