USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 698 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.34) USER MOD Single : A 9 SER OG : rot -117:sc= -1.81! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 22 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.53) USER MOD Single : A 24 ASN : amide:sc= -2.84! C(o=-2.8!,f=-6.7!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.094) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.0685 (180deg=-0.489) USER MOD Single : A 38 GLN : amide:sc= -1.9 K(o=-1.9,f=-4!) USER MOD Single : A 40 CYS SG : rot -21:sc= 0.133 USER MOD Single : A 42 GLN : amide:sc= -2.3! C(o=-2.3!,f=-4.7!) USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= -2.5 (180deg=-5.92!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.012) USER MOD Single : A 70 THR OG1 : rot 91:sc= 0.139 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -104:sc= -0.389! USER MOD Single : A 79 THR OG1 : rot -150:sc= -2.92! USER MOD Single : A 87 GLN : amide:sc= -0.813 K(o=-0.81,f=-4.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -56:sc= 0.865 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 6.142 2.860 -15.191 1.00 0.00 N ATOM 20 CA TYR A 3 4.813 2.630 -14.637 1.00 0.00 C ATOM 21 C TYR A 3 4.540 3.579 -13.473 1.00 0.00 C ATOM 22 O TYR A 3 5.251 3.561 -12.468 1.00 0.00 O ATOM 23 CB TYR A 3 4.679 1.177 -14.174 1.00 0.00 C ATOM 24 CG TYR A 3 3.303 0.825 -13.655 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.269 0.513 -14.530 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.037 0.805 -12.292 1.00 0.00 C ATOM 27 CE1 TYR A 3 1.011 0.190 -14.061 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.781 0.481 -11.815 1.00 0.00 C ATOM 29 CZ TYR A 3 0.772 0.175 -12.703 1.00 0.00 C ATOM 30 OH TYR A 3 -0.480 -0.148 -12.232 1.00 0.00 O ATOM 0 HA TYR A 3 4.078 2.823 -15.418 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.923 0.517 -15.006 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.412 0.986 -13.390 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.453 0.523 -15.594 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.824 1.047 -11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.218 -0.050 -14.754 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.591 0.468 -10.752 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.480 -0.113 -11.253 1.00 0.00 H new ATOM 40 N TRP A 4 3.509 4.406 -13.615 1.00 0.00 N ATOM 41 CA TRP A 4 3.152 5.362 -12.572 1.00 0.00 C ATOM 42 C TRP A 4 1.638 5.585 -12.521 1.00 0.00 C ATOM 43 O TRP A 4 1.090 6.336 -13.328 1.00 0.00 O ATOM 44 CB TRP A 4 3.864 6.696 -12.812 1.00 0.00 C ATOM 45 CG TRP A 4 3.555 7.731 -11.772 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.592 8.696 -11.836 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.215 7.904 -10.514 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.611 9.458 -10.693 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.599 8.992 -9.866 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.266 7.245 -9.870 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.000 9.434 -8.608 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.662 7.685 -8.622 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.031 8.770 -8.002 1.00 0.00 C ATOM 0 H TRP A 4 2.908 4.434 -14.439 1.00 0.00 H new ATOM 0 HA TRP A 4 3.471 4.949 -11.615 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.940 6.526 -12.836 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.580 7.080 -13.792 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.914 8.840 -12.664 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.991 10.243 -10.493 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.760 6.407 -10.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.515 10.271 -8.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.473 7.183 -8.115 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.365 9.089 -7.026 1.00 0.00 H new ATOM 64 N PRO A 5 0.941 4.927 -11.574 1.00 0.00 N ATOM 65 CA PRO A 5 -0.513 5.069 -11.422 1.00 0.00 C ATOM 66 C PRO A 5 -0.914 6.495 -11.057 1.00 0.00 C ATOM 67 O PRO A 5 -0.059 7.352 -10.836 1.00 0.00 O ATOM 68 CB PRO A 5 -0.860 4.113 -10.273 1.00 0.00 C ATOM 69 CG PRO A 5 0.306 3.190 -10.166 1.00 0.00 C ATOM 70 CD PRO A 5 1.503 3.992 -10.587 1.00 0.00 C ATOM 0 HA PRO A 5 -1.039 4.843 -12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.018 4.657 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.779 3.564 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.421 2.822 -9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.175 2.318 -10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.954 4.517 -9.745 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.278 3.362 -11.023 1.00 0.00 H new ATOM 78 N ALA A 6 -2.219 6.742 -10.994 1.00 0.00 N ATOM 79 CA ALA A 6 -2.726 8.065 -10.648 1.00 0.00 C ATOM 80 C ALA A 6 -2.677 8.284 -9.139 1.00 0.00 C ATOM 81 O ALA A 6 -2.125 7.466 -8.404 1.00 0.00 O ATOM 82 CB ALA A 6 -4.144 8.242 -11.170 1.00 0.00 C ATOM 0 H ALA A 6 -2.942 6.046 -11.177 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.088 8.812 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.508 9.234 -10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.149 8.132 -12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.792 7.486 -10.726 1.00 0.00 H new ATOM 88 N ARG A 7 -3.254 9.391 -8.681 1.00 0.00 N ATOM 89 CA ARG A 7 -3.264 9.712 -7.257 1.00 0.00 C ATOM 90 C ARG A 7 -4.521 9.174 -6.578 1.00 0.00 C ATOM 91 O ARG A 7 -5.595 9.132 -7.180 1.00 0.00 O ATOM 92 CB ARG A 7 -3.169 11.226 -7.059 1.00 0.00 C ATOM 93 CG ARG A 7 -2.969 11.639 -5.610 1.00 0.00 C ATOM 94 CD ARG A 7 -2.962 13.152 -5.457 1.00 0.00 C ATOM 95 NE ARG A 7 -2.782 13.561 -4.067 1.00 0.00 N ATOM 96 CZ ARG A 7 -2.788 14.828 -3.665 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.966 15.806 -4.545 1.00 0.00 N ATOM 98 NH2 ARG A 7 -2.618 15.120 -2.383 1.00 0.00 N ATOM 0 H ARG A 7 -3.719 10.079 -9.273 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.399 9.234 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.342 11.611 -7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.079 11.691 -7.438 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.763 11.214 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.028 11.231 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.162 13.574 -6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.899 13.559 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.644 12.834 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.099 15.586 -5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.970 16.777 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.482 14.372 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.623 16.093 -2.077 1.00 0.00 H new ATOM 112 N HIS A 8 -4.375 8.761 -5.320 1.00 0.00 N ATOM 113 CA HIS A 8 -5.492 8.220 -4.543 1.00 0.00 C ATOM 114 C HIS A 8 -6.086 6.983 -5.210 1.00 0.00 C ATOM 115 O HIS A 8 -7.135 6.489 -4.795 1.00 0.00 O ATOM 116 CB HIS A 8 -6.581 9.280 -4.354 1.00 0.00 C ATOM 117 CG HIS A 8 -6.148 10.454 -3.532 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.852 10.363 -2.187 1.00 0.00 N ATOM 119 CD2 HIS A 8 -5.961 11.752 -3.868 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.504 11.554 -1.734 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.562 12.414 -2.734 1.00 0.00 N ATOM 0 H HIS A 8 -3.490 8.791 -4.814 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.102 7.930 -3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.904 9.634 -5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.447 8.817 -3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.100 12.186 -4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.220 11.785 -0.718 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.345 13.409 -2.674 1.00 0.00 H new ATOM 130 N SER A 9 -5.412 6.481 -6.239 1.00 0.00 N ATOM 131 CA SER A 9 -5.884 5.299 -6.953 1.00 0.00 C ATOM 132 C SER A 9 -5.690 4.045 -6.111 1.00 0.00 C ATOM 133 O SER A 9 -5.017 4.077 -5.082 1.00 0.00 O ATOM 134 CB SER A 9 -5.148 5.152 -8.285 1.00 0.00 C ATOM 135 OG SER A 9 -5.397 6.263 -9.127 1.00 0.00 O ATOM 0 H SER A 9 -4.540 6.872 -6.597 1.00 0.00 H new ATOM 0 HA SER A 9 -6.949 5.424 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.077 5.061 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.467 4.236 -8.782 1.00 0.00 H new ATOM 0 HG SER A 9 -5.861 5.963 -9.936 1.00 0.00 H new ATOM 141 N GLY A 10 -6.283 2.941 -6.552 1.00 0.00 N ATOM 142 CA GLY A 10 -6.158 1.695 -5.819 1.00 0.00 C ATOM 143 C GLY A 10 -4.719 1.241 -5.684 1.00 0.00 C ATOM 144 O GLY A 10 -4.217 1.068 -4.573 1.00 0.00 O ATOM 0 H GLY A 10 -6.846 2.886 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.592 1.817 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.734 0.920 -6.326 1.00 0.00 H new ATOM 148 N ALA A 11 -4.054 1.049 -6.818 1.00 0.00 N ATOM 149 CA ALA A 11 -2.664 0.606 -6.818 1.00 0.00 C ATOM 150 C ALA A 11 -1.760 1.580 -6.061 1.00 0.00 C ATOM 151 O ALA A 11 -0.758 1.179 -5.466 1.00 0.00 O ATOM 152 CB ALA A 11 -2.173 0.426 -8.246 1.00 0.00 C ATOM 0 H ALA A 11 -4.453 1.192 -7.746 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.619 -0.352 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.134 0.095 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.786 -0.321 -8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.246 1.375 -8.778 1.00 0.00 H new ATOM 158 N ARG A 12 -2.129 2.857 -6.078 1.00 0.00 N ATOM 159 CA ARG A 12 -1.351 3.887 -5.405 1.00 0.00 C ATOM 160 C ARG A 12 -1.461 3.755 -3.897 1.00 0.00 C ATOM 161 O ARG A 12 -0.461 3.628 -3.187 1.00 0.00 O ATOM 162 CB ARG A 12 -1.865 5.264 -5.825 1.00 0.00 C ATOM 163 CG ARG A 12 -0.803 6.346 -5.819 1.00 0.00 C ATOM 164 CD ARG A 12 -0.588 6.918 -4.427 1.00 0.00 C ATOM 165 NE ARG A 12 0.410 7.986 -4.427 1.00 0.00 N ATOM 166 CZ ARG A 12 0.374 9.031 -3.606 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.614 9.159 -2.731 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.325 9.954 -3.665 1.00 0.00 N ATOM 0 H ARG A 12 -2.964 3.202 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.305 3.769 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.290 5.192 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.673 5.559 -5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.135 5.936 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.095 7.146 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.532 7.303 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.270 6.123 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 12 1.178 7.926 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.350 8.454 -2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.638 9.962 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.084 9.862 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.297 10.756 -3.035 1.00 0.00 H new ATOM 182 N VAL A 13 -2.696 3.777 -3.423 1.00 0.00 N ATOM 183 CA VAL A 13 -2.973 3.695 -2.002 1.00 0.00 C ATOM 184 C VAL A 13 -2.452 2.399 -1.380 1.00 0.00 C ATOM 185 O VAL A 13 -2.041 2.389 -0.220 1.00 0.00 O ATOM 186 CB VAL A 13 -4.485 3.816 -1.732 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.785 3.656 -0.251 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.013 5.146 -2.245 1.00 0.00 C ATOM 0 H VAL A 13 -3.528 3.852 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.447 4.529 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.992 3.014 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.859 3.745 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.446 2.676 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.265 4.432 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.082 5.214 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.497 5.962 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.839 5.217 -3.319 1.00 0.00 H new ATOM 198 N ILE A 14 -2.464 1.311 -2.145 1.00 0.00 N ATOM 199 CA ILE A 14 -2.009 0.036 -1.604 1.00 0.00 C ATOM 200 C ILE A 14 -0.487 -0.039 -1.455 1.00 0.00 C ATOM 201 O ILE A 14 0.014 -0.340 -0.376 1.00 0.00 O ATOM 202 CB ILE A 14 -2.506 -1.156 -2.454 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.975 -1.079 -3.888 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.025 -1.210 -2.455 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.423 -2.229 -4.766 1.00 0.00 C ATOM 0 H ILE A 14 -2.775 1.285 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.445 -0.030 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.121 -2.070 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.302 -0.141 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.886 -1.057 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.359 -2.055 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.386 -1.329 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.422 -0.286 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.008 -2.106 -5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.073 -3.169 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.511 -2.240 -4.824 1.00 0.00 H new ATOM 217 N LEU A 15 0.253 0.227 -2.526 1.00 0.00 N ATOM 218 CA LEU A 15 1.709 0.148 -2.419 1.00 0.00 C ATOM 219 C LEU A 15 2.251 1.112 -1.364 1.00 0.00 C ATOM 220 O LEU A 15 3.221 0.804 -0.673 1.00 0.00 O ATOM 221 CB LEU A 15 2.363 0.423 -3.773 1.00 0.00 C ATOM 222 CG LEU A 15 1.858 -0.451 -4.922 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.070 0.242 -6.256 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.557 -1.801 -4.906 1.00 0.00 C ATOM 0 H LEU A 15 -0.109 0.489 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 15 1.959 -0.865 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.200 1.469 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.440 0.283 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 15 0.788 -0.612 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.704 -0.397 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.525 1.186 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.133 0.435 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.187 -2.412 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.632 -1.656 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.354 -2.305 -3.961 1.00 0.00 H new ATOM 236 N LEU A 16 1.609 2.265 -1.223 1.00 0.00 N ATOM 237 CA LEU A 16 2.056 3.249 -0.260 1.00 0.00 C ATOM 238 C LEU A 16 1.773 2.783 1.165 1.00 0.00 C ATOM 239 O LEU A 16 2.632 2.841 2.053 1.00 0.00 O ATOM 240 CB LEU A 16 1.328 4.557 -0.525 1.00 0.00 C ATOM 241 CG LEU A 16 1.646 5.670 0.454 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.095 6.106 0.308 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.700 6.836 0.244 1.00 0.00 C ATOM 0 H LEU A 16 0.785 2.535 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 16 3.132 3.387 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.574 4.896 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.254 4.370 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 16 1.508 5.299 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.308 6.906 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.752 5.259 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.266 6.466 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.938 7.629 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.808 7.213 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.326 6.505 0.401 1.00 0.00 H new ATOM 255 N VAL A 17 0.553 2.322 1.369 1.00 0.00 N ATOM 256 CA VAL A 17 0.130 1.852 2.672 1.00 0.00 C ATOM 257 C VAL A 17 0.922 0.610 3.089 1.00 0.00 C ATOM 258 O VAL A 17 1.341 0.495 4.241 1.00 0.00 O ATOM 259 CB VAL A 17 -1.385 1.581 2.666 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.716 0.222 2.088 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.970 1.736 4.054 1.00 0.00 C ATOM 0 H VAL A 17 -0.164 2.264 0.645 1.00 0.00 H new ATOM 0 HA VAL A 17 0.335 2.627 3.410 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.842 2.328 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.796 0.073 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.357 0.166 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.234 -0.554 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.042 1.539 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.492 1.029 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.799 2.752 4.410 1.00 0.00 H new ATOM 271 N LEU A 18 1.126 -0.317 2.151 1.00 0.00 N ATOM 272 CA LEU A 18 1.911 -1.510 2.444 1.00 0.00 C ATOM 273 C LEU A 18 3.336 -1.114 2.763 1.00 0.00 C ATOM 274 O LEU A 18 4.037 -1.796 3.511 1.00 0.00 O ATOM 275 CB LEU A 18 1.916 -2.456 1.240 1.00 0.00 C ATOM 276 CG LEU A 18 0.761 -3.446 1.163 1.00 0.00 C ATOM 277 CD1 LEU A 18 0.931 -4.546 2.198 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.575 -2.752 1.348 1.00 0.00 C ATOM 0 H LEU A 18 0.764 -0.264 1.199 1.00 0.00 H new ATOM 0 HA LEU A 18 1.464 -2.018 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.914 -1.855 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.850 -3.018 1.249 1.00 0.00 H new ATOM 0 HG LEU A 18 0.773 -3.893 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.096 -5.244 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.865 -5.077 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.954 -4.107 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.378 -3.487 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.601 -2.266 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.708 -2.004 0.566 1.00 0.00 H new ATOM 290 N TYR A 19 3.753 0.001 2.180 1.00 0.00 N ATOM 291 CA TYR A 19 5.108 0.496 2.381 1.00 0.00 C ATOM 292 C TYR A 19 5.434 0.648 3.857 1.00 0.00 C ATOM 293 O TYR A 19 6.304 -0.044 4.370 1.00 0.00 O ATOM 294 CB TYR A 19 5.299 1.834 1.665 1.00 0.00 C ATOM 295 CG TYR A 19 6.677 2.434 1.844 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.745 2.026 1.054 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.907 3.412 2.803 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.004 2.576 1.218 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.161 3.966 2.972 1.00 0.00 C ATOM 300 CZ TYR A 19 9.205 3.545 2.178 1.00 0.00 C ATOM 301 OH TYR A 19 10.455 4.095 2.346 1.00 0.00 O ATOM 0 H TYR A 19 3.176 0.578 1.567 1.00 0.00 H new ATOM 0 HA TYR A 19 5.792 -0.239 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.109 1.696 0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.555 2.541 2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.590 1.268 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.091 3.745 3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.825 2.248 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.322 4.725 3.723 1.00 0.00 H new ATOM 0 HH TYR A 19 10.425 4.763 3.062 1.00 0.00 H new ATOM 311 N ARG A 20 4.694 1.496 4.556 1.00 0.00 N ATOM 312 CA ARG A 20 4.971 1.717 5.973 1.00 0.00 C ATOM 313 C ARG A 20 4.999 0.413 6.770 1.00 0.00 C ATOM 314 O ARG A 20 5.969 0.134 7.476 1.00 0.00 O ATOM 315 CB ARG A 20 3.926 2.659 6.563 1.00 0.00 C ATOM 316 CG ARG A 20 4.052 2.851 8.063 1.00 0.00 C ATOM 317 CD ARG A 20 2.909 3.686 8.601 1.00 0.00 C ATOM 318 NE ARG A 20 3.015 3.898 10.043 1.00 0.00 N ATOM 319 CZ ARG A 20 2.016 4.346 10.797 1.00 0.00 C ATOM 320 NH1 ARG A 20 0.840 4.622 10.252 1.00 0.00 N ATOM 321 NH2 ARG A 20 2.193 4.516 12.100 1.00 0.00 N ATOM 0 H ARG A 20 3.913 2.033 4.179 1.00 0.00 H new ATOM 0 HA ARG A 20 5.962 2.165 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.008 3.630 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.932 2.271 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.062 1.880 8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.001 3.336 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.895 4.650 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.963 3.193 8.376 1.00 0.00 H new ATOM 0 HE ARG A 20 3.905 3.691 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.699 4.491 9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.076 4.966 10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.096 4.303 12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.426 4.860 12.678 1.00 0.00 H new ATOM 335 N GLU A 21 3.936 -0.377 6.661 1.00 0.00 N ATOM 336 CA GLU A 21 3.912 -1.627 7.417 1.00 0.00 C ATOM 337 C GLU A 21 5.102 -2.507 7.052 1.00 0.00 C ATOM 338 O GLU A 21 5.573 -3.295 7.868 1.00 0.00 O ATOM 339 CB GLU A 21 2.609 -2.386 7.186 1.00 0.00 C ATOM 340 CG GLU A 21 2.138 -3.145 8.418 1.00 0.00 C ATOM 341 CD GLU A 21 3.179 -4.103 8.958 1.00 0.00 C ATOM 342 OE1 GLU A 21 3.380 -5.170 8.344 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.796 -3.786 9.996 1.00 0.00 O ATOM 0 H GLU A 21 3.115 -0.189 6.086 1.00 0.00 H new ATOM 0 HA GLU A 21 3.978 -1.372 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.834 -1.683 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.744 -3.088 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.870 -2.431 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.234 -3.701 8.171 1.00 0.00 H new ATOM 350 N HIS A 22 5.588 -2.374 5.829 1.00 0.00 N ATOM 351 CA HIS A 22 6.733 -3.169 5.415 1.00 0.00 C ATOM 352 C HIS A 22 7.987 -2.701 6.142 1.00 0.00 C ATOM 353 O HIS A 22 8.847 -3.505 6.498 1.00 0.00 O ATOM 354 CB HIS A 22 6.919 -3.077 3.905 1.00 0.00 C ATOM 355 CG HIS A 22 8.145 -3.773 3.397 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.110 -4.995 2.760 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.448 -3.403 3.422 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.336 -5.346 2.416 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.166 -4.398 2.807 1.00 0.00 N ATOM 0 H HIS A 22 5.219 -1.740 5.120 1.00 0.00 H new ATOM 0 HA HIS A 22 6.553 -4.212 5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.043 -3.502 3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.966 -2.026 3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.848 -2.494 3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.612 -6.255 1.902 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.177 -4.404 2.674 1.00 0.00 H new ATOM 368 N LEU A 23 8.082 -1.394 6.358 1.00 0.00 N ATOM 369 CA LEU A 23 9.228 -0.830 7.056 1.00 0.00 C ATOM 370 C LEU A 23 9.030 -0.902 8.563 1.00 0.00 C ATOM 371 O LEU A 23 9.948 -0.611 9.327 1.00 0.00 O ATOM 372 CB LEU A 23 9.460 0.626 6.643 1.00 0.00 C ATOM 373 CG LEU A 23 9.941 0.829 5.208 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.778 0.783 4.237 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.692 2.143 5.077 1.00 0.00 C ATOM 0 H LEU A 23 7.385 -0.711 6.062 1.00 0.00 H new ATOM 0 HA LEU A 23 10.103 -1.419 6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.529 1.177 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.192 1.066 7.320 1.00 0.00 H new ATOM 0 HG LEU A 23 10.623 0.015 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.146 0.930 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.284 -0.186 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.067 1.572 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.027 2.270 4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.033 2.968 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.556 2.136 5.741 1.00 0.00 H new ATOM 387 N ASN A 24 7.829 -1.294 8.984 1.00 0.00 N ATOM 388 CA ASN A 24 7.515 -1.386 10.404 1.00 0.00 C ATOM 389 C ASN A 24 8.524 -2.244 11.166 1.00 0.00 C ATOM 390 O ASN A 24 8.524 -3.469 11.045 1.00 0.00 O ATOM 391 CB ASN A 24 6.110 -1.946 10.611 1.00 0.00 C ATOM 392 CG ASN A 24 5.112 -0.850 10.916 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.516 -0.263 10.015 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.934 -0.561 12.195 1.00 0.00 N ATOM 0 H ASN A 24 7.062 -1.552 8.363 1.00 0.00 H new ATOM 0 HA ASN A 24 7.567 -0.373 10.802 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.797 -2.485 9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.122 -2.666 11.429 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.281 0.174 12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.450 -1.074 12.910 1.00 0.00 H new ATOM 401 N PRO A 25 9.402 -1.603 11.960 1.00 0.00 N ATOM 402 CA PRO A 25 10.399 -2.310 12.767 1.00 0.00 C ATOM 403 C PRO A 25 9.738 -3.106 13.881 1.00 0.00 C ATOM 404 O PRO A 25 10.027 -4.285 14.082 1.00 0.00 O ATOM 405 CB PRO A 25 11.259 -1.191 13.372 1.00 0.00 C ATOM 406 CG PRO A 25 10.905 0.045 12.615 1.00 0.00 C ATOM 407 CD PRO A 25 9.498 -0.148 12.129 1.00 0.00 C ATOM 0 HA PRO A 25 10.973 -3.021 12.172 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.053 -1.071 14.436 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.321 -1.418 13.276 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.979 0.926 13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.588 0.198 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.768 0.223 12.848 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.319 0.380 11.192 1.00 0.00 H new ATOM 415 N ASN A 26 8.844 -2.437 14.600 1.00 0.00 N ATOM 416 CA ASN A 26 8.120 -3.060 15.697 1.00 0.00 C ATOM 417 C ASN A 26 6.856 -3.738 15.185 1.00 0.00 C ATOM 418 O ASN A 26 5.901 -3.946 15.935 1.00 0.00 O ATOM 419 CB ASN A 26 7.759 -2.011 16.751 1.00 0.00 C ATOM 420 CG ASN A 26 8.979 -1.461 17.464 1.00 0.00 C ATOM 421 OD1 ASN A 26 9.568 -0.470 17.033 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.362 -2.102 18.561 1.00 0.00 N ATOM 0 H ASN A 26 8.604 -1.459 14.440 1.00 0.00 H new ATOM 0 HA ASN A 26 8.762 -3.815 16.151 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.221 -1.192 16.274 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.083 -2.453 17.483 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.175 -1.777 19.084 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.843 -2.920 18.881 1.00 0.00 H new ATOM 429 N GLY A 27 6.866 -4.091 13.904 1.00 0.00 N ATOM 430 CA GLY A 27 5.705 -4.736 13.322 1.00 0.00 C ATOM 431 C GLY A 27 6.082 -5.738 12.252 1.00 0.00 C ATOM 432 O GLY A 27 7.258 -6.062 12.082 1.00 0.00 O ATOM 0 H GLY A 27 7.648 -3.944 13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.141 -5.240 14.106 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.048 -3.979 12.893 1.00 0.00 H new ATOM 436 N HIS A 28 5.084 -6.229 11.529 1.00 0.00 N ATOM 437 CA HIS A 28 5.323 -7.196 10.467 1.00 0.00 C ATOM 438 C HIS A 28 5.806 -6.494 9.203 1.00 0.00 C ATOM 439 O HIS A 28 6.206 -5.331 9.242 1.00 0.00 O ATOM 440 CB HIS A 28 4.045 -7.984 10.171 1.00 0.00 C ATOM 441 CG HIS A 28 3.538 -8.764 11.344 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.740 -10.120 11.490 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.831 -8.372 12.431 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.179 -10.529 12.615 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.621 -9.488 13.203 1.00 0.00 N ATOM 0 H HIS A 28 4.105 -5.974 11.658 1.00 0.00 H new ATOM 0 HA HIS A 28 6.097 -7.888 10.800 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.269 -7.292 9.842 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.233 -8.668 9.344 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.495 -7.369 12.650 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.178 -11.542 12.989 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.115 -9.509 14.088 1.00 0.00 H new ATOM 454 N HIS A 29 5.773 -7.211 8.086 1.00 0.00 N ATOM 455 CA HIS A 29 6.196 -6.659 6.804 1.00 0.00 C ATOM 456 C HIS A 29 5.117 -6.897 5.756 1.00 0.00 C ATOM 457 O HIS A 29 5.406 -7.057 4.570 1.00 0.00 O ATOM 458 CB HIS A 29 7.510 -7.306 6.357 1.00 0.00 C ATOM 459 CG HIS A 29 8.611 -7.188 7.365 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.752 -8.054 8.430 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.631 -6.303 7.466 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.808 -7.705 9.141 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.360 -6.647 8.578 1.00 0.00 N ATOM 0 H HIS A 29 5.456 -8.180 8.042 1.00 0.00 H new ATOM 0 HA HIS A 29 6.353 -5.586 6.917 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.333 -8.361 6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.833 -6.845 5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.834 -5.480 6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.161 -8.202 10.033 1.00 0.00 H new ATOM 0 HE2 HIS A 29 11.193 -6.163 8.914 1.00 0.00 H new ATOM 472 N PHE A 30 3.869 -6.902 6.210 1.00 0.00 N ATOM 473 CA PHE A 30 2.730 -7.141 5.327 1.00 0.00 C ATOM 474 C PHE A 30 1.418 -6.731 5.985 1.00 0.00 C ATOM 475 O PHE A 30 1.393 -6.278 7.128 1.00 0.00 O ATOM 476 CB PHE A 30 2.649 -8.624 4.949 1.00 0.00 C ATOM 477 CG PHE A 30 2.501 -9.539 6.133 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.249 -9.817 6.659 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.614 -10.123 6.718 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.108 -10.657 7.745 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.478 -10.965 7.806 1.00 0.00 C ATOM 482 CZ PHE A 30 2.223 -11.232 8.321 1.00 0.00 C ATOM 0 H PHE A 30 3.618 -6.743 7.186 1.00 0.00 H new ATOM 0 HA PHE A 30 2.882 -6.536 4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.804 -8.774 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.548 -8.900 4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.372 -9.370 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.597 -9.918 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.126 -10.864 8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.352 -11.414 8.254 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.115 -11.889 9.172 1.00 0.00 H new ATOM 492 N LEU A 31 0.326 -6.915 5.246 1.00 0.00 N ATOM 493 CA LEU A 31 -1.005 -6.590 5.732 1.00 0.00 C ATOM 494 C LEU A 31 -2.060 -7.347 4.932 1.00 0.00 C ATOM 495 O LEU A 31 -1.818 -7.748 3.794 1.00 0.00 O ATOM 496 CB LEU A 31 -1.259 -5.090 5.623 1.00 0.00 C ATOM 497 CG LEU A 31 -0.650 -4.229 6.729 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.955 -2.759 6.488 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.165 -4.664 8.094 1.00 0.00 C ATOM 0 H LEU A 31 0.343 -7.292 4.298 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.069 -6.887 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.872 -4.744 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.336 -4.923 5.610 1.00 0.00 H new ATOM 0 HG LEU A 31 0.431 -4.365 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.514 -2.160 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.536 -2.453 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.035 -2.609 6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.719 -4.038 8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.250 -4.560 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.895 -5.705 8.270 1.00 0.00 H new ATOM 511 N THR A 32 -3.230 -7.538 5.531 1.00 0.00 N ATOM 512 CA THR A 32 -4.316 -8.243 4.861 1.00 0.00 C ATOM 513 C THR A 32 -5.321 -7.258 4.271 1.00 0.00 C ATOM 514 O THR A 32 -5.419 -6.118 4.723 1.00 0.00 O ATOM 515 CB THR A 32 -5.048 -9.196 5.824 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.659 -8.451 6.883 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.083 -10.218 6.408 1.00 0.00 C ATOM 0 H THR A 32 -3.450 -7.217 6.474 1.00 0.00 H new ATOM 0 HA THR A 32 -3.869 -8.829 4.058 1.00 0.00 H new ATOM 0 HB THR A 32 -5.818 -9.724 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.123 -9.065 7.489 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.621 -10.881 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.641 -10.804 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.294 -9.702 6.956 1.00 0.00 H new ATOM 525 N LYS A 33 -6.065 -7.706 3.262 1.00 0.00 N ATOM 526 CA LYS A 33 -7.056 -6.833 2.631 1.00 0.00 C ATOM 527 C LYS A 33 -7.984 -6.199 3.663 1.00 0.00 C ATOM 528 O LYS A 33 -8.559 -5.137 3.421 1.00 0.00 O ATOM 529 CB LYS A 33 -7.883 -7.625 1.614 1.00 0.00 C ATOM 530 CG LYS A 33 -7.536 -7.328 0.162 1.00 0.00 C ATOM 531 CD LYS A 33 -8.019 -5.947 -0.256 1.00 0.00 C ATOM 532 CE LYS A 33 -7.850 -5.723 -1.752 1.00 0.00 C ATOM 533 NZ LYS A 33 -8.603 -6.727 -2.553 1.00 0.00 N ATOM 0 H LYS A 33 -6.005 -8.646 2.870 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.516 -6.034 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.743 -8.690 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.939 -7.410 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.457 -7.394 0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.987 -8.083 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.069 -5.831 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.464 -5.186 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.194 -4.721 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.792 -5.773 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.749 -6.364 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.061 -7.614 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.525 -6.906 -2.107 1.00 0.00 H new ATOM 547 N GLU A 34 -8.129 -6.849 4.812 1.00 0.00 N ATOM 548 CA GLU A 34 -8.984 -6.339 5.875 1.00 0.00 C ATOM 549 C GLU A 34 -8.281 -5.239 6.666 1.00 0.00 C ATOM 550 O GLU A 34 -8.907 -4.266 7.085 1.00 0.00 O ATOM 551 CB GLU A 34 -9.393 -7.476 6.812 1.00 0.00 C ATOM 552 CG GLU A 34 -10.186 -8.576 6.125 1.00 0.00 C ATOM 553 CD GLU A 34 -11.488 -8.073 5.534 1.00 0.00 C ATOM 554 OE1 GLU A 34 -12.511 -8.090 6.250 1.00 0.00 O ATOM 555 OE2 GLU A 34 -11.485 -7.662 4.354 1.00 0.00 O ATOM 0 H GLU A 34 -7.665 -7.731 5.030 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.876 -5.912 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.497 -7.909 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.988 -7.067 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.579 -9.017 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.399 -9.368 6.843 1.00 0.00 H new ATOM 562 N GLU A 35 -6.975 -5.401 6.865 1.00 0.00 N ATOM 563 CA GLU A 35 -6.192 -4.423 7.614 1.00 0.00 C ATOM 564 C GLU A 35 -5.992 -3.147 6.807 1.00 0.00 C ATOM 565 O GLU A 35 -6.049 -2.043 7.349 1.00 0.00 O ATOM 566 CB GLU A 35 -4.837 -5.014 8.004 1.00 0.00 C ATOM 567 CG GLU A 35 -4.939 -6.192 8.959 1.00 0.00 C ATOM 568 CD GLU A 35 -3.584 -6.774 9.313 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.979 -6.312 10.304 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.128 -7.692 8.600 1.00 0.00 O ATOM 0 H GLU A 35 -6.439 -6.197 6.519 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.745 -4.172 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.316 -5.333 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.229 -4.235 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.443 -5.873 9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.557 -6.968 8.508 1.00 0.00 H new ATOM 577 N LEU A 36 -5.753 -3.308 5.511 1.00 0.00 N ATOM 578 CA LEU A 36 -5.544 -2.153 4.649 1.00 0.00 C ATOM 579 C LEU A 36 -6.713 -1.180 4.726 1.00 0.00 C ATOM 580 O LEU A 36 -6.538 0.019 4.546 1.00 0.00 O ATOM 581 CB LEU A 36 -5.348 -2.600 3.204 1.00 0.00 C ATOM 582 CG LEU A 36 -4.344 -3.732 3.001 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.191 -4.067 1.525 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.000 -3.363 3.602 1.00 0.00 C ATOM 0 H LEU A 36 -5.700 -4.211 5.041 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.648 -1.641 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.312 -2.916 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.025 -1.741 2.616 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.724 -4.617 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.470 -4.876 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.154 -4.378 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.839 -3.187 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.296 -4.181 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.621 -2.462 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.117 -3.181 4.670 1.00 0.00 H new ATOM 596 N LEU A 37 -7.908 -1.701 4.970 1.00 0.00 N ATOM 597 CA LEU A 37 -9.093 -0.858 5.070 1.00 0.00 C ATOM 598 C LEU A 37 -8.876 0.267 6.083 1.00 0.00 C ATOM 599 O LEU A 37 -9.113 1.437 5.783 1.00 0.00 O ATOM 600 CB LEU A 37 -10.311 -1.698 5.462 1.00 0.00 C ATOM 601 CG LEU A 37 -10.680 -2.808 4.475 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.866 -3.608 4.991 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.984 -2.225 3.103 1.00 0.00 C ATOM 0 H LEU A 37 -8.083 -2.697 5.102 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.276 -0.408 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.124 -2.148 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.169 -1.035 5.576 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.827 -3.480 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.114 -4.393 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.611 -4.058 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.724 -2.947 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.244 -3.030 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.820 -1.529 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.106 -1.698 2.729 1.00 0.00 H new ATOM 615 N GLN A 38 -8.438 -0.092 7.286 1.00 0.00 N ATOM 616 CA GLN A 38 -8.180 0.898 8.328 1.00 0.00 C ATOM 617 C GLN A 38 -6.892 1.668 8.037 1.00 0.00 C ATOM 618 O GLN A 38 -6.821 2.881 8.234 1.00 0.00 O ATOM 619 CB GLN A 38 -8.083 0.224 9.700 1.00 0.00 C ATOM 620 CG GLN A 38 -9.407 -0.316 10.216 1.00 0.00 C ATOM 621 CD GLN A 38 -9.990 -1.398 9.327 1.00 0.00 C ATOM 622 OE1 GLN A 38 -10.760 -1.116 8.410 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.621 -2.646 9.595 1.00 0.00 N ATOM 0 H GLN A 38 -8.255 -1.056 7.563 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.014 1.600 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.366 -0.595 9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.689 0.942 10.420 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.264 -0.716 11.220 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.121 0.504 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.980 -2.834 10.366 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.979 -3.416 9.030 1.00 0.00 H new ATOM 632 N ARG A 39 -5.879 0.945 7.571 1.00 0.00 N ATOM 633 CA ARG A 39 -4.587 1.537 7.252 1.00 0.00 C ATOM 634 C ARG A 39 -4.719 2.648 6.211 1.00 0.00 C ATOM 635 O ARG A 39 -4.269 3.774 6.421 1.00 0.00 O ATOM 636 CB ARG A 39 -3.662 0.446 6.726 1.00 0.00 C ATOM 637 CG ARG A 39 -2.207 0.671 7.068 1.00 0.00 C ATOM 638 CD ARG A 39 -1.917 0.335 8.520 1.00 0.00 C ATOM 639 NE ARG A 39 -2.526 1.288 9.444 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.604 1.096 10.757 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.112 -0.009 11.300 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.173 2.012 11.529 1.00 0.00 N ATOM 0 H ARG A 39 -5.930 -0.060 7.405 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.176 1.981 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.978 -0.514 7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.767 0.383 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.581 0.058 6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.944 1.711 6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.287 -0.667 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.839 0.318 8.678 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.913 2.150 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.672 -0.715 10.710 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.174 -0.153 12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.551 2.864 11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.233 1.864 12.536 1.00 0.00 H new ATOM 656 N CYS A 40 -5.340 2.308 5.092 1.00 0.00 N ATOM 657 CA CYS A 40 -5.559 3.253 3.999 1.00 0.00 C ATOM 658 C CYS A 40 -6.309 4.483 4.495 1.00 0.00 C ATOM 659 O CYS A 40 -6.128 5.584 3.974 1.00 0.00 O ATOM 660 CB CYS A 40 -6.339 2.585 2.862 1.00 0.00 C ATOM 661 SG CYS A 40 -8.060 2.206 3.263 1.00 0.00 S ATOM 0 H CYS A 40 -5.707 1.373 4.913 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.586 3.568 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.317 3.238 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.832 1.662 2.582 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.205 2.163 4.554 1.00 0.00 H new ATOM 667 N ALA A 41 -7.162 4.286 5.497 1.00 0.00 N ATOM 668 CA ALA A 41 -7.937 5.383 6.068 1.00 0.00 C ATOM 669 C ALA A 41 -7.030 6.447 6.685 1.00 0.00 C ATOM 670 O ALA A 41 -7.511 7.448 7.216 1.00 0.00 O ATOM 671 CB ALA A 41 -8.916 4.857 7.105 1.00 0.00 C ATOM 0 H ALA A 41 -7.334 3.378 5.929 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.497 5.851 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.486 5.687 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.598 4.148 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.367 4.358 7.903 1.00 0.00 H new ATOM 677 N GLN A 42 -5.720 6.226 6.612 1.00 0.00 N ATOM 678 CA GLN A 42 -4.791 7.199 7.169 1.00 0.00 C ATOM 679 C GLN A 42 -4.247 8.073 6.044 1.00 0.00 C ATOM 680 O GLN A 42 -3.792 9.195 6.268 1.00 0.00 O ATOM 681 CB GLN A 42 -3.643 6.494 7.894 1.00 0.00 C ATOM 682 CG GLN A 42 -2.648 7.449 8.536 1.00 0.00 C ATOM 683 CD GLN A 42 -1.513 6.726 9.233 1.00 0.00 C ATOM 684 OE1 GLN A 42 -0.479 6.442 8.629 1.00 0.00 O ATOM 685 NE2 GLN A 42 -1.701 6.425 10.512 1.00 0.00 N ATOM 0 H GLN A 42 -5.289 5.406 6.185 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.316 7.822 7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.057 5.843 8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.115 5.855 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.238 8.109 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.169 8.080 9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.575 6.680 10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.972 5.939 11.034 1.00 0.00 H new ATOM 694 N LYS A 43 -4.304 7.527 4.832 1.00 0.00 N ATOM 695 CA LYS A 43 -3.839 8.216 3.633 1.00 0.00 C ATOM 696 C LYS A 43 -4.406 9.630 3.565 1.00 0.00 C ATOM 697 O LYS A 43 -3.662 10.609 3.510 1.00 0.00 O ATOM 698 CB LYS A 43 -4.268 7.432 2.397 1.00 0.00 C ATOM 699 CG LYS A 43 -3.624 7.921 1.116 1.00 0.00 C ATOM 700 CD LYS A 43 -3.085 6.759 0.309 1.00 0.00 C ATOM 701 CE LYS A 43 -2.394 7.225 -0.960 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.304 8.018 -1.832 1.00 0.00 N ATOM 0 H LYS A 43 -4.674 6.593 4.654 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.752 8.282 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.020 6.380 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.352 7.493 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.354 8.473 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.815 8.613 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.382 6.189 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.902 6.086 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.525 7.829 -0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.027 6.360 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.216 7.690 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.286 7.894 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.047 9.024 -1.778 1.00 0.00 H new ATOM 885 N PRO A 56 -9.735 -4.609 -6.398 1.00 0.00 N ATOM 886 CA PRO A 56 -9.399 -5.905 -6.999 1.00 0.00 C ATOM 887 C PRO A 56 -8.114 -5.817 -7.818 1.00 0.00 C ATOM 888 O PRO A 56 -7.516 -6.832 -8.174 1.00 0.00 O ATOM 889 CB PRO A 56 -10.593 -6.209 -7.907 1.00 0.00 C ATOM 890 CG PRO A 56 -11.721 -5.438 -7.320 1.00 0.00 C ATOM 891 CD PRO A 56 -11.111 -4.193 -6.740 1.00 0.00 C ATOM 0 HA PRO A 56 -9.225 -6.677 -6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.397 -5.903 -8.935 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.812 -7.277 -7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.463 -5.192 -8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.232 -6.017 -6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.115 -3.372 -7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.657 -3.851 -5.861 1.00 0.00 H new ATOM 899 N ALA A 57 -7.704 -4.585 -8.112 1.00 0.00 N ATOM 900 CA ALA A 57 -6.491 -4.333 -8.879 1.00 0.00 C ATOM 901 C ALA A 57 -5.259 -4.847 -8.143 1.00 0.00 C ATOM 902 O ALA A 57 -4.263 -5.213 -8.762 1.00 0.00 O ATOM 903 CB ALA A 57 -6.360 -2.844 -9.162 1.00 0.00 C ATOM 0 H ALA A 57 -8.200 -3.741 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.562 -4.871 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.451 -2.661 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.224 -2.505 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.310 -2.298 -8.220 1.00 0.00 H new ATOM 909 N LEU A 58 -5.342 -4.872 -6.814 1.00 0.00 N ATOM 910 CA LEU A 58 -4.238 -5.342 -5.982 1.00 0.00 C ATOM 911 C LEU A 58 -3.705 -6.680 -6.485 1.00 0.00 C ATOM 912 O LEU A 58 -2.499 -6.848 -6.670 1.00 0.00 O ATOM 913 CB LEU A 58 -4.699 -5.460 -4.526 1.00 0.00 C ATOM 914 CG LEU A 58 -3.716 -6.139 -3.567 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.326 -5.530 -3.685 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.221 -6.024 -2.140 1.00 0.00 C ATOM 0 H LEU A 58 -6.164 -4.572 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.426 -4.617 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.911 -4.459 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.638 -6.014 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.646 -7.192 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.649 -6.031 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.960 -5.654 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.372 -4.468 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.516 -6.509 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.316 -4.972 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.194 -6.508 -2.058 1.00 0.00 H new ATOM 928 N ARG A 59 -4.608 -7.630 -6.700 1.00 0.00 N ATOM 929 CA ARG A 59 -4.209 -8.937 -7.203 1.00 0.00 C ATOM 930 C ARG A 59 -3.428 -8.775 -8.501 1.00 0.00 C ATOM 931 O ARG A 59 -2.409 -9.432 -8.716 1.00 0.00 O ATOM 932 CB ARG A 59 -5.437 -9.819 -7.437 1.00 0.00 C ATOM 933 CG ARG A 59 -6.252 -10.074 -6.179 1.00 0.00 C ATOM 934 CD ARG A 59 -7.471 -10.936 -6.472 1.00 0.00 C ATOM 935 NE ARG A 59 -7.101 -12.234 -7.029 1.00 0.00 N ATOM 936 CZ ARG A 59 -7.983 -13.122 -7.478 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.281 -12.853 -7.437 1.00 0.00 N ATOM 938 NH2 ARG A 59 -7.567 -14.282 -7.971 1.00 0.00 N ATOM 0 H ARG A 59 -5.609 -7.521 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.573 -9.419 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.075 -9.348 -8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.114 -10.774 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.628 -10.566 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.571 -9.123 -5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.040 -11.084 -5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.125 -10.414 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.111 -12.473 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.606 -11.962 -7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.955 -13.537 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.570 -14.493 -8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.245 -14.962 -8.315 1.00 0.00 H new ATOM 952 N SER A 60 -3.922 -7.891 -9.363 1.00 0.00 N ATOM 953 CA SER A 60 -3.260 -7.637 -10.636 1.00 0.00 C ATOM 954 C SER A 60 -1.844 -7.113 -10.415 1.00 0.00 C ATOM 955 O SER A 60 -0.951 -7.359 -11.225 1.00 0.00 O ATOM 956 CB SER A 60 -4.063 -6.637 -11.468 1.00 0.00 C ATOM 957 OG SER A 60 -3.441 -6.396 -12.717 1.00 0.00 O ATOM 0 H SER A 60 -4.769 -7.345 -9.205 1.00 0.00 H new ATOM 0 HA SER A 60 -3.201 -8.580 -11.179 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.071 -7.019 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.161 -5.700 -10.920 1.00 0.00 H new ATOM 0 HG SER A 60 -3.975 -5.754 -13.230 1.00 0.00 H new ATOM 963 N LEU A 61 -1.642 -6.386 -9.317 1.00 0.00 N ATOM 964 CA LEU A 61 -0.321 -5.848 -9.012 1.00 0.00 C ATOM 965 C LEU A 61 0.663 -6.972 -8.715 1.00 0.00 C ATOM 966 O LEU A 61 1.845 -6.873 -9.046 1.00 0.00 O ATOM 967 CB LEU A 61 -0.375 -4.865 -7.841 1.00 0.00 C ATOM 968 CG LEU A 61 -0.664 -3.418 -8.236 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.163 -3.169 -8.314 1.00 0.00 C ATOM 970 CD2 LEU A 61 -0.005 -2.461 -7.258 1.00 0.00 C ATOM 0 H LEU A 61 -2.365 -6.159 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 61 0.024 -5.305 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.142 -5.196 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.577 -4.900 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.243 -3.240 -9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.345 -2.132 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.604 -3.831 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.615 -3.365 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.220 -1.434 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.394 -2.640 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.073 -2.621 -7.262 1.00 0.00 H new ATOM 982 N LEU A 62 0.175 -8.038 -8.085 1.00 0.00 N ATOM 983 CA LEU A 62 1.016 -9.186 -7.777 1.00 0.00 C ATOM 984 C LEU A 62 1.673 -9.667 -9.057 1.00 0.00 C ATOM 985 O LEU A 62 2.832 -10.083 -9.070 1.00 0.00 O ATOM 986 CB LEU A 62 0.179 -10.315 -7.178 1.00 0.00 C ATOM 987 CG LEU A 62 -0.608 -9.960 -5.913 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.760 -10.933 -5.723 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.301 -9.979 -4.692 1.00 0.00 C ATOM 0 H LEU A 62 -0.794 -8.128 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 62 1.774 -8.893 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.524 -10.662 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.840 -11.151 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.010 -8.953 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.312 -10.671 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.426 -10.881 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.369 -11.946 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.277 -9.724 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.729 -10.974 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.103 -9.252 -4.824 1.00 0.00 H new ATOM 1001 N HIS A 63 0.901 -9.599 -10.134 1.00 0.00 N ATOM 1002 CA HIS A 63 1.371 -10.003 -11.445 1.00 0.00 C ATOM 1003 C HIS A 63 2.493 -9.082 -11.910 1.00 0.00 C ATOM 1004 O HIS A 63 3.434 -9.518 -12.572 1.00 0.00 O ATOM 1005 CB HIS A 63 0.210 -9.968 -12.435 1.00 0.00 C ATOM 1006 CG HIS A 63 0.579 -10.412 -13.818 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.388 -11.702 -14.269 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.127 -9.731 -14.852 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.804 -11.794 -15.520 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.255 -10.612 -15.897 1.00 0.00 N ATOM 0 H HIS A 63 -0.062 -9.264 -10.120 1.00 0.00 H new ATOM 0 HA HIS A 63 1.762 -11.019 -11.389 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.593 -10.604 -12.062 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.184 -8.953 -12.483 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.411 -8.689 -14.854 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.779 -12.685 -16.130 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.637 -10.389 -16.816 1.00 0.00 H new ATOM 1019 N ARG A 64 2.383 -7.803 -11.557 1.00 0.00 N ATOM 1020 CA ARG A 64 3.394 -6.827 -11.930 1.00 0.00 C ATOM 1021 C ARG A 64 4.637 -6.993 -11.065 1.00 0.00 C ATOM 1022 O ARG A 64 5.657 -6.346 -11.299 1.00 0.00 O ATOM 1023 CB ARG A 64 2.836 -5.411 -11.784 1.00 0.00 C ATOM 1024 CG ARG A 64 1.608 -5.148 -12.643 1.00 0.00 C ATOM 1025 CD ARG A 64 1.941 -5.191 -14.125 1.00 0.00 C ATOM 1026 NE ARG A 64 0.771 -4.926 -14.957 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.815 -4.820 -16.282 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.967 -4.958 -16.924 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.295 -4.577 -16.966 1.00 0.00 N ATOM 0 H ARG A 64 1.606 -7.423 -11.016 1.00 0.00 H new ATOM 0 HA ARG A 64 3.671 -6.992 -12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.582 -5.236 -10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.614 -4.694 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.842 -5.891 -12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.190 -4.173 -12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.715 -4.456 -14.344 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.350 -6.170 -14.376 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.132 -4.816 -14.496 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.823 -5.146 -16.402 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.997 -4.876 -17.940 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.183 -4.471 -16.476 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.260 -4.496 -17.982 1.00 0.00 H new ATOM 1043 N ASN A 65 4.533 -7.864 -10.060 1.00 0.00 N ATOM 1044 CA ASN A 65 5.648 -8.133 -9.154 1.00 0.00 C ATOM 1045 C ASN A 65 5.951 -6.928 -8.266 1.00 0.00 C ATOM 1046 O ASN A 65 7.077 -6.762 -7.797 1.00 0.00 O ATOM 1047 CB ASN A 65 6.898 -8.536 -9.941 1.00 0.00 C ATOM 1048 CG ASN A 65 6.676 -9.783 -10.777 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.288 -9.954 -11.831 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.796 -10.662 -10.309 1.00 0.00 N ATOM 0 H ASN A 65 3.687 -8.395 -9.854 1.00 0.00 H new ATOM 0 HA ASN A 65 5.354 -8.961 -8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.196 -7.714 -10.591 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.721 -8.708 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.606 -11.519 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.311 -10.480 -9.430 1.00 0.00 H new ATOM 1057 N LEU A 66 4.940 -6.094 -8.036 1.00 0.00 N ATOM 1058 CA LEU A 66 5.106 -4.920 -7.183 1.00 0.00 C ATOM 1059 C LEU A 66 4.669 -5.246 -5.763 1.00 0.00 C ATOM 1060 O LEU A 66 5.064 -4.583 -4.804 1.00 0.00 O ATOM 1061 CB LEU A 66 4.300 -3.734 -7.706 1.00 0.00 C ATOM 1062 CG LEU A 66 4.405 -3.459 -9.212 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.064 -2.010 -9.503 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.796 -3.781 -9.739 1.00 0.00 C ATOM 0 H LEU A 66 4.004 -6.208 -8.425 1.00 0.00 H new ATOM 0 HA LEU A 66 6.161 -4.646 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.251 -3.896 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.619 -2.840 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 66 3.692 -4.107 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.142 -1.826 -10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.046 -1.802 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.758 -1.359 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.836 -3.575 -10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.532 -3.165 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.017 -4.834 -9.564 1.00 0.00 H new ATOM 1076 N VAL A 67 3.842 -6.276 -5.649 1.00 0.00 N ATOM 1077 CA VAL A 67 3.348 -6.735 -4.361 1.00 0.00 C ATOM 1078 C VAL A 67 3.565 -8.238 -4.224 1.00 0.00 C ATOM 1079 O VAL A 67 3.940 -8.906 -5.187 1.00 0.00 O ATOM 1080 CB VAL A 67 1.853 -6.407 -4.171 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.660 -4.921 -3.916 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.057 -6.843 -5.382 1.00 0.00 C ATOM 0 H VAL A 67 3.497 -6.814 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 67 3.908 -6.209 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 67 1.489 -6.955 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.599 -4.709 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.202 -4.633 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.041 -4.354 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.004 -6.604 -5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.424 -6.321 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.168 -7.918 -5.523 1.00 0.00 H new ATOM 1092 N LEU A 68 3.330 -8.768 -3.030 1.00 0.00 N ATOM 1093 CA LEU A 68 3.527 -10.193 -2.785 1.00 0.00 C ATOM 1094 C LEU A 68 2.291 -10.809 -2.138 1.00 0.00 C ATOM 1095 O LEU A 68 1.771 -10.273 -1.166 1.00 0.00 O ATOM 1096 CB LEU A 68 4.742 -10.389 -1.875 1.00 0.00 C ATOM 1097 CG LEU A 68 5.482 -11.722 -2.033 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.796 -11.691 -1.268 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.620 -12.879 -1.555 1.00 0.00 C ATOM 0 H LEU A 68 3.005 -8.238 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 68 3.697 -10.692 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.447 -9.579 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.416 -10.296 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 68 5.696 -11.870 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.310 -12.644 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.424 -10.888 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.597 -11.518 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.166 -13.814 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.372 -12.738 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.702 -12.916 -2.142 1.00 0.00 H new ATOM 1111 N ARG A 69 1.828 -11.936 -2.682 1.00 0.00 N ATOM 1112 CA ARG A 69 0.653 -12.621 -2.138 1.00 0.00 C ATOM 1113 C ARG A 69 1.060 -13.876 -1.373 1.00 0.00 C ATOM 1114 O ARG A 69 2.084 -14.490 -1.669 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.328 -12.992 -3.252 1.00 0.00 C ATOM 1116 CG ARG A 69 0.339 -13.604 -4.469 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.649 -14.401 -5.303 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.024 -14.979 -6.489 1.00 0.00 N ATOM 1119 CZ ARG A 69 -0.685 -15.683 -7.404 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -1.988 -15.894 -7.268 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.044 -16.176 -8.454 1.00 0.00 N ATOM 0 H ARG A 69 2.245 -12.392 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 69 0.161 -11.933 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.063 -13.695 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.873 -12.099 -3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.779 -12.815 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.155 -14.253 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.077 -15.198 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.472 -13.754 -5.606 1.00 0.00 H new ATOM 0 HE ARG A 69 0.977 -14.835 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.484 -15.516 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.493 -16.434 -7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.958 -16.016 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.552 -16.716 -9.155 1.00 0.00 H new ATOM 1135 N THR A 70 0.248 -14.254 -0.389 1.00 0.00 N ATOM 1136 CA THR A 70 0.542 -15.428 0.425 1.00 0.00 C ATOM 1137 C THR A 70 -0.652 -16.365 0.561 1.00 0.00 C ATOM 1138 O THR A 70 -1.677 -16.213 -0.105 1.00 0.00 O ATOM 1139 CB THR A 70 1.055 -15.076 1.832 1.00 0.00 C ATOM 1140 OG1 THR A 70 -0.028 -14.664 2.665 1.00 0.00 O ATOM 1141 CG2 THR A 70 2.106 -13.985 1.771 1.00 0.00 C ATOM 0 H THR A 70 -0.613 -13.768 -0.138 1.00 0.00 H new ATOM 0 HA THR A 70 1.337 -15.939 -0.119 1.00 0.00 H new ATOM 0 HB THR A 70 1.512 -15.969 2.257 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.396 -15.443 3.133 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.451 -13.756 2.779 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.948 -14.324 1.167 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.675 -13.090 1.323 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.465 -17.337 1.440 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.428 -18.396 1.730 1.00 0.00 C ATOM 1151 C HIS A 71 -2.894 -18.032 1.444 1.00 0.00 C ATOM 1152 O HIS A 71 -3.544 -18.738 0.674 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.297 -18.684 3.220 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.906 -20.084 3.552 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.661 -21.189 3.219 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.184 -20.553 4.198 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -1.050 -22.280 3.648 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.072 -21.921 4.246 1.00 0.00 N ATOM 0 H HIS A 71 0.389 -17.416 1.992 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.200 -19.241 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.558 -18.004 3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.248 -18.462 3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.993 -19.962 4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.407 -23.292 3.530 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.746 -22.556 4.674 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.387 -16.945 2.064 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.787 -16.487 1.866 1.00 0.00 C ATOM 1169 C GLN A 72 -5.524 -16.406 3.212 1.00 0.00 C ATOM 1170 O GLN A 72 -5.668 -17.423 3.891 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.586 -17.395 0.922 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.014 -16.928 0.691 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.782 -17.844 -0.242 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.426 -18.797 0.196 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.717 -17.558 -1.538 1.00 0.00 N ATOM 0 H GLN A 72 -2.845 -16.365 2.705 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.719 -15.500 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.071 -17.450 -0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.605 -18.405 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.533 -16.871 1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.000 -15.920 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.171 -16.758 -1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.213 -18.139 -2.214 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.009 -15.206 3.633 1.00 0.00 N ATOM 1185 CA PRO A 73 -5.872 -13.944 2.883 1.00 0.00 C ATOM 1186 C PRO A 73 -4.429 -13.669 2.504 1.00 0.00 C ATOM 1187 O PRO A 73 -3.564 -13.533 3.369 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.380 -12.886 3.865 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.307 -13.623 4.765 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.737 -15.008 4.900 1.00 0.00 C ATOM 0 HA PRO A 73 -6.422 -13.961 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.559 -12.437 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.892 -12.076 3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.379 -13.134 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.314 -13.654 4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.073 -15.087 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.521 -15.753 5.033 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.176 -13.596 1.202 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.824 -13.388 0.727 1.00 0.00 C ATOM 1200 C ALA A 74 -2.178 -12.177 1.373 1.00 0.00 C ATOM 1201 O ALA A 74 -2.497 -11.038 1.040 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.817 -13.244 -0.786 1.00 0.00 C ATOM 0 H ALA A 74 -4.882 -13.677 0.470 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.237 -14.262 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.795 -13.088 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.219 -14.150 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.431 -12.391 -1.073 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.271 -12.434 2.304 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.554 -11.358 2.965 1.00 0.00 C ATOM 1210 C ARG A 75 0.194 -10.573 1.895 1.00 0.00 C ATOM 1211 O ARG A 75 0.896 -11.159 1.073 1.00 0.00 O ATOM 1212 CB ARG A 75 0.418 -11.943 3.995 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.254 -12.875 4.998 1.00 0.00 C ATOM 1214 CD ARG A 75 0.723 -13.897 5.569 1.00 0.00 C ATOM 1215 NE ARG A 75 0.206 -14.523 6.783 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.839 -15.491 7.440 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.005 -15.944 7.000 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.304 -16.008 8.539 1.00 0.00 N ATOM 0 H ARG A 75 -1.017 -13.371 2.616 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.241 -10.697 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.204 -12.488 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.900 -11.127 4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.680 -12.287 5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.081 -13.395 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.924 -14.665 4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.673 -13.409 5.788 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.690 -14.200 7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.419 -15.550 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.488 -16.686 7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.593 -15.663 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.790 -16.750 9.042 1.00 0.00 H new ATOM 1232 N TYR A 76 0.047 -9.253 1.897 1.00 0.00 N ATOM 1233 CA TYR A 76 0.699 -8.457 0.868 1.00 0.00 C ATOM 1234 C TYR A 76 1.936 -7.737 1.376 1.00 0.00 C ATOM 1235 O TYR A 76 1.970 -7.233 2.496 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.297 -7.476 0.253 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.447 -8.179 -0.430 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.252 -8.858 -1.625 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.721 -8.179 0.125 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.292 -9.518 -2.252 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.768 -8.836 -0.496 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.548 -9.503 -1.684 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.588 -10.159 -2.303 1.00 0.00 O ATOM 0 H TYR A 76 -0.500 -8.726 2.577 1.00 0.00 H new ATOM 0 HA TYR A 76 1.044 -9.145 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.686 -6.820 1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.219 -6.842 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.269 -8.871 -2.073 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.896 -7.658 1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.122 -10.042 -3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.753 -8.827 -0.053 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.405 -10.052 -1.772 1.00 0.00 H new ATOM 1253 N SER A 77 2.952 -7.702 0.521 1.00 0.00 N ATOM 1254 CA SER A 77 4.218 -7.061 0.848 1.00 0.00 C ATOM 1255 C SER A 77 4.822 -6.406 -0.387 1.00 0.00 C ATOM 1256 O SER A 77 4.749 -6.948 -1.489 1.00 0.00 O ATOM 1257 CB SER A 77 5.198 -8.084 1.424 1.00 0.00 C ATOM 1258 OG SER A 77 4.663 -8.713 2.574 1.00 0.00 O ATOM 0 H SER A 77 2.921 -8.114 -0.411 1.00 0.00 H new ATOM 0 HA SER A 77 4.027 -6.291 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.429 -8.836 0.669 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.136 -7.590 1.679 1.00 0.00 H new ATOM 0 HG SER A 77 5.084 -8.341 3.377 1.00 0.00 H new ATOM 1264 N LEU A 78 5.420 -5.237 -0.195 1.00 0.00 N ATOM 1265 CA LEU A 78 6.036 -4.510 -1.296 1.00 0.00 C ATOM 1266 C LEU A 78 7.284 -5.212 -1.816 1.00 0.00 C ATOM 1267 O LEU A 78 8.203 -5.507 -1.050 1.00 0.00 O ATOM 1268 CB LEU A 78 6.428 -3.105 -0.845 1.00 0.00 C ATOM 1269 CG LEU A 78 5.299 -2.085 -0.751 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.881 -0.705 -0.506 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.456 -2.085 -2.014 1.00 0.00 C ATOM 0 H LEU A 78 5.491 -4.773 0.711 1.00 0.00 H new ATOM 0 HA LEU A 78 5.299 -4.465 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.903 -3.180 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.179 -2.721 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 78 4.651 -2.358 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.073 0.024 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.445 -0.708 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.543 -0.438 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.658 -1.348 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.083 -1.833 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.021 -3.074 -2.161 1.00 0.00 H new ATOM 1283 N THR A 79 7.315 -5.478 -3.116 1.00 0.00 N ATOM 1284 CA THR A 79 8.483 -6.098 -3.715 1.00 0.00 C ATOM 1285 C THR A 79 9.475 -4.995 -4.103 1.00 0.00 C ATOM 1286 O THR A 79 9.181 -3.824 -3.892 1.00 0.00 O ATOM 1287 CB THR A 79 8.083 -6.936 -4.946 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.685 -6.790 -5.198 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.402 -8.410 -4.732 1.00 0.00 C ATOM 0 H THR A 79 6.555 -5.276 -3.765 1.00 0.00 H new ATOM 0 HA THR A 79 8.951 -6.774 -2.999 1.00 0.00 H new ATOM 0 HB THR A 79 8.655 -6.575 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.340 -7.609 -5.611 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.110 -8.978 -5.615 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.472 -8.530 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.853 -8.779 -3.866 1.00 0.00 H new ATOM 1297 N PRO A 80 10.658 -5.324 -4.661 1.00 0.00 N ATOM 1298 CA PRO A 80 11.649 -4.309 -5.043 1.00 0.00 C ATOM 1299 C PRO A 80 11.048 -3.107 -5.762 1.00 0.00 C ATOM 1300 O PRO A 80 11.374 -1.963 -5.446 1.00 0.00 O ATOM 1301 CB PRO A 80 12.559 -5.080 -5.989 1.00 0.00 C ATOM 1302 CG PRO A 80 12.547 -6.468 -5.456 1.00 0.00 C ATOM 1303 CD PRO A 80 11.154 -6.692 -4.928 1.00 0.00 C ATOM 0 HA PRO A 80 12.142 -3.881 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.190 -5.044 -7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.567 -4.666 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.790 -7.189 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.289 -6.590 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.528 -7.210 -5.655 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.161 -7.299 -4.023 1.00 0.00 H new ATOM 1311 N GLU A 81 10.176 -3.363 -6.725 1.00 0.00 N ATOM 1312 CA GLU A 81 9.550 -2.287 -7.482 1.00 0.00 C ATOM 1313 C GLU A 81 8.539 -1.517 -6.636 1.00 0.00 C ATOM 1314 O GLU A 81 8.559 -0.289 -6.606 1.00 0.00 O ATOM 1315 CB GLU A 81 8.873 -2.843 -8.731 1.00 0.00 C ATOM 1316 CG GLU A 81 9.819 -3.580 -9.664 1.00 0.00 C ATOM 1317 CD GLU A 81 10.976 -2.716 -10.126 1.00 0.00 C ATOM 1318 OE1 GLU A 81 10.833 -2.039 -11.166 1.00 0.00 O ATOM 1319 OE2 GLU A 81 12.025 -2.715 -9.448 1.00 0.00 O ATOM 0 H GLU A 81 9.886 -4.301 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 81 10.335 -1.592 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.074 -3.520 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.406 -2.022 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.210 -4.462 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.264 -3.932 -10.534 1.00 0.00 H new ATOM 1326 N GLY A 82 7.651 -2.236 -5.954 1.00 0.00 N ATOM 1327 CA GLY A 82 6.668 -1.553 -5.129 1.00 0.00 C ATOM 1328 C GLY A 82 7.318 -0.782 -4.005 1.00 0.00 C ATOM 1329 O GLY A 82 6.767 0.202 -3.518 1.00 0.00 O ATOM 0 H GLY A 82 7.593 -3.254 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.085 -0.871 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.972 -2.282 -4.715 1.00 0.00 H new ATOM 1333 N LEU A 83 8.497 -1.234 -3.597 1.00 0.00 N ATOM 1334 CA LEU A 83 9.235 -0.585 -2.525 1.00 0.00 C ATOM 1335 C LEU A 83 9.726 0.777 -2.977 1.00 0.00 C ATOM 1336 O LEU A 83 9.479 1.788 -2.321 1.00 0.00 O ATOM 1337 CB LEU A 83 10.426 -1.448 -2.102 1.00 0.00 C ATOM 1338 CG LEU A 83 10.643 -1.572 -0.590 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.892 -0.209 0.036 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.448 -2.241 0.065 1.00 0.00 C ATOM 0 H LEU A 83 8.962 -2.050 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 83 8.567 -0.459 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.294 -2.448 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.330 -1.034 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 83 11.525 -2.191 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.043 -0.324 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.780 0.239 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.032 0.436 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.619 -2.321 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.553 -1.646 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.313 -3.237 -0.356 1.00 0.00 H new ATOM 1352 N GLU A 84 10.420 0.796 -4.108 1.00 0.00 N ATOM 1353 CA GLU A 84 10.949 2.047 -4.643 1.00 0.00 C ATOM 1354 C GLU A 84 9.823 2.971 -5.063 1.00 0.00 C ATOM 1355 O GLU A 84 9.813 4.157 -4.731 1.00 0.00 O ATOM 1356 CB GLU A 84 11.860 1.779 -5.836 1.00 0.00 C ATOM 1357 CG GLU A 84 11.239 0.876 -6.881 1.00 0.00 C ATOM 1358 CD GLU A 84 12.096 0.741 -8.125 1.00 0.00 C ATOM 1359 OE1 GLU A 84 11.925 1.557 -9.055 1.00 0.00 O ATOM 1360 OE2 GLU A 84 12.938 -0.179 -8.169 1.00 0.00 O ATOM 0 H GLU A 84 10.629 -0.030 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 84 11.527 2.529 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.126 2.729 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.786 1.327 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.074 -0.111 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.261 1.269 -7.160 1.00 0.00 H new ATOM 1367 N LEU A 85 8.878 2.412 -5.797 1.00 0.00 N ATOM 1368 CA LEU A 85 7.744 3.187 -6.259 1.00 0.00 C ATOM 1369 C LEU A 85 7.026 3.811 -5.070 1.00 0.00 C ATOM 1370 O LEU A 85 6.729 5.003 -5.068 1.00 0.00 O ATOM 1371 CB LEU A 85 6.780 2.298 -7.049 1.00 0.00 C ATOM 1372 CG LEU A 85 6.333 2.857 -8.400 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.460 1.849 -9.131 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.589 4.171 -8.218 1.00 0.00 C ATOM 0 H LEU A 85 8.873 1.433 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 85 8.102 3.980 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.256 1.331 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.895 2.118 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 85 7.221 3.047 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.151 2.264 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.025 0.932 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.578 1.628 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.280 4.552 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.709 4.008 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.244 4.897 -7.736 1.00 0.00 H new ATOM 1386 N ALA A 86 6.775 2.995 -4.048 1.00 0.00 N ATOM 1387 CA ALA A 86 6.090 3.469 -2.848 1.00 0.00 C ATOM 1388 C ALA A 86 6.837 4.633 -2.215 1.00 0.00 C ATOM 1389 O ALA A 86 6.219 5.570 -1.710 1.00 0.00 O ATOM 1390 CB ALA A 86 5.923 2.341 -1.843 1.00 0.00 C ATOM 0 H ALA A 86 7.034 2.009 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 86 5.102 3.819 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.411 2.716 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.335 1.539 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.903 1.958 -1.560 1.00 0.00 H new ATOM 1396 N GLN A 87 8.166 4.571 -2.237 1.00 0.00 N ATOM 1397 CA GLN A 87 8.971 5.647 -1.675 1.00 0.00 C ATOM 1398 C GLN A 87 8.591 6.957 -2.344 1.00 0.00 C ATOM 1399 O GLN A 87 8.607 8.018 -1.722 1.00 0.00 O ATOM 1400 CB GLN A 87 10.463 5.374 -1.876 1.00 0.00 C ATOM 1401 CG GLN A 87 10.994 4.224 -1.036 1.00 0.00 C ATOM 1402 CD GLN A 87 12.470 3.968 -1.265 1.00 0.00 C ATOM 1403 OE1 GLN A 87 12.849 3.184 -2.136 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.314 4.628 -0.481 1.00 0.00 N ATOM 0 H GLN A 87 8.701 3.798 -2.633 1.00 0.00 H new ATOM 0 HA GLN A 87 8.778 5.708 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.645 5.157 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.024 6.277 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.826 4.442 0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.432 3.319 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.957 5.268 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.320 4.495 -0.588 1.00 0.00 H new ATOM 1413 N LYS A 88 8.248 6.858 -3.622 1.00 0.00 N ATOM 1414 CA LYS A 88 7.846 8.027 -4.389 1.00 0.00 C ATOM 1415 C LYS A 88 6.466 8.508 -3.957 1.00 0.00 C ATOM 1416 O LYS A 88 6.268 9.690 -3.675 1.00 0.00 O ATOM 1417 CB LYS A 88 7.833 7.690 -5.874 1.00 0.00 C ATOM 1418 CG LYS A 88 9.064 6.926 -6.332 1.00 0.00 C ATOM 1419 CD LYS A 88 9.064 6.708 -7.836 1.00 0.00 C ATOM 1420 CE LYS A 88 10.239 5.847 -8.274 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.258 5.642 -9.749 1.00 0.00 N ATOM 0 H LYS A 88 8.240 5.983 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 88 8.564 8.826 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.945 7.099 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.754 8.614 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.961 7.475 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.103 5.962 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.131 6.231 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.108 7.671 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.171 6.318 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.187 4.880 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.074 5.050 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.380 5.170 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.334 6.563 -10.227 1.00 0.00 H new ATOM 1435 N LEU A 89 5.513 7.580 -3.916 1.00 0.00 N ATOM 1436 CA LEU A 89 4.157 7.909 -3.509 1.00 0.00 C ATOM 1437 C LEU A 89 4.166 8.571 -2.140 1.00 0.00 C ATOM 1438 O LEU A 89 3.270 9.343 -1.795 1.00 0.00 O ATOM 1439 CB LEU A 89 3.311 6.635 -3.460 1.00 0.00 C ATOM 1440 CG LEU A 89 2.864 6.089 -4.819 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.053 5.813 -5.721 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.038 4.824 -4.636 1.00 0.00 C ATOM 0 H LEU A 89 5.657 6.600 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 89 3.728 8.602 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.881 5.861 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.424 6.831 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 89 2.247 6.849 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.702 5.426 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.608 6.737 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.704 5.077 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.728 4.448 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.638 4.068 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.156 5.049 -4.036 1.00 0.00 H new ATOM 1454 N ALA A 90 5.195 8.254 -1.371 1.00 0.00 N ATOM 1455 CA ALA A 90 5.345 8.796 -0.025 1.00 0.00 C ATOM 1456 C ALA A 90 5.841 10.238 -0.053 1.00 0.00 C ATOM 1457 O ALA A 90 5.487 11.040 0.811 1.00 0.00 O ATOM 1458 CB ALA A 90 6.291 7.922 0.779 1.00 0.00 C ATOM 0 H ALA A 90 5.943 7.622 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 90 4.365 8.798 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.399 8.331 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.888 6.911 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.265 7.895 0.291 1.00 0.00 H new ATOM 1464 N GLU A 91 6.664 10.556 -1.044 1.00 0.00 N ATOM 1465 CA GLU A 91 7.201 11.907 -1.173 1.00 0.00 C ATOM 1466 C GLU A 91 6.067 12.919 -1.225 1.00 0.00 C ATOM 1467 O GLU A 91 6.110 13.962 -0.571 1.00 0.00 O ATOM 1468 CB GLU A 91 8.052 12.039 -2.434 1.00 0.00 C ATOM 1469 CG GLU A 91 8.991 10.873 -2.644 1.00 0.00 C ATOM 1470 CD GLU A 91 9.818 11.008 -3.908 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.283 10.727 -5.001 1.00 0.00 O ATOM 1472 OE2 GLU A 91 11.001 11.393 -3.804 1.00 0.00 O ATOM 0 H GLU A 91 6.973 9.904 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 91 7.828 12.103 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.396 12.129 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.633 12.959 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.658 10.790 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.413 9.950 -2.690 1.00 0.00 H new ATOM 1479 N SER A 92 5.055 12.591 -2.015 1.00 0.00 N ATOM 1480 CA SER A 92 3.894 13.452 -2.177 1.00 0.00 C ATOM 1481 C SER A 92 3.144 13.626 -0.858 1.00 0.00 C ATOM 1482 O SER A 92 2.495 14.648 -0.635 1.00 0.00 O ATOM 1483 CB SER A 92 2.967 12.862 -3.238 1.00 0.00 C ATOM 1484 OG SER A 92 1.838 13.691 -3.452 1.00 0.00 O ATOM 0 H SER A 92 5.016 11.728 -2.557 1.00 0.00 H new ATOM 0 HA SER A 92 4.235 14.437 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.513 12.739 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.639 11.870 -2.927 1.00 0.00 H new ATOM 0 HG SER A 92 1.263 13.290 -4.137 1.00 0.00 H new ATOM 1490 N GLU A 93 3.235 12.624 0.013 1.00 0.00 N ATOM 1491 CA GLU A 93 2.565 12.682 1.302 1.00 0.00 C ATOM 1492 C GLU A 93 3.433 13.405 2.321 1.00 0.00 C ATOM 1493 O GLU A 93 3.032 13.602 3.469 1.00 0.00 O ATOM 1494 CB GLU A 93 2.275 11.268 1.799 1.00 0.00 C ATOM 1495 CG GLU A 93 1.595 10.386 0.767 1.00 0.00 C ATOM 1496 CD GLU A 93 0.178 10.828 0.461 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.754 10.354 1.144 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.001 11.648 -0.464 1.00 0.00 O ATOM 0 H GLU A 93 3.764 11.768 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 93 1.629 13.228 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.211 10.800 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.645 11.326 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.180 10.393 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.580 9.357 1.127 1.00 0.00 H new ATOM 1505 N GLY A 94 4.626 13.798 1.892 1.00 0.00 N ATOM 1506 CA GLY A 94 5.533 14.469 2.800 1.00 0.00 C ATOM 1507 C GLY A 94 6.272 13.467 3.658 1.00 0.00 C ATOM 1508 O GLY A 94 7.003 13.835 4.580 1.00 0.00 O ATOM 0 H GLY A 94 4.978 13.666 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.247 15.066 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.976 15.158 3.435 1.00 0.00 H new ATOM 1512 N LEU A 95 6.070 12.191 3.341 1.00 0.00 N ATOM 1513 CA LEU A 95 6.700 11.099 4.067 1.00 0.00 C ATOM 1514 C LEU A 95 6.363 11.183 5.553 1.00 0.00 C ATOM 1515 O LEU A 95 7.217 11.481 6.388 1.00 0.00 O ATOM 1516 CB LEU A 95 8.215 11.115 3.836 1.00 0.00 C ATOM 1517 CG LEU A 95 8.951 9.789 4.082 1.00 0.00 C ATOM 1518 CD1 LEU A 95 8.959 9.425 5.559 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.321 8.670 3.265 1.00 0.00 C ATOM 0 H LEU A 95 5.467 11.889 2.576 1.00 0.00 H new ATOM 0 HA LEU A 95 6.312 10.152 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.402 11.425 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.653 11.875 4.483 1.00 0.00 H new ATOM 0 HG LEU A 95 9.985 9.919 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.487 8.482 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.462 10.210 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.934 9.322 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.855 7.738 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.276 8.553 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.380 8.916 2.205 1.00 0.00 H new ATOM 1531 N SER A 96 5.092 10.955 5.860 1.00 0.00 N ATOM 1532 CA SER A 96 4.637 10.994 7.242 1.00 0.00 C ATOM 1533 C SER A 96 3.842 9.738 7.573 1.00 0.00 C ATOM 1534 O SER A 96 2.859 9.786 8.313 1.00 0.00 O ATOM 1535 CB SER A 96 3.782 12.240 7.484 1.00 0.00 C ATOM 1536 OG SER A 96 3.360 12.318 8.834 1.00 0.00 O ATOM 0 H SER A 96 4.365 10.743 5.177 1.00 0.00 H new ATOM 0 HA SER A 96 5.509 11.036 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.353 13.132 7.227 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.911 12.220 6.829 1.00 0.00 H new ATOM 0 HG SER A 96 2.887 11.495 9.077 1.00 0.00 H new ATOM 1542 N LEU A 97 4.285 8.610 7.029 1.00 0.00 N ATOM 1543 CA LEU A 97 3.606 7.347 7.274 1.00 0.00 C ATOM 1544 C LEU A 97 4.185 6.669 8.510 1.00 0.00 C ATOM 1545 O LEU A 97 3.555 6.643 9.568 1.00 0.00 O ATOM 1546 CB LEU A 97 3.735 6.422 6.059 1.00 0.00 C ATOM 1547 CG LEU A 97 3.185 6.984 4.745 1.00 0.00 C ATOM 1548 CD1 LEU A 97 4.144 8.005 4.144 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.921 5.857 3.759 1.00 0.00 C ATOM 0 H LEU A 97 5.102 8.546 6.422 1.00 0.00 H new ATOM 0 HA LEU A 97 2.549 7.552 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.788 6.180 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.219 5.487 6.279 1.00 0.00 H new ATOM 0 HG LEU A 97 2.244 7.490 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.730 8.389 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.285 8.828 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.104 7.529 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.530 6.271 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.851 5.325 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.192 5.166 4.183 1.00 0.00 H new