USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 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 2 LYS NZ :NH3+ 168:sc= 0.0891 (180deg=0.0719) USER MOD Single : A 9 SER OG : rot 62:sc= 0.871 USER MOD Single : A 11 GLN : amide:sc= -14.7! C(o=-15!,f=-24!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -6.85! C(o=-6.8!,f=-9.3!) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.783 F(o=-1.9!,f=-0.78) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 26 SER OG : rot 180:sc= -0.417 USER MOD Single : A 28 GLN : amide:sc= -0.657 X(o=-0.66,f=-0.29) USER MOD Single : A 31 THR OG1 : rot 9:sc= 0.379 USER MOD Single : A 32 SER OG : rot -72:sc= 0.0129 USER MOD Single : A 38 SER OG : rot -129:sc= -2.75! USER MOD Single : A 39 GLN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.898 F(o=-2.1,f=-0.9) USER MOD Single : A 55 SER OG : rot 5:sc= 0.268 USER MOD Single : A 60 MET CE :methyl 172:sc= -9.22! (180deg=-9.73!) USER MOD Single : A 61 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.75) USER MOD Single : A 63 SER OG : rot 62:sc= 1.11 USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0176 (180deg=-0.268) USER MOD Single : A 67 ASN : amide:sc= -1.47 K(o=-1.5,f=-2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -3.2! C(o=-3.2!,f=-2.9!) USER MOD Single : A 86 SER OG : rot 70:sc= -1.25 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-4.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 2 -7.768 -10.591 13.551 1.00 1.00 N ATOM 17 CA LYS A 2 -7.403 -9.312 14.138 1.00 1.00 C ATOM 18 C LYS A 2 -5.987 -8.939 13.695 1.00 1.00 C ATOM 19 O LYS A 2 -5.049 -9.712 13.887 1.00 1.00 O ATOM 20 CB LYS A 2 -7.585 -9.347 15.656 1.00 1.00 C ATOM 21 CG LYS A 2 -8.804 -8.528 16.082 1.00 1.00 C ATOM 22 CD LYS A 2 -9.108 -8.729 17.569 1.00 1.00 C ATOM 23 CE LYS A 2 -10.261 -7.829 18.019 1.00 1.00 C ATOM 24 NZ LYS A 2 -9.918 -7.145 19.286 1.00 1.00 N ATOM 0 HA LYS A 2 -8.067 -8.525 13.780 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -7.702 -10.379 15.988 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -6.691 -8.955 16.142 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.624 -7.471 15.884 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.669 -8.821 15.487 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -9.363 -9.773 17.754 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -8.218 -8.509 18.159 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -10.477 -7.091 17.247 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -11.164 -8.424 18.153 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -10.611 -6.393 19.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.933 -7.832 20.067 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -8.968 -6.729 19.210 1.00 1.00 H new ATOM 38 N PRO A 3 -5.872 -7.723 13.097 1.00 1.00 N ATOM 39 CA PRO A 3 -4.586 -7.239 12.627 1.00 1.00 C ATOM 40 C PRO A 3 -3.710 -6.785 13.797 1.00 1.00 C ATOM 41 O PRO A 3 -2.717 -7.434 14.123 1.00 1.00 O ATOM 42 CB PRO A 3 -4.918 -6.113 11.662 1.00 1.00 C ATOM 43 CG PRO A 3 -6.347 -5.700 11.979 1.00 1.00 C ATOM 44 CD PRO A 3 -6.961 -6.781 12.854 1.00 1.00 C ATOM 0 HA PRO A 3 -4.002 -8.013 12.129 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.232 -5.275 11.788 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -4.828 -6.446 10.628 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.362 -4.739 12.493 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -6.922 -5.579 11.061 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.342 -6.366 13.787 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -7.800 -7.266 12.355 1.00 1.00 H new ATOM 52 N ALA A 4 -4.109 -5.672 14.396 1.00 1.00 N ATOM 53 CA ALA A 4 -3.374 -5.124 15.523 1.00 1.00 C ATOM 54 C ALA A 4 -4.079 -3.861 16.020 1.00 1.00 C ATOM 55 O ALA A 4 -5.158 -3.518 15.541 1.00 1.00 O ATOM 56 CB ALA A 4 -1.925 -4.858 15.105 1.00 1.00 C ATOM 0 H ALA A 4 -4.932 -5.135 14.122 1.00 1.00 H new ATOM 0 HA ALA A 4 -3.350 -5.834 16.349 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -1.372 -4.447 15.950 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -1.461 -5.792 14.787 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.909 -4.146 14.280 1.00 1.00 H new ATOM 62 N ALA A 5 -3.439 -3.201 16.975 1.00 1.00 N ATOM 63 CA ALA A 5 -3.991 -1.983 17.542 1.00 1.00 C ATOM 64 C ALA A 5 -3.107 -0.797 17.152 1.00 1.00 C ATOM 65 O ALA A 5 -3.518 0.355 17.276 1.00 1.00 O ATOM 66 CB ALA A 5 -4.121 -2.139 19.059 1.00 1.00 C ATOM 0 H ALA A 5 -2.543 -3.487 17.370 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.989 -1.794 17.147 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.535 -1.225 19.485 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.782 -2.976 19.283 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -3.138 -2.327 19.491 1.00 1.00 H new ATOM 72 N CYS A 6 -1.908 -1.121 16.689 1.00 1.00 N ATOM 73 CA CYS A 6 -0.962 -0.097 16.280 1.00 1.00 C ATOM 74 C CYS A 6 -1.392 0.434 14.911 1.00 1.00 C ATOM 75 O CYS A 6 -0.817 1.399 14.407 1.00 1.00 O ATOM 76 CB CYS A 6 0.473 -0.628 16.261 1.00 1.00 C ATOM 77 SG CYS A 6 1.155 -1.055 17.905 1.00 1.00 S ATOM 0 H CYS A 6 -1.570 -2.078 16.588 1.00 1.00 H new ATOM 0 HA CYS A 6 -0.968 0.718 17.004 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.509 -1.514 15.627 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.117 0.121 15.800 1.00 1.00 H new ATOM 82 N ARG A 7 -2.399 -0.216 14.349 1.00 1.00 N ATOM 83 CA ARG A 7 -2.912 0.179 13.048 1.00 1.00 C ATOM 84 C ARG A 7 -4.397 0.532 13.149 1.00 1.00 C ATOM 85 O ARG A 7 -5.148 0.352 12.191 1.00 1.00 O ATOM 86 CB ARG A 7 -2.730 -0.940 12.021 1.00 1.00 C ATOM 87 CG ARG A 7 -2.259 -2.231 12.693 1.00 1.00 C ATOM 88 CD ARG A 7 -1.493 -3.115 11.708 1.00 1.00 C ATOM 89 NE ARG A 7 -1.604 -4.535 12.109 1.00 1.00 N ATOM 90 CZ ARG A 7 -0.905 -5.531 11.549 1.00 1.00 C ATOM 91 NH1 ARG A 7 -0.039 -5.269 10.560 1.00 1.00 N ATOM 92 NH2 ARG A 7 -1.070 -6.790 11.978 1.00 1.00 N ATOM 0 H ARG A 7 -2.874 -1.014 14.770 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.348 1.052 12.720 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.672 -1.119 11.502 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -2.005 -0.632 11.268 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -1.621 -1.990 13.543 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -3.118 -2.776 13.084 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.890 -2.981 10.702 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -0.445 -2.818 11.679 1.00 1.00 H new ATOM 0 HE ARG A 7 -2.254 -4.770 12.859 1.00 1.00 H new ATOM 0 HH11 ARG A 7 0.088 -4.311 10.234 1.00 1.00 H new ATOM 0 HH12 ARG A 7 0.493 -6.028 10.134 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -1.728 -6.990 12.731 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -0.538 -7.548 11.551 1.00 1.00 H new ATOM 106 N CYS A 8 -4.777 1.028 14.317 1.00 1.00 N ATOM 107 CA CYS A 8 -6.159 1.409 14.555 1.00 1.00 C ATOM 108 C CYS A 8 -6.170 2.602 15.513 1.00 1.00 C ATOM 109 O CYS A 8 -6.877 3.582 15.282 1.00 1.00 O ATOM 110 CB CYS A 8 -6.983 0.238 15.093 1.00 1.00 C ATOM 111 SG CYS A 8 -6.481 -1.406 14.466 1.00 1.00 S ATOM 0 H CYS A 8 -4.152 1.175 15.109 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.628 1.696 13.614 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.914 0.233 16.181 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -8.031 0.403 14.841 1.00 1.00 H new ATOM 116 N SER A 9 -5.380 2.480 16.569 1.00 1.00 N ATOM 117 CA SER A 9 -5.291 3.536 17.563 1.00 1.00 C ATOM 118 C SER A 9 -4.203 4.536 17.167 1.00 1.00 C ATOM 119 O SER A 9 -3.161 4.615 17.816 1.00 1.00 O ATOM 120 CB SER A 9 -5.004 2.962 18.952 1.00 1.00 C ATOM 121 OG SER A 9 -3.623 2.657 19.129 1.00 1.00 O ATOM 0 H SER A 9 -4.795 1.666 16.758 1.00 1.00 H new ATOM 0 HA SER A 9 -6.251 4.050 17.603 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.317 3.678 19.712 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.597 2.059 19.101 1.00 1.00 H new ATOM 0 HG SER A 9 -3.095 3.479 19.057 1.00 1.00 H new ATOM 127 N ARG A 10 -4.482 5.275 16.104 1.00 1.00 N ATOM 128 CA ARG A 10 -3.540 6.267 15.613 1.00 1.00 C ATOM 129 C ARG A 10 -3.822 6.587 14.144 1.00 1.00 C ATOM 130 O ARG A 10 -3.460 7.656 13.657 1.00 1.00 O ATOM 131 CB ARG A 10 -2.099 5.775 15.753 1.00 1.00 C ATOM 132 CG ARG A 10 -1.374 6.514 16.879 1.00 1.00 C ATOM 133 CD ARG A 10 -1.205 7.998 16.541 1.00 1.00 C ATOM 134 NE ARG A 10 -0.760 8.150 15.138 1.00 1.00 N ATOM 135 CZ ARG A 10 -0.959 9.251 14.402 1.00 1.00 C ATOM 136 NH1 ARG A 10 -1.595 10.305 14.932 1.00 1.00 N ATOM 137 NH2 ARG A 10 -0.521 9.301 13.137 1.00 1.00 N ATOM 0 H ARG A 10 -5.347 5.207 15.568 1.00 1.00 H new ATOM 0 HA ARG A 10 -3.664 7.168 16.214 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -2.095 4.704 15.955 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -1.567 5.925 14.813 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -1.936 6.410 17.807 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -0.396 6.062 17.045 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -2.148 8.523 16.691 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -0.477 8.452 17.213 1.00 1.00 H new ATOM 0 HE ARG A 10 -0.271 7.367 14.704 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -1.927 10.268 15.896 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -1.747 11.144 14.372 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -0.035 8.500 12.733 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -0.673 10.140 12.577 1.00 1.00 H new ATOM 151 N GLN A 11 -4.467 5.639 13.479 1.00 1.00 N ATOM 152 CA GLN A 11 -4.802 5.806 12.074 1.00 1.00 C ATOM 153 C GLN A 11 -4.558 7.252 11.639 1.00 1.00 C ATOM 154 O GLN A 11 -3.452 7.602 11.229 1.00 1.00 O ATOM 155 CB GLN A 11 -6.249 5.388 11.803 1.00 1.00 C ATOM 156 CG GLN A 11 -6.308 3.988 11.188 1.00 1.00 C ATOM 157 CD GLN A 11 -5.214 3.088 11.766 1.00 1.00 C ATOM 158 OE1 GLN A 11 -4.961 3.064 12.959 1.00 1.00 O ATOM 159 NE2 GLN A 11 -4.584 2.351 10.856 1.00 1.00 N ATOM 0 H GLN A 11 -4.766 4.753 13.887 1.00 1.00 H new ATOM 0 HA GLN A 11 -4.154 5.156 11.485 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -6.817 5.405 12.733 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -6.719 6.105 11.130 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -7.286 3.545 11.377 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -6.193 4.057 10.106 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -4.847 2.420 9.873 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -3.838 1.716 11.141 1.00 1.00 H new ATOM 168 N ASP A 12 -5.608 8.053 11.742 1.00 1.00 N ATOM 169 CA ASP A 12 -5.522 9.453 11.364 1.00 1.00 C ATOM 170 C ASP A 12 -6.515 10.264 12.198 1.00 1.00 C ATOM 171 O ASP A 12 -7.594 9.779 12.531 1.00 1.00 O ATOM 172 CB ASP A 12 -5.874 9.648 9.888 1.00 1.00 C ATOM 173 CG ASP A 12 -6.038 11.104 9.449 1.00 1.00 C ATOM 174 OD1 ASP A 12 -6.976 11.750 9.964 1.00 1.00 O ATOM 175 OD2 ASP A 12 -5.222 11.538 8.608 1.00 1.00 O ATOM 0 H ASP A 12 -6.524 7.759 12.082 1.00 1.00 H new ATOM 0 HA ASP A 12 -4.499 9.787 11.538 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -5.095 9.187 9.280 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -6.801 9.114 9.678 1.00 1.00 H new ATOM 180 N PRO A 13 -6.102 11.520 12.521 1.00 1.00 N ATOM 181 CA PRO A 13 -6.943 12.403 13.311 1.00 1.00 C ATOM 182 C PRO A 13 -8.095 12.961 12.471 1.00 1.00 C ATOM 183 O PRO A 13 -8.137 14.156 12.185 1.00 1.00 O ATOM 184 CB PRO A 13 -6.005 13.484 13.825 1.00 1.00 C ATOM 185 CG PRO A 13 -4.777 13.429 12.930 1.00 1.00 C ATOM 186 CD PRO A 13 -4.830 12.129 12.145 1.00 1.00 C ATOM 0 HA PRO A 13 -7.430 11.889 14.140 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.478 14.465 13.780 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.738 13.306 14.867 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -4.760 14.283 12.253 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -3.867 13.477 13.528 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -4.781 12.312 11.072 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -3.991 11.480 12.396 1.00 1.00 H new ATOM 194 N LYS A 14 -8.999 12.067 12.099 1.00 1.00 N ATOM 195 CA LYS A 14 -10.148 12.454 11.297 1.00 1.00 C ATOM 196 C LYS A 14 -9.793 12.332 9.814 1.00 1.00 C ATOM 197 O LYS A 14 -9.126 13.203 9.258 1.00 1.00 O ATOM 198 CB LYS A 14 -10.637 13.846 11.700 1.00 1.00 C ATOM 199 CG LYS A 14 -12.116 14.029 11.354 1.00 1.00 C ATOM 200 CD LYS A 14 -12.802 14.963 12.352 1.00 1.00 C ATOM 201 CE LYS A 14 -13.142 16.306 11.702 1.00 1.00 C ATOM 202 NZ LYS A 14 -12.585 17.422 12.498 1.00 1.00 N ATOM 0 H LYS A 14 -8.960 11.076 12.338 1.00 1.00 H new ATOM 0 HA LYS A 14 -10.986 11.781 11.481 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.490 13.991 12.770 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.044 14.605 11.190 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -12.210 14.435 10.347 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -12.616 13.060 11.355 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -13.713 14.495 12.726 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.151 15.125 13.211 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.741 16.338 10.689 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -14.224 16.414 11.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -12.825 18.326 12.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -12.987 17.399 13.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -11.551 17.326 12.554 1.00 1.00 H new ATOM 216 N ASN A 15 -10.255 11.245 9.215 1.00 1.00 N ATOM 217 CA ASN A 15 -9.995 10.997 7.807 1.00 1.00 C ATOM 218 C ASN A 15 -11.320 10.979 7.044 1.00 1.00 C ATOM 219 O ASN A 15 -11.379 11.387 5.884 1.00 1.00 O ATOM 220 CB ASN A 15 -9.313 9.643 7.602 1.00 1.00 C ATOM 221 CG ASN A 15 -7.807 9.814 7.394 1.00 1.00 C ATOM 222 OD1 ASN A 15 -7.301 10.906 7.194 1.00 1.00 O ATOM 223 ND2 ASN A 15 -7.120 8.677 7.451 1.00 1.00 N ATOM 0 H ASN A 15 -10.809 10.525 9.679 1.00 1.00 H new ATOM 0 HA ASN A 15 -9.341 11.789 7.441 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -9.494 9.006 8.468 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -9.748 9.140 6.739 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -6.108 8.686 7.324 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -7.605 7.796 7.622 1.00 1.00 H new ATOM 230 N ARG A 16 -12.352 10.504 7.724 1.00 1.00 N ATOM 231 CA ARG A 16 -13.674 10.427 7.125 1.00 1.00 C ATOM 232 C ARG A 16 -13.821 9.128 6.330 1.00 1.00 C ATOM 233 O ARG A 16 -14.849 8.897 5.695 1.00 1.00 O ATOM 234 CB ARG A 16 -13.927 11.616 6.196 1.00 1.00 C ATOM 235 CG ARG A 16 -15.393 12.051 6.252 1.00 1.00 C ATOM 236 CD ARG A 16 -15.576 13.243 7.195 1.00 1.00 C ATOM 237 NE ARG A 16 -15.760 14.485 6.412 1.00 1.00 N ATOM 238 CZ ARG A 16 -16.115 15.662 6.945 1.00 1.00 C ATOM 239 NH1 ARG A 16 -16.327 15.765 8.263 1.00 1.00 N ATOM 240 NH2 ARG A 16 -16.258 16.738 6.157 1.00 1.00 N ATOM 0 H ARG A 16 -12.300 10.168 8.686 1.00 1.00 H new ATOM 0 HA ARG A 16 -14.406 10.448 7.932 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -13.285 12.449 6.482 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -13.662 11.346 5.174 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -15.735 12.318 5.252 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -16.011 11.218 6.589 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -16.440 13.078 7.839 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -14.707 13.339 7.846 1.00 1.00 H new ATOM 0 HE ARG A 16 -15.607 14.443 5.404 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -16.218 14.947 8.862 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -16.597 16.662 8.668 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -16.097 16.660 5.153 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -16.528 17.634 6.562 1.00 1.00 H new ATOM 254 N VAL A 17 -12.778 8.313 6.391 1.00 1.00 N ATOM 255 CA VAL A 17 -12.779 7.043 5.684 1.00 1.00 C ATOM 256 C VAL A 17 -13.234 5.934 6.635 1.00 1.00 C ATOM 257 O VAL A 17 -12.899 5.952 7.819 1.00 1.00 O ATOM 258 CB VAL A 17 -11.399 6.781 5.076 1.00 1.00 C ATOM 259 CG1 VAL A 17 -11.418 5.534 4.192 1.00 1.00 C ATOM 260 CG2 VAL A 17 -10.903 8.000 4.297 1.00 1.00 C ATOM 0 H VAL A 17 -11.927 8.507 6.919 1.00 1.00 H new ATOM 0 HA VAL A 17 -13.485 7.069 4.854 1.00 1.00 H new ATOM 0 HB VAL A 17 -10.701 6.600 5.893 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -10.425 5.370 3.772 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -11.707 4.669 4.789 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -12.136 5.672 3.383 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -9.921 7.787 3.875 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -11.602 8.226 3.492 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -10.832 8.856 4.968 1.00 1.00 H new ATOM 270 N ASN A 18 -13.989 4.996 6.082 1.00 1.00 N ATOM 271 CA ASN A 18 -14.494 3.883 6.867 1.00 1.00 C ATOM 272 C ASN A 18 -14.207 2.574 6.129 1.00 1.00 C ATOM 273 O ASN A 18 -13.971 2.576 4.922 1.00 1.00 O ATOM 274 CB ASN A 18 -16.006 3.992 7.069 1.00 1.00 C ATOM 275 CG ASN A 18 -16.664 4.730 5.902 1.00 1.00 C ATOM 276 OD1 ASN A 18 -16.374 6.027 5.851 1.00 1.00 O flip ATOM 277 ND2 ASN A 18 -17.385 4.159 5.100 1.00 1.00 N flip ATOM 0 H ASN A 18 -14.263 4.984 5.100 1.00 1.00 H new ATOM 0 HA ASN A 18 -14.000 3.903 7.838 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -16.437 2.995 7.162 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -16.215 4.518 8.001 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -17.566 3.160 5.198 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -17.807 4.681 4.332 1.00 1.00 H new ATOM 284 N CYS A 19 -14.237 1.486 6.886 1.00 1.00 N ATOM 285 CA CYS A 19 -13.984 0.173 6.318 1.00 1.00 C ATOM 286 C CYS A 19 -14.955 -0.821 6.957 1.00 1.00 C ATOM 287 O CYS A 19 -14.533 -1.829 7.523 1.00 1.00 O ATOM 288 CB CYS A 19 -12.526 -0.253 6.505 1.00 1.00 C ATOM 289 SG CYS A 19 -12.058 -1.793 5.634 1.00 1.00 S ATOM 0 H CYS A 19 -14.433 1.487 7.887 1.00 1.00 H new ATOM 0 HA CYS A 19 -14.150 0.201 5.241 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -11.879 0.554 6.160 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -12.334 -0.382 7.570 1.00 1.00 H new ATOM 294 N GLY A 20 -16.236 -0.504 6.846 1.00 1.00 N ATOM 295 CA GLY A 20 -17.270 -1.357 7.407 1.00 1.00 C ATOM 296 C GLY A 20 -18.663 -0.859 7.016 1.00 1.00 C ATOM 297 O GLY A 20 -18.975 -0.742 5.832 1.00 1.00 O ATOM 0 H GLY A 20 -16.582 0.332 6.376 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -17.133 -2.380 7.055 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -17.179 -1.379 8.493 1.00 1.00 H new ATOM 301 N PHE A 21 -19.464 -0.579 8.034 1.00 1.00 N ATOM 302 CA PHE A 21 -20.816 -0.096 7.812 1.00 1.00 C ATOM 303 C PHE A 21 -21.370 0.579 9.068 1.00 1.00 C ATOM 304 O PHE A 21 -20.858 0.371 10.166 1.00 1.00 O ATOM 305 CB PHE A 21 -21.677 -1.316 7.481 1.00 1.00 C ATOM 306 CG PHE A 21 -21.381 -2.542 8.348 1.00 1.00 C ATOM 307 CD1 PHE A 21 -20.323 -3.344 8.053 1.00 1.00 C ATOM 308 CD2 PHE A 21 -22.175 -2.829 9.415 1.00 1.00 C ATOM 309 CE1 PHE A 21 -20.047 -4.481 8.858 1.00 1.00 C ATOM 310 CE2 PHE A 21 -21.900 -3.966 10.219 1.00 1.00 C ATOM 311 CZ PHE A 21 -20.842 -4.767 9.924 1.00 1.00 C ATOM 0 H PHE A 21 -19.202 -0.678 9.015 1.00 1.00 H new ATOM 0 HA PHE A 21 -20.822 0.637 7.006 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -22.727 -1.048 7.595 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -21.528 -1.580 6.434 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -19.692 -3.116 7.206 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -23.015 -2.192 9.650 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -19.207 -5.118 8.624 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -22.531 -4.195 11.065 1.00 1.00 H new ATOM 0 HZ PHE A 21 -20.632 -5.631 10.537 1.00 1.00 H new ATOM 321 N PRO A 22 -22.438 1.396 8.858 1.00 1.00 N ATOM 322 CA PRO A 22 -23.067 2.102 9.961 1.00 1.00 C ATOM 323 C PRO A 22 -23.916 1.153 10.808 1.00 1.00 C ATOM 324 O PRO A 22 -24.977 0.708 10.373 1.00 1.00 O ATOM 325 CB PRO A 22 -23.883 3.204 9.305 1.00 1.00 C ATOM 326 CG PRO A 22 -24.054 2.790 7.853 1.00 1.00 C ATOM 327 CD PRO A 22 -23.072 1.665 7.571 1.00 1.00 C ATOM 0 HA PRO A 22 -22.343 2.521 10.660 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -24.850 3.318 9.795 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -23.373 4.164 9.380 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -25.076 2.460 7.668 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -23.867 3.635 7.190 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -23.582 0.781 7.188 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -22.337 1.959 6.821 1.00 1.00 H new ATOM 335 N GLY A 23 -23.417 0.870 12.002 1.00 1.00 N ATOM 336 CA GLY A 23 -24.116 -0.018 12.914 1.00 1.00 C ATOM 337 C GLY A 23 -23.242 -1.217 13.290 1.00 1.00 C ATOM 338 O GLY A 23 -23.657 -2.072 14.071 1.00 1.00 O ATOM 0 H GLY A 23 -22.536 1.240 12.359 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -24.398 0.528 13.814 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -25.039 -0.367 12.451 1.00 1.00 H new ATOM 342 N ILE A 24 -22.048 -1.242 12.715 1.00 1.00 N ATOM 343 CA ILE A 24 -21.112 -2.321 12.980 1.00 1.00 C ATOM 344 C ILE A 24 -20.977 -2.514 14.491 1.00 1.00 C ATOM 345 O ILE A 24 -21.397 -1.660 15.270 1.00 1.00 O ATOM 346 CB ILE A 24 -19.781 -2.062 12.271 1.00 1.00 C ATOM 347 CG1 ILE A 24 -18.925 -3.329 12.233 1.00 1.00 C ATOM 348 CG2 ILE A 24 -19.039 -0.888 12.912 1.00 1.00 C ATOM 349 CD1 ILE A 24 -18.129 -3.413 10.929 1.00 1.00 C ATOM 0 H ILE A 24 -21.708 -0.532 12.067 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.487 -3.259 12.571 1.00 1.00 H new ATOM 0 HB ILE A 24 -19.992 -1.785 11.238 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.241 -3.336 13.082 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.564 -4.207 12.331 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -18.096 -0.725 12.390 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.652 0.011 12.844 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.839 -1.112 13.960 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.529 -4.323 10.927 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -18.817 -3.430 10.083 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.474 -2.546 10.846 1.00 1.00 H new ATOM 361 N THR A 25 -20.390 -3.643 14.861 1.00 1.00 N ATOM 362 CA THR A 25 -20.195 -3.959 16.266 1.00 1.00 C ATOM 363 C THR A 25 -18.716 -3.837 16.639 1.00 1.00 C ATOM 364 O THR A 25 -18.358 -3.070 17.532 1.00 1.00 O ATOM 365 CB THR A 25 -20.772 -5.352 16.521 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.842 -6.234 15.899 1.00 1.00 O ATOM 367 CG2 THR A 25 -22.079 -5.593 15.762 1.00 1.00 C ATOM 0 H THR A 25 -20.043 -4.350 14.213 1.00 1.00 H new ATOM 0 HA THR A 25 -20.720 -3.251 16.908 1.00 1.00 H new ATOM 0 HB THR A 25 -20.943 -5.483 17.590 1.00 1.00 H new ATOM 0 HG1 THR A 25 -20.139 -7.160 16.018 1.00 1.00 H new ATOM 0 HG21 THR A 25 -22.446 -6.596 15.978 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.822 -4.860 16.075 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.901 -5.495 14.691 1.00 1.00 H new ATOM 375 N SER A 26 -17.896 -4.605 15.937 1.00 1.00 N ATOM 376 CA SER A 26 -16.463 -4.593 16.183 1.00 1.00 C ATOM 377 C SER A 26 -15.826 -5.870 15.631 1.00 1.00 C ATOM 378 O SER A 26 -15.057 -5.819 14.672 1.00 1.00 O ATOM 379 CB SER A 26 -16.163 -4.453 17.676 1.00 1.00 C ATOM 380 OG SER A 26 -17.077 -5.197 18.478 1.00 1.00 O ATOM 0 H SER A 26 -18.196 -5.240 15.197 1.00 1.00 H new ATOM 0 HA SER A 26 -16.035 -3.731 15.671 1.00 1.00 H new ATOM 0 HB2 SER A 26 -15.147 -4.793 17.875 1.00 1.00 H new ATOM 0 HB3 SER A 26 -16.208 -3.401 17.957 1.00 1.00 H new ATOM 0 HG SER A 26 -16.850 -5.082 19.424 1.00 1.00 H new ATOM 386 N ASP A 27 -16.170 -6.983 16.259 1.00 1.00 N ATOM 387 CA ASP A 27 -15.641 -8.271 15.843 1.00 1.00 C ATOM 388 C ASP A 27 -15.680 -8.364 14.316 1.00 1.00 C ATOM 389 O ASP A 27 -14.659 -8.618 13.680 1.00 1.00 O ATOM 390 CB ASP A 27 -16.479 -9.419 16.408 1.00 1.00 C ATOM 391 CG ASP A 27 -15.957 -10.821 16.085 1.00 1.00 C ATOM 392 OD1 ASP A 27 -15.274 -10.947 15.045 1.00 1.00 O ATOM 393 OD2 ASP A 27 -16.252 -11.736 16.886 1.00 1.00 O ATOM 0 H ASP A 27 -16.809 -7.021 17.053 1.00 1.00 H new ATOM 0 HA ASP A 27 -14.620 -8.353 16.216 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.535 -9.309 17.491 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -17.496 -9.329 16.025 1.00 1.00 H new ATOM 398 N GLN A 28 -16.870 -8.154 13.772 1.00 1.00 N ATOM 399 CA GLN A 28 -17.056 -8.211 12.333 1.00 1.00 C ATOM 400 C GLN A 28 -16.097 -7.244 11.635 1.00 1.00 C ATOM 401 O GLN A 28 -15.702 -7.472 10.493 1.00 1.00 O ATOM 402 CB GLN A 28 -18.508 -7.911 11.955 1.00 1.00 C ATOM 403 CG GLN A 28 -19.433 -9.052 12.384 1.00 1.00 C ATOM 404 CD GLN A 28 -19.213 -10.292 11.515 1.00 1.00 C ATOM 405 OE1 GLN A 28 -19.798 -10.451 10.456 1.00 1.00 O ATOM 406 NE2 GLN A 28 -18.339 -11.159 12.020 1.00 1.00 N ATOM 0 H GLN A 28 -17.715 -7.944 14.303 1.00 1.00 H new ATOM 0 HA GLN A 28 -16.829 -9.223 11.997 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -18.826 -6.982 12.429 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -18.584 -7.762 10.878 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -19.250 -9.299 13.430 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -20.472 -8.731 12.309 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -17.885 -10.964 12.912 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -18.123 -12.019 11.515 1.00 1.00 H new ATOM 415 N CYS A 29 -15.752 -6.183 12.352 1.00 1.00 N ATOM 416 CA CYS A 29 -14.847 -5.181 11.816 1.00 1.00 C ATOM 417 C CYS A 29 -13.411 -5.655 12.050 1.00 1.00 C ATOM 418 O CYS A 29 -12.544 -5.463 11.199 1.00 1.00 O ATOM 419 CB CYS A 29 -15.100 -3.804 12.432 1.00 1.00 C ATOM 420 SG CYS A 29 -14.451 -2.397 11.459 1.00 1.00 S ATOM 0 H CYS A 29 -16.083 -5.996 13.299 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.021 -5.066 10.746 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.174 -3.672 12.563 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.652 -3.778 13.425 1.00 1.00 H new ATOM 425 N PHE A 30 -13.205 -6.266 13.207 1.00 1.00 N ATOM 426 CA PHE A 30 -11.889 -6.770 13.564 1.00 1.00 C ATOM 427 C PHE A 30 -11.702 -8.208 13.078 1.00 1.00 C ATOM 428 O PHE A 30 -11.096 -9.026 13.768 1.00 1.00 O ATOM 429 CB PHE A 30 -11.800 -6.745 15.091 1.00 1.00 C ATOM 430 CG PHE A 30 -11.278 -5.424 15.662 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.172 -4.841 15.127 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.920 -4.833 16.706 1.00 1.00 C ATOM 433 CE1 PHE A 30 -9.688 -3.615 15.657 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.436 -3.609 17.237 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.330 -3.025 16.701 1.00 1.00 C ATOM 0 H PHE A 30 -13.927 -6.424 13.910 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.117 -6.155 13.101 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.788 -6.943 15.506 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -11.148 -7.554 15.420 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -9.661 -5.310 14.299 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -12.799 -5.296 17.131 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -8.810 -3.151 15.231 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -11.945 -3.141 18.066 1.00 1.00 H new ATOM 0 HZ PHE A 30 -9.962 -2.093 17.104 1.00 1.00 H new ATOM 445 N THR A 31 -12.233 -8.472 11.893 1.00 1.00 N ATOM 446 CA THR A 31 -12.133 -9.797 11.307 1.00 1.00 C ATOM 447 C THR A 31 -10.771 -9.980 10.633 1.00 1.00 C ATOM 448 O THR A 31 -10.621 -10.815 9.742 1.00 1.00 O ATOM 449 CB THR A 31 -13.312 -9.981 10.350 1.00 1.00 C ATOM 450 OG1 THR A 31 -14.459 -9.801 11.175 1.00 1.00 O ATOM 451 CG2 THR A 31 -13.438 -11.421 9.847 1.00 1.00 C ATOM 0 H THR A 31 -12.734 -7.790 11.323 1.00 1.00 H new ATOM 0 HA THR A 31 -12.191 -10.572 12.071 1.00 1.00 H new ATOM 0 HB THR A 31 -13.199 -9.308 9.500 1.00 1.00 H new ATOM 0 HG1 THR A 31 -14.180 -9.481 12.058 1.00 1.00 H new ATOM 0 HG21 THR A 31 -14.290 -11.497 9.171 1.00 1.00 H new ATOM 0 HG22 THR A 31 -12.528 -11.702 9.317 1.00 1.00 H new ATOM 0 HG23 THR A 31 -13.586 -12.091 10.694 1.00 1.00 H new ATOM 459 N SER A 32 -9.811 -9.186 11.087 1.00 1.00 N ATOM 460 CA SER A 32 -8.466 -9.250 10.539 1.00 1.00 C ATOM 461 C SER A 32 -8.406 -8.497 9.209 1.00 1.00 C ATOM 462 O SER A 32 -7.366 -8.470 8.554 1.00 1.00 O ATOM 463 CB SER A 32 -8.018 -10.700 10.350 1.00 1.00 C ATOM 464 OG SER A 32 -7.843 -11.030 8.975 1.00 1.00 O ATOM 0 H SER A 32 -9.938 -8.496 11.827 1.00 1.00 H new ATOM 0 HA SER A 32 -7.785 -8.777 11.247 1.00 1.00 H new ATOM 0 HB2 SER A 32 -7.082 -10.863 10.884 1.00 1.00 H new ATOM 0 HB3 SER A 32 -8.757 -11.368 10.792 1.00 1.00 H new ATOM 0 HG SER A 32 -8.719 -11.092 8.539 1.00 1.00 H new ATOM 470 N GLY A 33 -9.535 -7.905 8.849 1.00 1.00 N ATOM 471 CA GLY A 33 -9.625 -7.155 7.608 1.00 1.00 C ATOM 472 C GLY A 33 -9.534 -5.650 7.870 1.00 1.00 C ATOM 473 O GLY A 33 -8.617 -4.987 7.387 1.00 1.00 O ATOM 0 H GLY A 33 -10.396 -7.930 9.396 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -8.823 -7.460 6.935 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.566 -7.385 7.107 1.00 1.00 H new ATOM 477 N CYS A 34 -10.497 -5.155 8.634 1.00 1.00 N ATOM 478 CA CYS A 34 -10.536 -3.741 8.965 1.00 1.00 C ATOM 479 C CYS A 34 -10.325 -3.596 10.473 1.00 1.00 C ATOM 480 O CYS A 34 -10.339 -4.585 11.204 1.00 1.00 O ATOM 481 CB CYS A 34 -11.843 -3.090 8.507 1.00 1.00 C ATOM 482 SG CYS A 34 -12.269 -3.376 6.750 1.00 1.00 S ATOM 0 H CYS A 34 -11.256 -5.708 9.033 1.00 1.00 H new ATOM 0 HA CYS A 34 -9.740 -3.218 8.435 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -12.656 -3.464 9.129 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.778 -2.016 8.680 1.00 1.00 H new ATOM 487 N CYS A 35 -10.131 -2.354 10.894 1.00 1.00 N ATOM 488 CA CYS A 35 -9.917 -2.066 12.302 1.00 1.00 C ATOM 489 C CYS A 35 -11.149 -1.333 12.836 1.00 1.00 C ATOM 490 O CYS A 35 -12.015 -0.923 12.065 1.00 1.00 O ATOM 491 CB CYS A 35 -8.634 -1.263 12.525 1.00 1.00 C ATOM 492 SG CYS A 35 -7.150 -2.271 12.892 1.00 1.00 S ATOM 0 H CYS A 35 -10.118 -1.536 10.285 1.00 1.00 H new ATOM 0 HA CYS A 35 -9.785 -2.998 12.851 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.438 -0.664 11.636 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.796 -0.567 13.348 1.00 1.00 H new ATOM 497 N PHE A 36 -11.188 -1.190 14.152 1.00 1.00 N ATOM 498 CA PHE A 36 -12.300 -0.514 14.799 1.00 1.00 C ATOM 499 C PHE A 36 -11.855 0.148 16.105 1.00 1.00 C ATOM 500 O PHE A 36 -11.455 -0.535 17.047 1.00 1.00 O ATOM 501 CB PHE A 36 -13.350 -1.582 15.115 1.00 1.00 C ATOM 502 CG PHE A 36 -14.550 -1.059 15.907 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.349 -0.094 15.376 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.817 -1.558 17.144 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.462 0.390 16.111 1.00 1.00 C ATOM 506 CE2 PHE A 36 -15.931 -1.072 17.879 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.730 -0.108 17.348 1.00 1.00 C ATOM 0 H PHE A 36 -10.467 -1.531 14.788 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.694 0.264 14.145 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.706 -2.015 14.180 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.877 -2.386 15.679 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.136 0.304 14.395 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -14.183 -2.323 17.567 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -17.097 1.154 15.688 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -16.144 -1.468 18.861 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.576 0.262 17.908 1.00 1.00 H new ATOM 517 N ASP A 37 -11.939 1.470 16.120 1.00 1.00 N ATOM 518 CA ASP A 37 -11.551 2.232 17.294 1.00 1.00 C ATOM 519 C ASP A 37 -12.805 2.669 18.051 1.00 1.00 C ATOM 520 O ASP A 37 -12.990 2.310 19.213 1.00 1.00 O ATOM 521 CB ASP A 37 -10.773 3.490 16.901 1.00 1.00 C ATOM 522 CG ASP A 37 -10.939 4.676 17.854 1.00 1.00 C ATOM 523 OD1 ASP A 37 -12.030 5.284 17.818 1.00 1.00 O ATOM 524 OD2 ASP A 37 -9.970 4.948 18.596 1.00 1.00 O ATOM 0 H ASP A 37 -12.270 2.033 15.337 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.920 1.596 17.915 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -9.714 3.239 16.838 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -11.088 3.797 15.904 1.00 1.00 H new ATOM 529 N SER A 38 -13.637 3.437 17.363 1.00 1.00 N ATOM 530 CA SER A 38 -14.869 3.928 17.956 1.00 1.00 C ATOM 531 C SER A 38 -14.556 4.761 19.200 1.00 1.00 C ATOM 532 O SER A 38 -14.736 4.296 20.324 1.00 1.00 O ATOM 533 CB SER A 38 -15.805 2.772 18.313 1.00 1.00 C ATOM 534 OG SER A 38 -15.107 1.536 18.432 1.00 1.00 O ATOM 0 H SER A 38 -13.482 3.732 16.399 1.00 1.00 H new ATOM 0 HA SER A 38 -15.374 4.558 17.224 1.00 1.00 H new ATOM 0 HB2 SER A 38 -16.312 2.993 19.252 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.576 2.681 17.548 1.00 1.00 H new ATOM 0 HG SER A 38 -15.553 0.855 17.887 1.00 1.00 H new ATOM 540 N GLN A 39 -14.092 5.978 18.956 1.00 1.00 N ATOM 541 CA GLN A 39 -13.751 6.880 20.043 1.00 1.00 C ATOM 542 C GLN A 39 -14.322 8.275 19.774 1.00 1.00 C ATOM 543 O GLN A 39 -14.280 9.145 20.642 1.00 1.00 O ATOM 544 CB GLN A 39 -12.236 6.939 20.254 1.00 1.00 C ATOM 545 CG GLN A 39 -11.743 5.716 21.030 1.00 1.00 C ATOM 546 CD GLN A 39 -10.565 6.080 21.935 1.00 1.00 C ATOM 547 OE1 GLN A 39 -10.552 5.801 23.123 1.00 1.00 O ATOM 548 NE2 GLN A 39 -9.579 6.717 21.310 1.00 1.00 N ATOM 0 H GLN A 39 -13.944 6.360 18.022 1.00 1.00 H new ATOM 0 HA GLN A 39 -14.197 6.496 20.960 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -11.732 6.989 19.289 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.976 7.848 20.797 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.556 5.310 21.631 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.442 4.935 20.332 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -9.654 6.920 20.313 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -8.748 7.003 21.828 1.00 1.00 H new ATOM 557 N VAL A 40 -14.841 8.443 18.567 1.00 1.00 N ATOM 558 CA VAL A 40 -15.419 9.717 18.172 1.00 1.00 C ATOM 559 C VAL A 40 -16.720 9.467 17.406 1.00 1.00 C ATOM 560 O VAL A 40 -16.707 8.860 16.336 1.00 1.00 O ATOM 561 CB VAL A 40 -14.399 10.527 17.369 1.00 1.00 C ATOM 562 CG1 VAL A 40 -15.093 11.597 16.523 1.00 1.00 C ATOM 563 CG2 VAL A 40 -13.349 11.152 18.289 1.00 1.00 C ATOM 0 H VAL A 40 -14.874 7.719 17.849 1.00 1.00 H new ATOM 0 HA VAL A 40 -15.669 10.312 19.051 1.00 1.00 H new ATOM 0 HB VAL A 40 -13.887 9.844 16.692 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -14.346 12.159 15.962 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -15.785 11.120 15.829 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -15.643 12.276 17.175 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -12.636 11.722 17.693 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -13.839 11.815 19.002 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -12.823 10.364 18.828 1.00 1.00 H new ATOM 573 N PRO A 41 -17.840 9.958 18.001 1.00 1.00 N ATOM 574 CA PRO A 41 -19.145 9.794 17.386 1.00 1.00 C ATOM 575 C PRO A 41 -19.317 10.743 16.198 1.00 1.00 C ATOM 576 O PRO A 41 -20.389 10.805 15.598 1.00 1.00 O ATOM 577 CB PRO A 41 -20.142 10.055 18.505 1.00 1.00 C ATOM 578 CG PRO A 41 -19.374 10.808 19.579 1.00 1.00 C ATOM 579 CD PRO A 41 -17.891 10.681 19.268 1.00 1.00 C ATOM 0 HA PRO A 41 -19.289 8.799 16.965 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -20.988 10.641 18.146 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -20.545 9.120 18.895 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -19.672 11.856 19.597 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -19.594 10.397 20.564 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -17.418 11.660 19.185 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -17.366 10.139 20.055 1.00 1.00 H new ATOM 587 N GLY A 42 -18.245 11.460 15.896 1.00 1.00 N ATOM 588 CA GLY A 42 -18.263 12.403 14.791 1.00 1.00 C ATOM 589 C GLY A 42 -17.343 11.939 13.659 1.00 1.00 C ATOM 590 O GLY A 42 -17.159 12.652 12.674 1.00 1.00 O ATOM 0 H GLY A 42 -17.358 11.407 16.397 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -19.281 12.510 14.416 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -17.947 13.386 15.142 1.00 1.00 H new ATOM 594 N VAL A 43 -16.790 10.749 13.840 1.00 1.00 N ATOM 595 CA VAL A 43 -15.895 10.182 12.846 1.00 1.00 C ATOM 596 C VAL A 43 -16.188 8.688 12.695 1.00 1.00 C ATOM 597 O VAL A 43 -16.928 8.114 13.491 1.00 1.00 O ATOM 598 CB VAL A 43 -14.441 10.472 13.225 1.00 1.00 C ATOM 599 CG1 VAL A 43 -14.266 11.931 13.651 1.00 1.00 C ATOM 600 CG2 VAL A 43 -13.961 9.519 14.322 1.00 1.00 C ATOM 0 H VAL A 43 -16.944 10.162 14.660 1.00 1.00 H new ATOM 0 HA VAL A 43 -16.061 10.645 11.873 1.00 1.00 H new ATOM 0 HB VAL A 43 -13.824 10.305 12.342 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -13.224 12.110 13.915 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -14.550 12.587 12.828 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -14.899 12.137 14.514 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -12.925 9.746 14.573 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -14.584 9.641 15.208 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -14.031 8.491 13.967 1.00 1.00 H new ATOM 610 N PRO A 44 -15.574 8.086 11.640 1.00 1.00 N ATOM 611 CA PRO A 44 -15.762 6.670 11.375 1.00 1.00 C ATOM 612 C PRO A 44 -14.969 5.817 12.368 1.00 1.00 C ATOM 613 O PRO A 44 -13.747 5.936 12.459 1.00 1.00 O ATOM 614 CB PRO A 44 -15.314 6.476 9.936 1.00 1.00 C ATOM 615 CG PRO A 44 -14.460 7.688 9.599 1.00 1.00 C ATOM 616 CD PRO A 44 -14.691 8.735 10.677 1.00 1.00 C ATOM 0 HA PRO A 44 -16.797 6.352 11.502 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.744 5.554 9.825 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -16.171 6.404 9.266 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -13.406 7.412 9.554 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.728 8.083 8.619 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -13.753 9.039 11.142 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -15.148 9.634 10.264 1.00 1.00 H new ATOM 624 N TRP A 45 -15.696 4.974 13.089 1.00 1.00 N ATOM 625 CA TRP A 45 -15.076 4.102 14.070 1.00 1.00 C ATOM 626 C TRP A 45 -14.349 2.985 13.320 1.00 1.00 C ATOM 627 O TRP A 45 -13.199 2.673 13.625 1.00 1.00 O ATOM 628 CB TRP A 45 -16.110 3.577 15.068 1.00 1.00 C ATOM 629 CG TRP A 45 -16.980 4.669 15.695 1.00 1.00 C ATOM 630 CD1 TRP A 45 -16.840 5.996 15.591 1.00 1.00 C ATOM 631 CD2 TRP A 45 -18.139 4.469 16.532 1.00 1.00 C ATOM 632 NE1 TRP A 45 -17.819 6.665 16.298 1.00 1.00 N ATOM 633 CE2 TRP A 45 -18.633 5.707 16.888 1.00 1.00 C ATOM 634 CE3 TRP A 45 -18.748 3.282 16.975 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -19.760 5.877 17.701 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -19.873 3.469 17.787 1.00 1.00 C ATOM 637 CH2 TRP A 45 -20.384 4.709 18.154 1.00 1.00 C ATOM 0 H TRP A 45 -16.709 4.878 13.012 1.00 1.00 H new ATOM 0 HA TRP A 45 -14.347 4.651 14.667 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.755 2.858 14.563 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -15.593 3.038 15.862 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -16.059 6.482 15.025 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -17.925 7.677 16.373 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -18.377 2.303 16.710 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -20.128 6.857 17.965 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -20.379 2.589 18.154 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -21.258 4.771 18.785 1.00 1.00 H new ATOM 648 N CYS A 46 -15.050 2.413 12.350 1.00 1.00 N ATOM 649 CA CYS A 46 -14.485 1.338 11.554 1.00 1.00 C ATOM 650 C CYS A 46 -13.749 1.957 10.364 1.00 1.00 C ATOM 651 O CYS A 46 -14.334 2.722 9.597 1.00 1.00 O ATOM 652 CB CYS A 46 -15.558 0.343 11.106 1.00 1.00 C ATOM 653 SG CYS A 46 -15.894 -1.008 12.294 1.00 1.00 S ATOM 0 H CYS A 46 -16.003 2.675 12.099 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.781 0.766 12.158 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.485 0.887 10.924 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.253 -0.095 10.155 1.00 1.00 H new ATOM 658 N PHE A 47 -12.478 1.603 10.245 1.00 1.00 N ATOM 659 CA PHE A 47 -11.657 2.115 9.162 1.00 1.00 C ATOM 660 C PHE A 47 -10.668 1.053 8.674 1.00 1.00 C ATOM 661 O PHE A 47 -10.763 -0.111 9.060 1.00 1.00 O ATOM 662 CB PHE A 47 -10.874 3.306 9.717 1.00 1.00 C ATOM 663 CG PHE A 47 -10.520 3.180 11.200 1.00 1.00 C ATOM 664 CD1 PHE A 47 -10.046 2.004 11.690 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.681 4.247 12.030 1.00 1.00 C ATOM 666 CE1 PHE A 47 -9.717 1.888 13.066 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.352 4.130 13.407 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.877 2.954 13.895 1.00 1.00 C ATOM 0 H PHE A 47 -11.997 0.967 10.881 1.00 1.00 H new ATOM 0 HA PHE A 47 -12.288 2.400 8.320 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -9.955 3.423 9.143 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -11.459 4.213 9.569 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -9.920 1.157 11.032 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.058 5.182 11.642 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -9.340 0.953 13.454 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.479 4.976 14.066 1.00 1.00 H new ATOM 0 HZ PHE A 47 -9.626 2.866 14.942 1.00 1.00 H new ATOM 678 N LYS A 48 -9.743 1.493 7.835 1.00 1.00 N ATOM 679 CA LYS A 48 -8.737 0.595 7.292 1.00 1.00 C ATOM 680 C LYS A 48 -7.399 0.853 7.988 1.00 1.00 C ATOM 681 O LYS A 48 -6.980 2.001 8.127 1.00 1.00 O ATOM 682 CB LYS A 48 -8.673 0.722 5.768 1.00 1.00 C ATOM 683 CG LYS A 48 -9.418 1.970 5.291 1.00 1.00 C ATOM 684 CD LYS A 48 -8.659 3.242 5.673 1.00 1.00 C ATOM 685 CE LYS A 48 -7.983 3.866 4.450 1.00 1.00 C ATOM 686 NZ LYS A 48 -7.215 5.070 4.840 1.00 1.00 N ATOM 0 H LYS A 48 -9.668 2.459 7.517 1.00 1.00 H new ATOM 0 HA LYS A 48 -9.005 -0.443 7.492 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.633 0.770 5.447 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -9.108 -0.164 5.307 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.546 1.930 4.209 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.416 1.992 5.730 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -9.347 3.960 6.119 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -7.908 3.009 6.428 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -7.318 3.139 3.984 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -8.735 4.132 3.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -6.763 5.481 3.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -7.857 5.769 5.264 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -6.484 4.807 5.532 1.00 1.00 H new ATOM 700 N PRO A 49 -6.750 -0.262 8.417 1.00 1.00 N ATOM 701 CA PRO A 49 -5.468 -0.169 9.095 1.00 1.00 C ATOM 702 C PRO A 49 -4.345 0.145 8.103 1.00 1.00 C ATOM 703 O PRO A 49 -4.608 0.543 6.969 1.00 1.00 O ATOM 704 CB PRO A 49 -5.291 -1.509 9.788 1.00 1.00 C ATOM 705 CG PRO A 49 -6.250 -2.465 9.099 1.00 1.00 C ATOM 706 CD PRO A 49 -7.217 -1.637 8.268 1.00 1.00 C ATOM 0 HA PRO A 49 -5.433 0.646 9.818 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -4.262 -1.859 9.703 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.515 -1.431 10.852 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.703 -3.163 8.465 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -6.791 -3.059 9.835 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -7.208 -1.947 7.223 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -8.241 -1.748 8.624 1.00 1.00 H new ATOM 714 N LEU A 50 -3.120 -0.044 8.568 1.00 1.00 N ATOM 715 CA LEU A 50 -1.956 0.214 7.736 1.00 1.00 C ATOM 716 C LEU A 50 -0.932 -0.905 7.939 1.00 1.00 C ATOM 717 O LEU A 50 0.213 -0.645 8.306 1.00 1.00 O ATOM 718 CB LEU A 50 -1.401 1.612 8.010 1.00 1.00 C ATOM 719 CG LEU A 50 -2.437 2.700 8.304 1.00 1.00 C ATOM 720 CD1 LEU A 50 -1.939 3.652 9.393 1.00 1.00 C ATOM 721 CD2 LEU A 50 -2.827 3.444 7.026 1.00 1.00 C ATOM 0 H LEU A 50 -2.907 -0.373 9.510 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.232 0.207 6.682 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -0.718 1.550 8.857 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -0.812 1.923 7.147 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.338 2.220 8.685 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -2.694 4.415 9.582 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.752 3.091 10.309 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -1.015 4.129 9.065 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.564 4.211 7.262 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.943 3.911 6.593 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.253 2.740 6.311 1.00 1.00 H new ATOM 733 N PRO A 51 -1.393 -2.159 7.683 1.00 1.00 N ATOM 734 CA PRO A 51 -0.530 -3.318 7.833 1.00 1.00 C ATOM 735 C PRO A 51 0.468 -3.413 6.678 1.00 1.00 C ATOM 736 O PRO A 51 0.109 -3.189 5.522 1.00 1.00 O ATOM 737 CB PRO A 51 -1.475 -4.507 7.900 1.00 1.00 C ATOM 738 CG PRO A 51 -2.795 -4.023 7.320 1.00 1.00 C ATOM 739 CD PRO A 51 -2.742 -2.505 7.246 1.00 1.00 C ATOM 0 HA PRO A 51 0.089 -3.267 8.729 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -1.084 -5.350 7.330 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -1.601 -4.848 8.927 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -2.956 -4.448 6.329 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -3.628 -4.346 7.944 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -2.933 -2.151 6.233 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -3.495 -2.051 7.890 1.00 1.00 H new ATOM 747 N ALA A 52 1.702 -3.743 7.029 1.00 1.00 N ATOM 748 CA ALA A 52 2.755 -3.869 6.035 1.00 1.00 C ATOM 749 C ALA A 52 3.955 -4.586 6.658 1.00 1.00 C ATOM 750 O ALA A 52 4.972 -3.961 6.953 1.00 1.00 O ATOM 751 CB ALA A 52 3.119 -2.484 5.498 1.00 1.00 C ATOM 0 H ALA A 52 1.997 -3.927 7.988 1.00 1.00 H new ATOM 0 HA ALA A 52 2.415 -4.467 5.190 1.00 1.00 H new ATOM 0 HB1 ALA A 52 3.909 -2.579 4.753 1.00 1.00 H new ATOM 0 HB2 ALA A 52 2.241 -2.029 5.040 1.00 1.00 H new ATOM 0 HB3 ALA A 52 3.467 -1.856 6.318 1.00 1.00 H new ATOM 757 N GLN A 53 3.795 -5.889 6.840 1.00 1.00 N ATOM 758 CA GLN A 53 4.853 -6.699 7.422 1.00 1.00 C ATOM 759 C GLN A 53 4.257 -7.899 8.160 1.00 1.00 C ATOM 760 O GLN A 53 3.051 -7.950 8.396 1.00 1.00 O ATOM 761 CB GLN A 53 5.732 -5.863 8.354 1.00 1.00 C ATOM 762 CG GLN A 53 6.936 -5.289 7.604 1.00 1.00 C ATOM 763 CD GLN A 53 8.190 -6.132 7.853 1.00 1.00 C ATOM 764 OE1 GLN A 53 8.450 -6.346 9.140 1.00 1.00 O flip ATOM 765 NE2 GLN A 53 8.873 -6.559 6.938 1.00 1.00 N flip ATOM 0 H GLN A 53 2.949 -6.404 6.595 1.00 1.00 H new ATOM 0 HA GLN A 53 5.486 -7.071 6.616 1.00 1.00 H new ATOM 0 HB2 GLN A 53 5.145 -5.051 8.782 1.00 1.00 H new ATOM 0 HB3 GLN A 53 6.076 -6.479 9.185 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.722 -5.256 6.536 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.114 -4.263 7.925 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.615 -6.357 5.972 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.702 -7.119 7.138 1.00 1.00 H new ATOM 774 N GLU A 54 5.130 -8.834 8.504 1.00 1.00 N ATOM 775 CA GLU A 54 4.706 -10.031 9.210 1.00 1.00 C ATOM 776 C GLU A 54 4.542 -9.736 10.703 1.00 1.00 C ATOM 777 O GLU A 54 4.288 -10.643 11.494 1.00 1.00 O ATOM 778 CB GLU A 54 5.689 -11.180 8.983 1.00 1.00 C ATOM 779 CG GLU A 54 4.989 -12.534 9.111 1.00 1.00 C ATOM 780 CD GLU A 54 5.432 -13.487 7.998 1.00 1.00 C ATOM 781 OE1 GLU A 54 6.621 -13.872 8.020 1.00 1.00 O ATOM 782 OE2 GLU A 54 4.570 -13.809 7.151 1.00 1.00 O ATOM 0 H GLU A 54 6.130 -8.787 8.307 1.00 1.00 H new ATOM 0 HA GLU A 54 3.740 -10.341 8.812 1.00 1.00 H new ATOM 0 HB2 GLU A 54 6.137 -11.090 7.993 1.00 1.00 H new ATOM 0 HB3 GLU A 54 6.501 -11.117 9.707 1.00 1.00 H new ATOM 0 HG2 GLU A 54 5.215 -12.974 10.083 1.00 1.00 H new ATOM 0 HG3 GLU A 54 3.909 -12.395 9.067 1.00 1.00 H new ATOM 789 N SER A 55 4.695 -8.464 11.043 1.00 1.00 N ATOM 790 CA SER A 55 4.567 -8.039 12.427 1.00 1.00 C ATOM 791 C SER A 55 4.099 -6.584 12.485 1.00 1.00 C ATOM 792 O SER A 55 4.338 -5.813 11.557 1.00 1.00 O ATOM 793 CB SER A 55 5.891 -8.202 13.176 1.00 1.00 C ATOM 794 OG SER A 55 6.224 -9.572 13.379 1.00 1.00 O ATOM 0 H SER A 55 4.906 -7.714 10.384 1.00 1.00 H new ATOM 0 HA SER A 55 3.825 -8.672 12.914 1.00 1.00 H new ATOM 0 HB2 SER A 55 6.688 -7.715 12.614 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.827 -7.698 14.140 1.00 1.00 H new ATOM 0 HG SER A 55 5.567 -10.139 12.924 1.00 1.00 H new ATOM 800 N GLU A 56 3.440 -6.252 13.586 1.00 1.00 N ATOM 801 CA GLU A 56 2.937 -4.903 13.778 1.00 1.00 C ATOM 802 C GLU A 56 4.019 -4.014 14.395 1.00 1.00 C ATOM 803 O GLU A 56 3.747 -3.249 15.319 1.00 1.00 O ATOM 804 CB GLU A 56 1.673 -4.907 14.642 1.00 1.00 C ATOM 805 CG GLU A 56 2.011 -5.185 16.107 1.00 1.00 C ATOM 806 CD GLU A 56 1.160 -6.329 16.660 1.00 1.00 C ATOM 807 OE1 GLU A 56 1.462 -7.487 16.299 1.00 1.00 O ATOM 808 OE2 GLU A 56 0.224 -6.020 17.430 1.00 1.00 O ATOM 0 H GLU A 56 3.243 -6.894 14.354 1.00 1.00 H new ATOM 0 HA GLU A 56 2.671 -4.494 12.803 1.00 1.00 H new ATOM 0 HB2 GLU A 56 1.168 -3.945 14.558 1.00 1.00 H new ATOM 0 HB3 GLU A 56 0.980 -5.664 14.275 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.068 -5.436 16.198 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.845 -4.285 16.699 1.00 1.00 H new ATOM 815 N GLU A 57 5.224 -4.147 13.860 1.00 1.00 N ATOM 816 CA GLU A 57 6.348 -3.366 14.346 1.00 1.00 C ATOM 817 C GLU A 57 6.757 -2.320 13.308 1.00 1.00 C ATOM 818 O GLU A 57 7.252 -1.250 13.660 1.00 1.00 O ATOM 819 CB GLU A 57 7.529 -4.270 14.708 1.00 1.00 C ATOM 820 CG GLU A 57 7.699 -5.388 13.677 1.00 1.00 C ATOM 821 CD GLU A 57 8.934 -6.236 13.986 1.00 1.00 C ATOM 822 OE1 GLU A 57 9.628 -5.891 14.968 1.00 1.00 O ATOM 823 OE2 GLU A 57 9.156 -7.209 13.236 1.00 1.00 O ATOM 0 H GLU A 57 5.446 -4.784 13.095 1.00 1.00 H new ATOM 0 HA GLU A 57 6.038 -2.847 15.253 1.00 1.00 H new ATOM 0 HB2 GLU A 57 8.442 -3.677 14.761 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.371 -4.702 15.696 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.811 -6.021 13.672 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.790 -4.957 12.680 1.00 1.00 H new ATOM 830 N CYS A 58 6.536 -2.666 12.048 1.00 1.00 N ATOM 831 CA CYS A 58 6.875 -1.770 10.955 1.00 1.00 C ATOM 832 C CYS A 58 5.714 -0.793 10.757 1.00 1.00 C ATOM 833 O CYS A 58 5.815 0.378 11.121 1.00 1.00 O ATOM 834 CB CYS A 58 7.199 -2.540 9.673 1.00 1.00 C ATOM 835 SG CYS A 58 8.804 -3.419 9.690 1.00 1.00 S ATOM 0 H CYS A 58 6.126 -3.555 11.760 1.00 1.00 H new ATOM 0 HA CYS A 58 7.778 -1.213 11.204 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.406 -3.265 9.491 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.192 -1.843 8.835 1.00 1.00 H new ATOM 840 N VAL A 59 4.639 -1.310 10.181 1.00 1.00 N ATOM 841 CA VAL A 59 3.461 -0.498 9.931 1.00 1.00 C ATOM 842 C VAL A 59 3.891 0.855 9.361 1.00 1.00 C ATOM 843 O VAL A 59 4.884 0.942 8.640 1.00 1.00 O ATOM 844 CB VAL A 59 2.631 -0.371 11.209 1.00 1.00 C ATOM 845 CG1 VAL A 59 1.150 -0.162 10.884 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.827 -1.589 12.114 1.00 1.00 C ATOM 0 H VAL A 59 4.559 -2.281 9.880 1.00 1.00 H new ATOM 0 HA VAL A 59 2.820 -0.975 9.190 1.00 1.00 H new ATOM 0 HB VAL A 59 2.982 0.508 11.749 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.583 -0.075 11.811 1.00 1.00 H new ATOM 0 HG12 VAL A 59 1.031 0.750 10.299 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.780 -1.012 10.311 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.226 -1.473 13.016 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.517 -2.490 11.584 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.879 -1.673 12.388 1.00 1.00 H new ATOM 856 N MET A 60 3.123 1.878 9.705 1.00 1.00 N ATOM 857 CA MET A 60 3.412 3.222 9.236 1.00 1.00 C ATOM 858 C MET A 60 2.956 3.409 7.788 1.00 1.00 C ATOM 859 O MET A 60 3.075 2.495 6.973 1.00 1.00 O ATOM 860 CB MET A 60 4.916 3.485 9.336 1.00 1.00 C ATOM 861 CG MET A 60 5.278 4.095 10.692 1.00 1.00 C ATOM 862 SD MET A 60 6.391 3.011 11.570 1.00 1.00 S ATOM 863 CE MET A 60 7.609 2.721 10.298 1.00 1.00 C ATOM 0 H MET A 60 2.300 1.803 10.303 1.00 1.00 H new ATOM 0 HA MET A 60 2.868 3.929 9.862 1.00 1.00 H new ATOM 0 HB2 MET A 60 5.462 2.552 9.196 1.00 1.00 H new ATOM 0 HB3 MET A 60 5.225 4.158 8.536 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.744 5.070 10.549 1.00 1.00 H new ATOM 0 HG3 MET A 60 4.375 4.257 11.280 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.454 2.177 10.720 1.00 1.00 H new ATOM 0 HE2 MET A 60 7.164 2.134 9.495 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.954 3.675 9.901 1.00 1.00 H new ATOM 873 N GLN A 61 2.442 4.598 7.511 1.00 1.00 N ATOM 874 CA GLN A 61 1.967 4.916 6.176 1.00 1.00 C ATOM 875 C GLN A 61 3.119 5.433 5.311 1.00 1.00 C ATOM 876 O GLN A 61 4.205 5.708 5.818 1.00 1.00 O ATOM 877 CB GLN A 61 0.823 5.930 6.226 1.00 1.00 C ATOM 878 CG GLN A 61 -0.533 5.224 6.295 1.00 1.00 C ATOM 879 CD GLN A 61 -1.649 6.129 5.769 1.00 1.00 C ATOM 880 OE1 GLN A 61 -2.132 7.020 6.449 1.00 1.00 O ATOM 881 NE2 GLN A 61 -2.032 5.851 4.527 1.00 1.00 N ATOM 0 H GLN A 61 2.344 5.353 8.189 1.00 1.00 H new ATOM 0 HA GLN A 61 1.579 4.003 5.724 1.00 1.00 H new ATOM 0 HB2 GLN A 61 0.944 6.578 7.094 1.00 1.00 H new ATOM 0 HB3 GLN A 61 0.860 6.569 5.344 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.499 4.305 5.710 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.746 4.938 7.325 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -1.585 5.091 4.014 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -2.772 6.398 4.087 1.00 1.00 H new ATOM 890 N VAL A 62 2.843 5.551 4.021 1.00 1.00 N ATOM 891 CA VAL A 62 3.842 6.030 3.082 1.00 1.00 C ATOM 892 C VAL A 62 4.439 7.339 3.602 1.00 1.00 C ATOM 893 O VAL A 62 5.612 7.627 3.369 1.00 1.00 O ATOM 894 CB VAL A 62 3.227 6.167 1.688 1.00 1.00 C ATOM 895 CG1 VAL A 62 2.868 4.795 1.110 1.00 1.00 C ATOM 896 CG2 VAL A 62 2.006 7.087 1.715 1.00 1.00 C ATOM 0 H VAL A 62 1.941 5.323 3.604 1.00 1.00 H new ATOM 0 HA VAL A 62 4.658 5.312 2.994 1.00 1.00 H new ATOM 0 HB VAL A 62 3.973 6.621 1.036 1.00 1.00 H new ATOM 0 HG11 VAL A 62 2.433 4.920 0.119 1.00 1.00 H new ATOM 0 HG12 VAL A 62 3.768 4.184 1.037 1.00 1.00 H new ATOM 0 HG13 VAL A 62 2.148 4.302 1.763 1.00 1.00 H new ATOM 0 HG21 VAL A 62 1.588 7.167 0.711 1.00 1.00 H new ATOM 0 HG22 VAL A 62 1.255 6.675 2.389 1.00 1.00 H new ATOM 0 HG23 VAL A 62 2.303 8.076 2.064 1.00 1.00 H new ATOM 906 N SER A 63 3.604 8.097 4.299 1.00 1.00 N ATOM 907 CA SER A 63 4.035 9.369 4.854 1.00 1.00 C ATOM 908 C SER A 63 4.416 9.194 6.325 1.00 1.00 C ATOM 909 O SER A 63 4.010 9.987 7.174 1.00 1.00 O ATOM 910 CB SER A 63 2.942 10.431 4.711 1.00 1.00 C ATOM 911 OG SER A 63 1.999 10.373 5.779 1.00 1.00 O ATOM 0 H SER A 63 2.632 7.855 4.492 1.00 1.00 H new ATOM 0 HA SER A 63 4.908 9.708 4.296 1.00 1.00 H new ATOM 0 HB2 SER A 63 3.399 11.420 4.684 1.00 1.00 H new ATOM 0 HB3 SER A 63 2.424 10.293 3.762 1.00 1.00 H new ATOM 0 HG SER A 63 2.456 10.545 6.629 1.00 1.00 H new ATOM 917 N ALA A 64 5.192 8.153 6.583 1.00 1.00 N ATOM 918 CA ALA A 64 5.634 7.864 7.937 1.00 1.00 C ATOM 919 C ALA A 64 7.057 7.305 7.896 1.00 1.00 C ATOM 920 O ALA A 64 7.912 7.716 8.679 1.00 1.00 O ATOM 921 CB ALA A 64 4.648 6.902 8.601 1.00 1.00 C ATOM 0 H ALA A 64 5.527 7.498 5.877 1.00 1.00 H new ATOM 0 HA ALA A 64 5.655 8.774 8.537 1.00 1.00 H new ATOM 0 HB1 ALA A 64 4.979 6.685 9.617 1.00 1.00 H new ATOM 0 HB2 ALA A 64 3.659 7.359 8.632 1.00 1.00 H new ATOM 0 HB3 ALA A 64 4.602 5.976 8.029 1.00 1.00 H new ATOM 927 N ARG A 65 7.268 6.375 6.975 1.00 1.00 N ATOM 928 CA ARG A 65 8.573 5.755 6.823 1.00 1.00 C ATOM 929 C ARG A 65 9.658 6.827 6.697 1.00 1.00 C ATOM 930 O ARG A 65 9.546 7.738 5.878 1.00 1.00 O ATOM 931 CB ARG A 65 8.613 4.852 5.588 1.00 1.00 C ATOM 932 CG ARG A 65 7.378 3.951 5.529 1.00 1.00 C ATOM 933 CD ARG A 65 7.779 2.475 5.484 1.00 1.00 C ATOM 934 NE ARG A 65 6.642 1.656 5.007 1.00 1.00 N ATOM 935 CZ ARG A 65 6.134 1.723 3.770 1.00 1.00 C ATOM 936 NH1 ARG A 65 6.660 2.571 2.875 1.00 1.00 N ATOM 937 NH2 ARG A 65 5.101 0.941 3.426 1.00 1.00 N ATOM 0 H ARG A 65 6.557 6.036 6.327 1.00 1.00 H new ATOM 0 HA ARG A 65 8.757 5.148 7.709 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.665 5.464 4.687 1.00 1.00 H new ATOM 0 HB3 ARG A 65 9.514 4.239 5.610 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.748 4.134 6.399 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.785 4.198 4.648 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.636 2.342 4.823 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.087 2.143 6.476 1.00 1.00 H new ATOM 0 HE ARG A 65 6.219 0.999 5.662 1.00 1.00 H new ATOM 0 HH11 ARG A 65 7.447 3.165 3.136 1.00 1.00 H new ATOM 0 HH12 ARG A 65 6.273 2.622 1.933 1.00 1.00 H new ATOM 0 HH21 ARG A 65 4.702 0.295 4.107 1.00 1.00 H new ATOM 0 HH22 ARG A 65 4.714 0.992 2.484 1.00 1.00 H new ATOM 951 N LYS A 66 10.686 6.682 7.521 1.00 1.00 N ATOM 952 CA LYS A 66 11.790 7.627 7.513 1.00 1.00 C ATOM 953 C LYS A 66 13.043 6.934 6.972 1.00 1.00 C ATOM 954 O LYS A 66 13.418 5.863 7.446 1.00 1.00 O ATOM 955 CB LYS A 66 11.980 8.243 8.900 1.00 1.00 C ATOM 956 CG LYS A 66 13.268 9.064 8.965 1.00 1.00 C ATOM 957 CD LYS A 66 14.382 8.284 9.666 1.00 1.00 C ATOM 958 CE LYS A 66 15.530 9.210 10.070 1.00 1.00 C ATOM 959 NZ LYS A 66 15.125 10.077 11.199 1.00 1.00 N ATOM 0 H LYS A 66 10.777 5.925 8.198 1.00 1.00 H new ATOM 0 HA LYS A 66 11.572 8.462 6.847 1.00 1.00 H new ATOM 0 HB2 LYS A 66 11.127 8.879 9.139 1.00 1.00 H new ATOM 0 HB3 LYS A 66 12.010 7.454 9.651 1.00 1.00 H new ATOM 0 HG2 LYS A 66 13.585 9.330 7.957 1.00 1.00 H new ATOM 0 HG3 LYS A 66 13.082 9.997 9.497 1.00 1.00 H new ATOM 0 HD2 LYS A 66 13.982 7.788 10.550 1.00 1.00 H new ATOM 0 HD3 LYS A 66 14.756 7.503 9.004 1.00 1.00 H new ATOM 0 HE2 LYS A 66 16.400 8.618 10.353 1.00 1.00 H new ATOM 0 HE3 LYS A 66 15.825 9.825 9.220 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 15.972 10.470 11.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 14.531 10.854 10.845 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 14.586 9.517 11.891 1.00 1.00 H new ATOM 973 N ASN A 67 13.656 7.575 5.987 1.00 1.00 N ATOM 974 CA ASN A 67 14.859 7.034 5.377 1.00 1.00 C ATOM 975 C ASN A 67 15.721 6.375 6.455 1.00 1.00 C ATOM 976 O ASN A 67 16.291 7.059 7.303 1.00 1.00 O ATOM 977 CB ASN A 67 15.687 8.139 4.719 1.00 1.00 C ATOM 978 CG ASN A 67 16.105 9.195 5.745 1.00 1.00 C ATOM 979 OD1 ASN A 67 17.174 9.141 6.329 1.00 1.00 O ATOM 980 ND2 ASN A 67 15.204 10.157 5.929 1.00 1.00 N ATOM 0 H ASN A 67 13.342 8.463 5.597 1.00 1.00 H new ATOM 0 HA ASN A 67 14.557 6.310 4.620 1.00 1.00 H new ATOM 0 HB2 ASN A 67 16.573 7.707 4.255 1.00 1.00 H new ATOM 0 HB3 ASN A 67 15.108 8.608 3.924 1.00 1.00 H new ATOM 0 HD21 ASN A 67 15.389 10.909 6.592 1.00 1.00 H new ATOM 0 HD22 ASN A 67 14.328 10.142 5.407 1.00 1.00 H new ATOM 987 N CYS A 68 15.790 5.054 6.387 1.00 1.00 N ATOM 988 CA CYS A 68 16.572 4.295 7.348 1.00 1.00 C ATOM 989 C CYS A 68 17.436 3.294 6.579 1.00 1.00 C ATOM 990 O CYS A 68 16.940 2.271 6.109 1.00 1.00 O ATOM 991 CB CYS A 68 15.683 3.604 8.384 1.00 1.00 C ATOM 992 SG CYS A 68 16.547 3.072 9.906 1.00 1.00 S ATOM 0 H CYS A 68 15.317 4.490 5.681 1.00 1.00 H new ATOM 0 HA CYS A 68 17.214 4.971 7.912 1.00 1.00 H new ATOM 0 HB2 CYS A 68 14.876 4.283 8.660 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.221 2.732 7.922 1.00 1.00 H new ATOM 997 N GLY A 69 18.716 3.623 6.474 1.00 1.00 N ATOM 998 CA GLY A 69 19.654 2.765 5.770 1.00 1.00 C ATOM 999 C GLY A 69 20.112 3.413 4.461 1.00 1.00 C ATOM 1000 O GLY A 69 20.172 4.636 4.357 1.00 1.00 O ATOM 0 H GLY A 69 19.125 4.472 6.865 1.00 1.00 H new ATOM 0 HA2 GLY A 69 20.518 2.567 6.404 1.00 1.00 H new ATOM 0 HA3 GLY A 69 19.186 1.803 5.560 1.00 1.00 H new ATOM 1004 N TYR A 70 20.424 2.561 3.495 1.00 1.00 N ATOM 1005 CA TYR A 70 20.875 3.035 2.197 1.00 1.00 C ATOM 1006 C TYR A 70 19.944 2.550 1.083 1.00 1.00 C ATOM 1007 O TYR A 70 19.292 1.516 1.220 1.00 1.00 O ATOM 1008 CB TYR A 70 22.262 2.427 1.986 1.00 1.00 C ATOM 1009 CG TYR A 70 22.597 1.288 2.951 1.00 1.00 C ATOM 1010 CD1 TYR A 70 22.653 1.528 4.309 1.00 1.00 C ATOM 1011 CD2 TYR A 70 22.842 0.020 2.463 1.00 1.00 C ATOM 1012 CE1 TYR A 70 22.967 0.455 5.217 1.00 1.00 C ATOM 1013 CE2 TYR A 70 23.157 -1.052 3.372 1.00 1.00 C ATOM 1014 CZ TYR A 70 23.204 -0.782 4.704 1.00 1.00 C ATOM 1015 OH TYR A 70 23.501 -1.795 5.562 1.00 1.00 O ATOM 0 H TYR A 70 20.373 1.546 3.585 1.00 1.00 H new ATOM 0 HA TYR A 70 20.887 4.125 2.169 1.00 1.00 H new ATOM 0 HB2 TYR A 70 22.333 2.056 0.964 1.00 1.00 H new ATOM 0 HB3 TYR A 70 23.011 3.212 2.093 1.00 1.00 H new ATOM 0 HD1 TYR A 70 22.461 2.520 4.691 1.00 1.00 H new ATOM 0 HD2 TYR A 70 22.798 -0.168 1.400 1.00 1.00 H new ATOM 0 HE1 TYR A 70 23.013 0.629 6.282 1.00 1.00 H new ATOM 0 HE2 TYR A 70 23.352 -2.048 3.004 1.00 1.00 H new ATOM 0 HH TYR A 70 23.645 -2.621 5.055 1.00 1.00 H new ATOM 1025 N PRO A 71 19.912 3.341 -0.023 1.00 1.00 N ATOM 1026 CA PRO A 71 19.072 3.004 -1.159 1.00 1.00 C ATOM 1027 C PRO A 71 19.673 1.847 -1.961 1.00 1.00 C ATOM 1028 O PRO A 71 19.188 1.520 -3.043 1.00 1.00 O ATOM 1029 CB PRO A 71 18.961 4.290 -1.962 1.00 1.00 C ATOM 1030 CG PRO A 71 20.113 5.169 -1.502 1.00 1.00 C ATOM 1031 CD PRO A 71 20.670 4.572 -0.219 1.00 1.00 C ATOM 0 HA PRO A 71 18.085 2.650 -0.862 1.00 1.00 H new ATOM 0 HB2 PRO A 71 19.026 4.090 -3.031 1.00 1.00 H new ATOM 0 HB3 PRO A 71 18.003 4.779 -1.787 1.00 1.00 H new ATOM 0 HG2 PRO A 71 20.887 5.217 -2.268 1.00 1.00 H new ATOM 0 HG3 PRO A 71 19.770 6.189 -1.331 1.00 1.00 H new ATOM 0 HD2 PRO A 71 21.737 4.370 -0.307 1.00 1.00 H new ATOM 0 HD3 PRO A 71 20.543 5.253 0.622 1.00 1.00 H new ATOM 1039 N GLY A 72 20.720 1.262 -1.400 1.00 1.00 N ATOM 1040 CA GLY A 72 21.392 0.149 -2.049 1.00 1.00 C ATOM 1041 C GLY A 72 21.144 -1.158 -1.294 1.00 1.00 C ATOM 1042 O GLY A 72 21.363 -2.242 -1.833 1.00 1.00 O ATOM 0 H GLY A 72 21.120 1.537 -0.503 1.00 1.00 H new ATOM 0 HA2 GLY A 72 21.036 0.053 -3.075 1.00 1.00 H new ATOM 0 HA3 GLY A 72 22.463 0.346 -2.100 1.00 1.00 H new ATOM 1046 N ILE A 73 20.690 -1.013 -0.057 1.00 1.00 N ATOM 1047 CA ILE A 73 20.409 -2.169 0.777 1.00 1.00 C ATOM 1048 C ILE A 73 19.342 -3.033 0.102 1.00 1.00 C ATOM 1049 O ILE A 73 18.678 -2.588 -0.833 1.00 1.00 O ATOM 1050 CB ILE A 73 20.037 -1.728 2.195 1.00 1.00 C ATOM 1051 CG1 ILE A 73 20.497 -2.759 3.228 1.00 1.00 C ATOM 1052 CG2 ILE A 73 18.538 -1.438 2.303 1.00 1.00 C ATOM 1053 CD1 ILE A 73 20.155 -2.303 4.648 1.00 1.00 C ATOM 0 H ILE A 73 20.510 -0.113 0.387 1.00 1.00 H new ATOM 0 HA ILE A 73 21.300 -2.788 0.883 1.00 1.00 H new ATOM 0 HB ILE A 73 20.562 -0.798 2.413 1.00 1.00 H new ATOM 0 HG12 ILE A 73 20.021 -3.719 3.026 1.00 1.00 H new ATOM 0 HG13 ILE A 73 21.573 -2.912 3.140 1.00 1.00 H new ATOM 0 HG21 ILE A 73 18.300 -1.127 3.320 1.00 1.00 H new ATOM 0 HG22 ILE A 73 18.270 -0.642 1.608 1.00 1.00 H new ATOM 0 HG23 ILE A 73 17.975 -2.338 2.058 1.00 1.00 H new ATOM 0 HD11 ILE A 73 20.493 -3.054 5.362 1.00 1.00 H new ATOM 0 HD12 ILE A 73 20.652 -1.355 4.855 1.00 1.00 H new ATOM 0 HD13 ILE A 73 19.076 -2.175 4.739 1.00 1.00 H new ATOM 1065 N SER A 74 19.212 -4.254 0.601 1.00 1.00 N ATOM 1066 CA SER A 74 18.237 -5.185 0.058 1.00 1.00 C ATOM 1067 C SER A 74 17.353 -5.730 1.180 1.00 1.00 C ATOM 1068 O SER A 74 17.481 -5.319 2.332 1.00 1.00 O ATOM 1069 CB SER A 74 18.926 -6.333 -0.682 1.00 1.00 C ATOM 1070 OG SER A 74 20.302 -6.059 -0.932 1.00 1.00 O ATOM 0 H SER A 74 19.766 -4.620 1.375 1.00 1.00 H new ATOM 0 HA SER A 74 17.614 -4.650 -0.658 1.00 1.00 H new ATOM 0 HB2 SER A 74 18.840 -7.247 -0.094 1.00 1.00 H new ATOM 0 HB3 SER A 74 18.415 -6.513 -1.628 1.00 1.00 H new ATOM 0 HG SER A 74 20.706 -6.817 -1.404 1.00 1.00 H new ATOM 1076 N PRO A 75 16.451 -6.672 0.794 1.00 1.00 N ATOM 1077 CA PRO A 75 15.544 -7.278 1.755 1.00 1.00 C ATOM 1078 C PRO A 75 16.278 -8.292 2.636 1.00 1.00 C ATOM 1079 O PRO A 75 17.421 -8.649 2.358 1.00 1.00 O ATOM 1080 CB PRO A 75 14.444 -7.907 0.915 1.00 1.00 C ATOM 1081 CG PRO A 75 15.013 -8.034 -0.489 1.00 1.00 C ATOM 1082 CD PRO A 75 16.269 -7.183 -0.561 1.00 1.00 C ATOM 0 HA PRO A 75 15.127 -6.554 2.455 1.00 1.00 H new ATOM 0 HB2 PRO A 75 14.159 -8.882 1.311 1.00 1.00 H new ATOM 0 HB3 PRO A 75 13.547 -7.287 0.918 1.00 1.00 H new ATOM 0 HG2 PRO A 75 15.244 -9.075 -0.715 1.00 1.00 H new ATOM 0 HG3 PRO A 75 14.284 -7.702 -1.228 1.00 1.00 H new ATOM 0 HD2 PRO A 75 17.128 -7.772 -0.880 1.00 1.00 H new ATOM 0 HD3 PRO A 75 16.156 -6.370 -1.278 1.00 1.00 H new ATOM 1090 N GLU A 76 15.589 -8.726 3.682 1.00 1.00 N ATOM 1091 CA GLU A 76 16.160 -9.691 4.605 1.00 1.00 C ATOM 1092 C GLU A 76 17.280 -9.044 5.423 1.00 1.00 C ATOM 1093 O GLU A 76 17.285 -9.129 6.651 1.00 1.00 O ATOM 1094 CB GLU A 76 16.669 -10.928 3.861 1.00 1.00 C ATOM 1095 CG GLU A 76 16.879 -12.098 4.823 1.00 1.00 C ATOM 1096 CD GLU A 76 18.368 -12.386 5.021 1.00 1.00 C ATOM 1097 OE1 GLU A 76 18.950 -13.014 4.110 1.00 1.00 O ATOM 1098 OE2 GLU A 76 18.891 -11.971 6.078 1.00 1.00 O ATOM 0 H GLU A 76 14.641 -8.427 3.910 1.00 1.00 H new ATOM 0 HA GLU A 76 15.377 -10.017 5.290 1.00 1.00 H new ATOM 0 HB2 GLU A 76 15.955 -11.212 3.088 1.00 1.00 H new ATOM 0 HB3 GLU A 76 17.607 -10.694 3.357 1.00 1.00 H new ATOM 0 HG2 GLU A 76 16.418 -11.870 5.784 1.00 1.00 H new ATOM 0 HG3 GLU A 76 16.382 -12.987 4.434 1.00 1.00 H new ATOM 1105 N ASP A 77 18.202 -8.413 4.711 1.00 1.00 N ATOM 1106 CA ASP A 77 19.323 -7.752 5.355 1.00 1.00 C ATOM 1107 C ASP A 77 18.837 -6.463 6.021 1.00 1.00 C ATOM 1108 O ASP A 77 19.110 -6.224 7.196 1.00 1.00 O ATOM 1109 CB ASP A 77 20.403 -7.381 4.337 1.00 1.00 C ATOM 1110 CG ASP A 77 20.884 -8.533 3.455 1.00 1.00 C ATOM 1111 OD1 ASP A 77 20.849 -9.680 3.952 1.00 1.00 O ATOM 1112 OD2 ASP A 77 21.277 -8.243 2.305 1.00 1.00 O ATOM 0 H ASP A 77 18.195 -8.346 3.693 1.00 1.00 H new ATOM 0 HA ASP A 77 19.742 -8.439 6.090 1.00 1.00 H new ATOM 0 HB2 ASP A 77 20.019 -6.588 3.695 1.00 1.00 H new ATOM 0 HB3 ASP A 77 21.260 -6.971 4.872 1.00 1.00 H new ATOM 1117 N CYS A 78 18.124 -5.665 5.240 1.00 1.00 N ATOM 1118 CA CYS A 78 17.597 -4.406 5.739 1.00 1.00 C ATOM 1119 C CYS A 78 16.957 -4.660 7.105 1.00 1.00 C ATOM 1120 O CYS A 78 17.084 -3.843 8.016 1.00 1.00 O ATOM 1121 CB CYS A 78 16.609 -3.776 4.754 1.00 1.00 C ATOM 1122 SG CYS A 78 15.872 -2.196 5.310 1.00 1.00 S ATOM 0 H CYS A 78 17.899 -5.866 4.266 1.00 1.00 H new ATOM 0 HA CYS A 78 18.409 -3.687 5.848 1.00 1.00 H new ATOM 0 HB2 CYS A 78 17.120 -3.608 3.806 1.00 1.00 H new ATOM 0 HB3 CYS A 78 15.806 -4.487 4.562 1.00 1.00 H new ATOM 1127 N ALA A 79 16.283 -5.797 7.204 1.00 1.00 N ATOM 1128 CA ALA A 79 15.623 -6.169 8.445 1.00 1.00 C ATOM 1129 C ALA A 79 16.611 -6.924 9.336 1.00 1.00 C ATOM 1130 O ALA A 79 16.596 -6.769 10.556 1.00 1.00 O ATOM 1131 CB ALA A 79 14.373 -6.993 8.131 1.00 1.00 C ATOM 0 H ALA A 79 16.180 -6.472 6.446 1.00 1.00 H new ATOM 0 HA ALA A 79 15.300 -5.282 8.989 1.00 1.00 H new ATOM 0 HB1 ALA A 79 13.878 -7.272 9.061 1.00 1.00 H new ATOM 0 HB2 ALA A 79 13.691 -6.401 7.520 1.00 1.00 H new ATOM 0 HB3 ALA A 79 14.658 -7.894 7.587 1.00 1.00 H new ATOM 1137 N ALA A 80 17.447 -7.726 8.691 1.00 1.00 N ATOM 1138 CA ALA A 80 18.440 -8.506 9.410 1.00 1.00 C ATOM 1139 C ALA A 80 19.708 -7.669 9.589 1.00 1.00 C ATOM 1140 O ALA A 80 20.787 -8.213 9.821 1.00 1.00 O ATOM 1141 CB ALA A 80 18.704 -9.813 8.659 1.00 1.00 C ATOM 0 H ALA A 80 17.457 -7.852 7.679 1.00 1.00 H new ATOM 0 HA ALA A 80 18.076 -8.769 10.403 1.00 1.00 H new ATOM 0 HB1 ALA A 80 19.449 -10.398 9.198 1.00 1.00 H new ATOM 0 HB2 ALA A 80 17.778 -10.384 8.585 1.00 1.00 H new ATOM 0 HB3 ALA A 80 19.073 -9.589 7.658 1.00 1.00 H new ATOM 1147 N ARG A 81 19.536 -6.360 9.474 1.00 1.00 N ATOM 1148 CA ARG A 81 20.653 -5.443 9.619 1.00 1.00 C ATOM 1149 C ARG A 81 20.288 -4.309 10.580 1.00 1.00 C ATOM 1150 O ARG A 81 21.052 -3.990 11.488 1.00 1.00 O ATOM 1151 CB ARG A 81 21.058 -4.849 8.269 1.00 1.00 C ATOM 1152 CG ARG A 81 21.689 -5.913 7.368 1.00 1.00 C ATOM 1153 CD ARG A 81 23.182 -6.070 7.669 1.00 1.00 C ATOM 1154 NE ARG A 81 23.374 -7.007 8.799 1.00 1.00 N ATOM 1155 CZ ARG A 81 23.436 -8.339 8.668 1.00 1.00 C ATOM 1156 NH1 ARG A 81 23.320 -8.899 7.457 1.00 1.00 N ATOM 1157 NH2 ARG A 81 23.613 -9.110 9.750 1.00 1.00 N ATOM 0 H ARG A 81 18.639 -5.913 9.282 1.00 1.00 H new ATOM 0 HA ARG A 81 21.495 -6.007 10.021 1.00 1.00 H new ATOM 0 HB2 ARG A 81 20.183 -4.424 7.778 1.00 1.00 H new ATOM 0 HB3 ARG A 81 21.764 -4.033 8.424 1.00 1.00 H new ATOM 0 HG2 ARG A 81 21.182 -6.867 7.515 1.00 1.00 H new ATOM 0 HG3 ARG A 81 21.552 -5.637 6.322 1.00 1.00 H new ATOM 0 HD2 ARG A 81 23.703 -6.440 6.786 1.00 1.00 H new ATOM 0 HD3 ARG A 81 23.617 -5.100 7.912 1.00 1.00 H new ATOM 0 HE ARG A 81 23.465 -6.614 9.736 1.00 1.00 H new ATOM 0 HH11 ARG A 81 23.184 -8.311 6.634 1.00 1.00 H new ATOM 0 HH12 ARG A 81 23.367 -9.913 7.357 1.00 1.00 H new ATOM 0 HH21 ARG A 81 23.700 -8.683 10.672 1.00 1.00 H new ATOM 0 HH22 ARG A 81 23.660 -10.124 9.651 1.00 1.00 H new ATOM 1171 N ASN A 82 19.120 -3.732 10.344 1.00 1.00 N ATOM 1172 CA ASN A 82 18.643 -2.640 11.176 1.00 1.00 C ATOM 1173 C ASN A 82 17.764 -1.711 10.337 1.00 1.00 C ATOM 1174 O ASN A 82 18.247 -1.061 9.411 1.00 1.00 O ATOM 1175 CB ASN A 82 19.810 -1.816 11.725 1.00 1.00 C ATOM 1176 CG ASN A 82 20.179 -2.265 13.141 1.00 1.00 C ATOM 1177 OD1 ASN A 82 19.333 -2.458 13.999 1.00 1.00 O ATOM 1178 ND2 ASN A 82 21.484 -2.420 13.337 1.00 1.00 N ATOM 0 H ASN A 82 18.489 -4.000 9.589 1.00 1.00 H new ATOM 0 HA ASN A 82 18.081 -3.069 12.006 1.00 1.00 H new ATOM 0 HB2 ASN A 82 20.674 -1.921 11.069 1.00 1.00 H new ATOM 0 HB3 ASN A 82 19.542 -0.759 11.733 1.00 1.00 H new ATOM 0 HD21 ASN A 82 21.831 -2.717 14.249 1.00 1.00 H new ATOM 0 HD22 ASN A 82 22.139 -2.242 12.576 1.00 1.00 H new ATOM 1185 N CYS A 83 16.487 -1.677 10.691 1.00 1.00 N ATOM 1186 CA CYS A 83 15.536 -0.839 9.982 1.00 1.00 C ATOM 1187 C CYS A 83 14.507 -1.746 9.304 1.00 1.00 C ATOM 1188 O CYS A 83 14.841 -2.840 8.852 1.00 1.00 O ATOM 1189 CB CYS A 83 16.231 0.083 8.979 1.00 1.00 C ATOM 1190 SG CYS A 83 17.328 1.343 9.726 1.00 1.00 S ATOM 0 H CYS A 83 16.089 -2.217 11.460 1.00 1.00 H new ATOM 0 HA CYS A 83 15.030 -0.182 10.690 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.817 -0.527 8.292 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.470 0.590 8.385 1.00 1.00 H new ATOM 1195 N CYS A 84 13.276 -1.259 9.257 1.00 1.00 N ATOM 1196 CA CYS A 84 12.196 -2.013 8.642 1.00 1.00 C ATOM 1197 C CYS A 84 12.420 -2.026 7.129 1.00 1.00 C ATOM 1198 O CYS A 84 13.262 -1.291 6.615 1.00 1.00 O ATOM 1199 CB CYS A 84 10.825 -1.440 9.011 1.00 1.00 C ATOM 1200 SG CYS A 84 10.161 -2.015 10.616 1.00 1.00 S ATOM 0 H CYS A 84 13.002 -0.352 9.634 1.00 1.00 H new ATOM 0 HA CYS A 84 12.203 -3.036 9.018 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.895 -0.352 9.031 1.00 1.00 H new ATOM 0 HB3 CYS A 84 10.115 -1.700 8.226 1.00 1.00 H new ATOM 1205 N PHE A 85 11.653 -2.872 6.457 1.00 1.00 N ATOM 1206 CA PHE A 85 11.757 -2.991 5.012 1.00 1.00 C ATOM 1207 C PHE A 85 10.385 -3.227 4.380 1.00 1.00 C ATOM 1208 O PHE A 85 9.897 -4.356 4.350 1.00 1.00 O ATOM 1209 CB PHE A 85 12.652 -4.200 4.728 1.00 1.00 C ATOM 1210 CG PHE A 85 12.935 -4.427 3.241 1.00 1.00 C ATOM 1211 CD1 PHE A 85 12.050 -5.122 2.478 1.00 1.00 C ATOM 1212 CD2 PHE A 85 14.073 -3.934 2.683 1.00 1.00 C ATOM 1213 CE1 PHE A 85 12.313 -5.333 1.099 1.00 1.00 C ATOM 1214 CE2 PHE A 85 14.336 -4.145 1.304 1.00 1.00 C ATOM 1215 CZ PHE A 85 13.451 -4.840 0.540 1.00 1.00 C ATOM 0 H PHE A 85 10.957 -3.482 6.886 1.00 1.00 H new ATOM 0 HA PHE A 85 12.166 -2.073 4.591 1.00 1.00 H new ATOM 0 HB2 PHE A 85 13.599 -4.070 5.252 1.00 1.00 H new ATOM 0 HB3 PHE A 85 12.181 -5.093 5.138 1.00 1.00 H new ATOM 0 HD1 PHE A 85 11.146 -5.514 2.921 1.00 1.00 H new ATOM 0 HD2 PHE A 85 14.776 -3.382 3.289 1.00 1.00 H new ATOM 0 HE1 PHE A 85 11.609 -5.885 0.494 1.00 1.00 H new ATOM 0 HE2 PHE A 85 15.240 -3.753 0.861 1.00 1.00 H new ATOM 0 HZ PHE A 85 13.651 -5.000 -0.509 1.00 1.00 H new ATOM 1225 N SER A 86 9.799 -2.144 3.892 1.00 1.00 N ATOM 1226 CA SER A 86 8.491 -2.218 3.263 1.00 1.00 C ATOM 1227 C SER A 86 8.535 -1.554 1.886 1.00 1.00 C ATOM 1228 O SER A 86 8.422 -0.334 1.777 1.00 1.00 O ATOM 1229 CB SER A 86 7.421 -1.560 4.137 1.00 1.00 C ATOM 1230 OG SER A 86 6.136 -1.591 3.521 1.00 1.00 O ATOM 0 H SER A 86 10.206 -1.209 3.919 1.00 1.00 H new ATOM 0 HA SER A 86 8.227 -3.269 3.144 1.00 1.00 H new ATOM 0 HB2 SER A 86 7.374 -2.070 5.099 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.702 -0.526 4.338 1.00 1.00 H new ATOM 0 HG SER A 86 5.803 -2.512 3.506 1.00 1.00 H new ATOM 1236 N ASP A 87 8.697 -2.386 0.868 1.00 1.00 N ATOM 1237 CA ASP A 87 8.757 -1.894 -0.499 1.00 1.00 C ATOM 1238 C ASP A 87 7.345 -1.864 -1.087 1.00 1.00 C ATOM 1239 O ASP A 87 7.153 -1.442 -2.226 1.00 1.00 O ATOM 1240 CB ASP A 87 9.615 -2.809 -1.375 1.00 1.00 C ATOM 1241 CG ASP A 87 8.936 -4.108 -1.813 1.00 1.00 C ATOM 1242 OD1 ASP A 87 8.220 -4.687 -0.968 1.00 1.00 O ATOM 1243 OD2 ASP A 87 9.150 -4.494 -2.983 1.00 1.00 O ATOM 0 H ASP A 87 8.789 -3.398 0.962 1.00 1.00 H new ATOM 0 HA ASP A 87 9.196 -0.896 -0.481 1.00 1.00 H new ATOM 0 HB2 ASP A 87 9.917 -2.257 -2.265 1.00 1.00 H new ATOM 0 HB3 ASP A 87 10.526 -3.058 -0.831 1.00 1.00 H new ATOM 1248 N THR A 88 6.394 -2.316 -0.284 1.00 1.00 N ATOM 1249 CA THR A 88 5.005 -2.346 -0.710 1.00 1.00 C ATOM 1250 C THR A 88 4.698 -1.145 -1.608 1.00 1.00 C ATOM 1251 O THR A 88 3.886 -1.245 -2.526 1.00 1.00 O ATOM 1252 CB THR A 88 4.127 -2.411 0.541 1.00 1.00 C ATOM 1253 OG1 THR A 88 2.803 -2.531 0.030 1.00 1.00 O ATOM 1254 CG2 THR A 88 4.110 -1.090 1.313 1.00 1.00 C ATOM 0 H THR A 88 6.558 -2.665 0.660 1.00 1.00 H new ATOM 0 HA THR A 88 4.795 -3.228 -1.316 1.00 1.00 H new ATOM 0 HB THR A 88 4.483 -3.208 1.193 1.00 1.00 H new ATOM 0 HG1 THR A 88 2.168 -2.581 0.775 1.00 1.00 H new ATOM 0 HG21 THR A 88 3.472 -1.190 2.191 1.00 1.00 H new ATOM 0 HG22 THR A 88 5.123 -0.839 1.627 1.00 1.00 H new ATOM 0 HG23 THR A 88 3.722 -0.299 0.672 1.00 1.00 H new ATOM 1262 N ILE A 89 5.362 -0.039 -1.309 1.00 1.00 N ATOM 1263 CA ILE A 89 5.170 1.180 -2.076 1.00 1.00 C ATOM 1264 C ILE A 89 6.511 1.625 -2.664 1.00 1.00 C ATOM 1265 O ILE A 89 7.507 1.712 -1.948 1.00 1.00 O ATOM 1266 CB ILE A 89 4.487 2.249 -1.222 1.00 1.00 C ATOM 1267 CG1 ILE A 89 2.970 2.052 -1.205 1.00 1.00 C ATOM 1268 CG2 ILE A 89 4.877 3.654 -1.687 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.475 1.726 0.205 1.00 1.00 C ATOM 0 H ILE A 89 6.034 0.039 -0.546 1.00 1.00 H new ATOM 0 HA ILE A 89 4.498 1.000 -2.915 1.00 1.00 H new ATOM 0 HB ILE A 89 4.837 2.140 -0.195 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.478 2.955 -1.567 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.697 1.246 -1.886 1.00 1.00 H new ATOM 0 HG21 ILE A 89 4.378 4.395 -1.063 1.00 1.00 H new ATOM 0 HG22 ILE A 89 5.957 3.778 -1.604 1.00 1.00 H new ATOM 0 HG23 ILE A 89 4.575 3.791 -2.725 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.394 1.591 0.189 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.950 0.809 0.555 1.00 1.00 H new ATOM 0 HD13 ILE A 89 2.728 2.545 0.878 1.00 1.00 H new ATOM 1281 N PRO A 90 6.492 1.901 -3.996 1.00 1.00 N ATOM 1282 CA PRO A 90 7.695 2.334 -4.687 1.00 1.00 C ATOM 1283 C PRO A 90 8.023 3.791 -4.354 1.00 1.00 C ATOM 1284 O PRO A 90 7.125 4.591 -4.096 1.00 1.00 O ATOM 1285 CB PRO A 90 7.401 2.114 -6.162 1.00 1.00 C ATOM 1286 CG PRO A 90 5.889 2.004 -6.275 1.00 1.00 C ATOM 1287 CD PRO A 90 5.331 1.807 -4.875 1.00 1.00 C ATOM 0 HA PRO A 90 8.580 1.775 -4.383 1.00 1.00 H new ATOM 0 HB2 PRO A 90 7.778 2.942 -6.763 1.00 1.00 H new ATOM 0 HB3 PRO A 90 7.887 1.209 -6.526 1.00 1.00 H new ATOM 0 HG2 PRO A 90 5.473 2.904 -6.729 1.00 1.00 H new ATOM 0 HG3 PRO A 90 5.614 1.167 -6.917 1.00 1.00 H new ATOM 0 HD2 PRO A 90 4.589 2.568 -4.634 1.00 1.00 H new ATOM 0 HD3 PRO A 90 4.838 0.840 -4.778 1.00 1.00 H new ATOM 1295 N GLU A 91 9.313 4.093 -4.370 1.00 1.00 N ATOM 1296 CA GLU A 91 9.771 5.438 -4.075 1.00 1.00 C ATOM 1297 C GLU A 91 10.015 5.598 -2.572 1.00 1.00 C ATOM 1298 O GLU A 91 11.156 5.744 -2.137 1.00 1.00 O ATOM 1299 CB GLU A 91 8.773 6.482 -4.581 1.00 1.00 C ATOM 1300 CG GLU A 91 8.215 6.087 -5.950 1.00 1.00 C ATOM 1301 CD GLU A 91 8.486 7.178 -6.988 1.00 1.00 C ATOM 1302 OE1 GLU A 91 9.677 7.514 -7.161 1.00 1.00 O ATOM 1303 OE2 GLU A 91 7.496 7.653 -7.585 1.00 1.00 O ATOM 0 H GLU A 91 10.056 3.427 -4.583 1.00 1.00 H new ATOM 0 HA GLU A 91 10.714 5.601 -4.597 1.00 1.00 H new ATOM 0 HB2 GLU A 91 7.956 6.586 -3.867 1.00 1.00 H new ATOM 0 HB3 GLU A 91 9.261 7.454 -4.650 1.00 1.00 H new ATOM 0 HG2 GLU A 91 8.668 5.150 -6.275 1.00 1.00 H new ATOM 0 HG3 GLU A 91 7.142 5.912 -5.873 1.00 1.00 H new ATOM 1310 N VAL A 92 8.924 5.564 -1.821 1.00 1.00 N ATOM 1311 CA VAL A 92 9.005 5.703 -0.377 1.00 1.00 C ATOM 1312 C VAL A 92 10.227 4.938 0.136 1.00 1.00 C ATOM 1313 O VAL A 92 10.761 4.075 -0.558 1.00 1.00 O ATOM 1314 CB VAL A 92 7.697 5.240 0.268 1.00 1.00 C ATOM 1315 CG1 VAL A 92 6.496 5.949 -0.362 1.00 1.00 C ATOM 1316 CG2 VAL A 92 7.547 3.720 0.176 1.00 1.00 C ATOM 0 H VAL A 92 7.979 5.442 -2.185 1.00 1.00 H new ATOM 0 HA VAL A 92 9.136 6.749 -0.101 1.00 1.00 H new ATOM 0 HB VAL A 92 7.730 5.509 1.324 1.00 1.00 H new ATOM 0 HG11 VAL A 92 5.578 5.603 0.114 1.00 1.00 H new ATOM 0 HG12 VAL A 92 6.594 7.025 -0.221 1.00 1.00 H new ATOM 0 HG13 VAL A 92 6.459 5.725 -1.428 1.00 1.00 H new ATOM 0 HG21 VAL A 92 6.609 3.418 0.642 1.00 1.00 H new ATOM 0 HG22 VAL A 92 7.546 3.417 -0.871 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.379 3.240 0.692 1.00 1.00 H new ATOM 1326 N PRO A 93 10.645 5.291 1.382 1.00 1.00 N ATOM 1327 CA PRO A 93 11.794 4.648 1.997 1.00 1.00 C ATOM 1328 C PRO A 93 11.441 3.239 2.477 1.00 1.00 C ATOM 1329 O PRO A 93 10.966 3.062 3.598 1.00 1.00 O ATOM 1330 CB PRO A 93 12.205 5.576 3.128 1.00 1.00 C ATOM 1331 CG PRO A 93 11.000 6.462 3.400 1.00 1.00 C ATOM 1332 CD PRO A 93 10.037 6.308 2.234 1.00 1.00 C ATOM 0 HA PRO A 93 12.619 4.503 1.300 1.00 1.00 H new ATOM 0 HB2 PRO A 93 12.482 5.009 4.017 1.00 1.00 H new ATOM 0 HB3 PRO A 93 13.073 6.173 2.848 1.00 1.00 H new ATOM 0 HG2 PRO A 93 10.518 6.175 4.334 1.00 1.00 H new ATOM 0 HG3 PRO A 93 11.307 7.502 3.507 1.00 1.00 H new ATOM 0 HD2 PRO A 93 9.049 6.000 2.575 1.00 1.00 H new ATOM 0 HD3 PRO A 93 9.910 7.249 1.698 1.00 1.00 H new ATOM 1340 N TRP A 94 11.687 2.272 1.605 1.00 1.00 N ATOM 1341 CA TRP A 94 11.402 0.884 1.926 1.00 1.00 C ATOM 1342 C TRP A 94 12.062 0.565 3.269 1.00 1.00 C ATOM 1343 O TRP A 94 11.458 -0.081 4.124 1.00 1.00 O ATOM 1344 CB TRP A 94 11.858 -0.044 0.800 1.00 1.00 C ATOM 1345 CG TRP A 94 11.187 0.234 -0.547 1.00 1.00 C ATOM 1346 CD1 TRP A 94 10.262 1.161 -0.832 1.00 1.00 C ATOM 1347 CD2 TRP A 94 11.428 -0.463 -1.788 1.00 1.00 C ATOM 1348 NE1 TRP A 94 9.890 1.113 -2.160 1.00 1.00 N ATOM 1349 CE2 TRP A 94 10.622 0.095 -2.760 1.00 1.00 C ATOM 1350 CE3 TRP A 94 12.298 -1.528 -2.080 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 10.606 -0.346 -4.089 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 12.270 -1.957 -3.411 1.00 1.00 C ATOM 1353 CH2 TRP A 94 11.465 -1.406 -4.402 1.00 1.00 C ATOM 0 H TRP A 94 12.081 2.423 0.676 1.00 1.00 H new ATOM 0 HA TRP A 94 10.328 0.722 2.019 1.00 1.00 H new ATOM 0 HB2 TRP A 94 12.938 0.048 0.682 1.00 1.00 H new ATOM 0 HB3 TRP A 94 11.656 -1.075 1.089 1.00 1.00 H new ATOM 0 HD1 TRP A 94 9.858 1.858 -0.113 1.00 1.00 H new ATOM 0 HE1 TRP A 94 9.204 1.714 -2.617 1.00 1.00 H new ATOM 0 HE3 TRP A 94 12.937 -1.979 -1.336 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 9.966 0.107 -4.832 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 12.920 -2.774 -3.689 1.00 1.00 H new ATOM 0 HH2 TRP A 94 11.502 -1.794 -5.409 1.00 1.00 H new ATOM 1364 N CYS A 95 13.294 1.031 3.412 1.00 1.00 N ATOM 1365 CA CYS A 95 14.043 0.803 4.637 1.00 1.00 C ATOM 1366 C CYS A 95 13.870 2.026 5.541 1.00 1.00 C ATOM 1367 O CYS A 95 14.412 3.092 5.258 1.00 1.00 O ATOM 1368 CB CYS A 95 15.516 0.508 4.351 1.00 1.00 C ATOM 1369 SG CYS A 95 15.826 -1.049 3.441 1.00 1.00 S ATOM 0 H CYS A 95 13.792 1.565 2.700 1.00 1.00 H new ATOM 0 HA CYS A 95 13.655 -0.080 5.145 1.00 1.00 H new ATOM 0 HB2 CYS A 95 15.933 1.336 3.778 1.00 1.00 H new ATOM 0 HB3 CYS A 95 16.055 0.472 5.298 1.00 1.00 H new ATOM 1374 N PHE A 96 13.112 1.828 6.610 1.00 1.00 N ATOM 1375 CA PHE A 96 12.861 2.901 7.557 1.00 1.00 C ATOM 1376 C PHE A 96 13.120 2.438 8.991 1.00 1.00 C ATOM 1377 O PHE A 96 13.622 1.337 9.210 1.00 1.00 O ATOM 1378 CB PHE A 96 11.387 3.287 7.416 1.00 1.00 C ATOM 1379 CG PHE A 96 10.430 2.093 7.407 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.295 1.339 6.282 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.715 1.786 8.521 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.407 0.231 6.274 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.827 0.678 8.513 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.691 -0.076 7.389 1.00 1.00 C ATOM 0 H PHE A 96 12.664 0.941 6.841 1.00 1.00 H new ATOM 0 HA PHE A 96 13.523 3.742 7.350 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.116 3.951 8.237 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.256 3.851 6.493 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.863 1.583 5.396 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.822 2.385 9.413 1.00 1.00 H new ATOM 0 HE1 PHE A 96 9.300 -0.368 5.382 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.260 0.434 9.399 1.00 1.00 H new ATOM 0 HZ PHE A 96 8.015 -0.918 7.382 1.00 1.00 H new ATOM 1394 N PHE A 97 12.766 3.302 9.931 1.00 1.00 N ATOM 1395 CA PHE A 97 12.953 2.995 11.339 1.00 1.00 C ATOM 1396 C PHE A 97 11.657 2.475 11.965 1.00 1.00 C ATOM 1397 O PHE A 97 10.566 2.884 11.571 1.00 1.00 O ATOM 1398 CB PHE A 97 13.353 4.299 12.032 1.00 1.00 C ATOM 1399 CG PHE A 97 14.772 4.768 11.704 1.00 1.00 C ATOM 1400 CD1 PHE A 97 14.994 5.558 10.620 1.00 1.00 C ATOM 1401 CD2 PHE A 97 15.811 4.396 12.498 1.00 1.00 C ATOM 1402 CE1 PHE A 97 16.310 5.994 10.315 1.00 1.00 C ATOM 1403 CE2 PHE A 97 17.129 4.831 12.193 1.00 1.00 C ATOM 1404 CZ PHE A 97 17.350 5.621 11.109 1.00 1.00 C ATOM 0 H PHE A 97 12.351 4.215 9.745 1.00 1.00 H new ATOM 0 HA PHE A 97 13.714 2.223 11.453 1.00 1.00 H new ATOM 0 HB2 PHE A 97 12.648 5.080 11.748 1.00 1.00 H new ATOM 0 HB3 PHE A 97 13.265 4.167 13.110 1.00 1.00 H new ATOM 0 HD1 PHE A 97 14.168 5.854 9.990 1.00 1.00 H new ATOM 0 HD2 PHE A 97 15.635 3.770 13.360 1.00 1.00 H new ATOM 0 HE1 PHE A 97 16.486 6.621 9.453 1.00 1.00 H new ATOM 0 HE2 PHE A 97 17.955 4.534 12.822 1.00 1.00 H new ATOM 0 HZ PHE A 97 18.352 5.953 10.878 1.00 1.00 H new ATOM 1414 N PRO A 98 11.824 1.557 12.955 1.00 1.00 N ATOM 1415 CA PRO A 98 10.681 0.978 13.638 1.00 1.00 C ATOM 1416 C PRO A 98 10.065 1.976 14.620 1.00 1.00 C ATOM 1417 O PRO A 98 10.661 3.011 14.914 1.00 1.00 O ATOM 1418 CB PRO A 98 11.220 -0.270 14.319 1.00 1.00 C ATOM 1419 CG PRO A 98 12.728 -0.093 14.378 1.00 1.00 C ATOM 1420 CD PRO A 98 13.102 1.049 13.446 1.00 1.00 C ATOM 0 HA PRO A 98 9.869 0.725 12.957 1.00 1.00 H new ATOM 0 HB2 PRO A 98 10.800 -0.382 15.319 1.00 1.00 H new ATOM 0 HB3 PRO A 98 10.953 -1.167 13.759 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.047 0.126 15.397 1.00 1.00 H new ATOM 0 HG3 PRO A 98 13.232 -1.012 14.077 1.00 1.00 H new ATOM 0 HD2 PRO A 98 13.661 1.823 13.972 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.732 0.702 12.627 1.00 1.00 H new ATOM 1428 N MET A 99 8.880 1.631 15.101 1.00 1.00 N ATOM 1429 CA MET A 99 8.177 2.483 16.044 1.00 1.00 C ATOM 1430 C MET A 99 8.066 1.811 17.415 1.00 1.00 C ATOM 1431 O MET A 99 8.047 0.585 17.509 1.00 1.00 O ATOM 1432 CB MET A 99 6.776 2.789 15.511 1.00 1.00 C ATOM 1433 CG MET A 99 6.631 4.275 15.172 1.00 1.00 C ATOM 1434 SD MET A 99 5.938 5.153 16.563 1.00 1.00 S ATOM 1435 CE MET A 99 4.446 5.787 15.818 1.00 1.00 C ATOM 0 H MET A 99 8.389 0.772 14.855 1.00 1.00 H new ATOM 0 HA MET A 99 8.742 3.408 16.158 1.00 1.00 H new ATOM 0 HB2 MET A 99 6.582 2.189 14.622 1.00 1.00 H new ATOM 0 HB3 MET A 99 6.030 2.507 16.255 1.00 1.00 H new ATOM 0 HG2 MET A 99 7.604 4.694 14.915 1.00 1.00 H new ATOM 0 HG3 MET A 99 5.990 4.397 14.299 1.00 1.00 H new ATOM 0 HE1 MET A 99 3.889 6.365 16.555 1.00 1.00 H new ATOM 0 HE2 MET A 99 4.704 6.427 14.975 1.00 1.00 H new ATOM 0 HE3 MET A 99 3.832 4.957 15.469 1.00 1.00 H new ATOM 1445 N SER A 100 7.996 2.644 18.442 1.00 1.00 N ATOM 1446 CA SER A 100 7.887 2.146 19.803 1.00 1.00 C ATOM 1447 C SER A 100 6.589 2.643 20.441 1.00 1.00 C ATOM 1448 O SER A 100 6.312 3.841 20.440 1.00 1.00 O ATOM 1449 CB SER A 100 9.091 2.576 20.645 1.00 1.00 C ATOM 1450 OG SER A 100 9.672 1.479 21.345 1.00 1.00 O ATOM 0 H SER A 100 8.013 3.661 18.360 1.00 1.00 H new ATOM 0 HA SER A 100 7.872 1.057 19.768 1.00 1.00 H new ATOM 0 HB2 SER A 100 9.841 3.032 19.999 1.00 1.00 H new ATOM 0 HB3 SER A 100 8.780 3.338 21.359 1.00 1.00 H new ATOM 0 HG SER A 100 10.438 1.794 21.869 1.00 1.00 H new ATOM 1456 N VAL A 101 5.826 1.697 20.969 1.00 1.00 N ATOM 1457 CA VAL A 101 4.564 2.024 21.609 1.00 1.00 C ATOM 1458 C VAL A 101 4.311 1.048 22.759 1.00 1.00 C ATOM 1459 O VAL A 101 4.835 1.228 23.857 1.00 1.00 O ATOM 1460 CB VAL A 101 3.438 2.030 20.572 1.00 1.00 C ATOM 1461 CG1 VAL A 101 3.292 3.411 19.929 1.00 1.00 C ATOM 1462 CG2 VAL A 101 3.665 0.952 19.509 1.00 1.00 C ATOM 0 H VAL A 101 6.058 0.704 20.966 1.00 1.00 H new ATOM 0 HA VAL A 101 4.601 3.026 22.036 1.00 1.00 H new ATOM 0 HB VAL A 101 2.506 1.800 21.089 1.00 1.00 H new ATOM 0 HG11 VAL A 101 2.485 3.388 19.196 1.00 1.00 H new ATOM 0 HG12 VAL A 101 3.062 4.148 20.698 1.00 1.00 H new ATOM 0 HG13 VAL A 101 4.224 3.682 19.434 1.00 1.00 H new ATOM 0 HG21 VAL A 101 2.851 0.978 18.785 1.00 1.00 H new ATOM 0 HG22 VAL A 101 4.610 1.137 18.999 1.00 1.00 H new ATOM 0 HG23 VAL A 101 3.696 -0.028 19.985 1.00 1.00 H new ATOM 1472 N GLU A 102 3.509 0.035 22.468 1.00 1.00 N ATOM 1473 CA GLU A 102 3.180 -0.971 23.464 1.00 1.00 C ATOM 1474 C GLU A 102 1.952 -0.541 24.268 1.00 1.00 C ATOM 1475 O GLU A 102 1.833 -0.867 25.448 1.00 1.00 O ATOM 1476 CB GLU A 102 4.373 -1.240 24.385 1.00 1.00 C ATOM 1477 CG GLU A 102 4.502 -2.733 24.691 1.00 1.00 C ATOM 1478 CD GLU A 102 5.836 -3.037 25.379 1.00 1.00 C ATOM 1479 OE1 GLU A 102 5.973 -2.633 26.554 1.00 1.00 O ATOM 1480 OE2 GLU A 102 6.686 -3.668 24.715 1.00 1.00 O ATOM 0 H GLU A 102 3.077 -0.111 21.556 1.00 1.00 H new ATOM 0 HA GLU A 102 2.943 -1.902 22.948 1.00 1.00 H new ATOM 0 HB2 GLU A 102 5.288 -0.881 23.915 1.00 1.00 H new ATOM 0 HB3 GLU A 102 4.252 -0.683 25.314 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.678 -3.050 25.330 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.426 -3.306 23.767 1.00 1.00 H new ATOM 1487 N ASP A 103 1.071 0.186 23.597 1.00 1.00 N ATOM 1488 CA ASP A 103 -0.144 0.665 24.235 1.00 1.00 C ATOM 1489 C ASP A 103 -1.138 1.111 23.161 1.00 1.00 C ATOM 1490 O ASP A 103 -1.923 2.032 23.380 1.00 1.00 O ATOM 1491 CB ASP A 103 0.145 1.864 25.140 1.00 1.00 C ATOM 1492 CG ASP A 103 1.034 2.943 24.519 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.682 2.627 23.498 1.00 1.00 O ATOM 1494 OD2 ASP A 103 1.046 4.061 25.079 1.00 1.00 O ATOM 0 H ASP A 103 1.174 0.455 22.619 1.00 1.00 H new ATOM 0 HA ASP A 103 -0.553 -0.148 24.834 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -0.803 2.318 25.430 1.00 1.00 H new ATOM 0 HB3 ASP A 103 0.619 1.505 26.053 1.00 1.00 H new ATOM 1499 N CYS A 104 -1.070 0.439 22.021 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.953 0.754 20.911 1.00 1.00 C ATOM 1501 C CYS A 104 -3.387 0.428 21.331 1.00 1.00 C ATOM 1502 O CYS A 104 -4.257 1.298 21.314 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.548 0.011 19.636 1.00 1.00 C ATOM 1504 SG CYS A 104 0.257 -0.154 19.384 1.00 1.00 S ATOM 0 H CYS A 104 -0.416 -0.323 21.842 1.00 1.00 H new ATOM 0 HA CYS A 104 -1.877 1.815 20.673 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.990 -0.985 19.657 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.974 0.531 18.778 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.591 -0.830 21.697 1.00 1.00 N ATOM 1510 CA HIS A 105 -4.906 -1.282 22.121 1.00 1.00 C ATOM 1511 C HIS A 105 -5.937 -0.942 21.043 1.00 1.00 C ATOM 1512 O HIS A 105 -5.665 -0.142 20.149 1.00 1.00 O ATOM 1513 CB HIS A 105 -5.265 -0.701 23.490 1.00 1.00 C ATOM 1514 CG HIS A 105 -5.930 0.654 23.428 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -5.225 1.840 23.535 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -7.239 0.997 23.265 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -6.083 2.846 23.442 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -7.330 2.322 23.276 1.00 1.00 N ATOM 0 H HIS A 105 -2.868 -1.550 21.709 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.901 -2.365 22.241 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.928 -1.396 24.006 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -4.358 -0.622 24.089 1.00 1.00 H new ATOM 0 HD1 HIS A 105 -4.217 1.925 23.664 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -8.062 0.308 23.147 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -5.837 3.897 23.489 1.00 1.00 H new ATOM 1526 N TYR A 106 -7.099 -1.567 21.164 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.172 -1.341 20.211 1.00 1.00 C ATOM 1528 C TYR A 106 -9.192 -0.342 20.761 1.00 1.00 C ATOM 1529 O TYR A 106 -9.809 0.403 20.001 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.857 -2.695 20.018 1.00 1.00 C ATOM 1531 CG TYR A 106 -7.968 -3.755 19.365 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.727 -3.711 18.006 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -7.406 -4.754 20.133 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -6.891 -4.708 17.391 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.570 -5.751 19.518 1.00 1.00 C ATOM 1536 CZ TYR A 106 -6.352 -5.680 18.177 1.00 1.00 C ATOM 1537 OH TYR A 106 -5.562 -6.621 17.596 1.00 1.00 O ATOM 0 H TYR A 106 -7.321 -2.229 21.907 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.778 -0.935 19.279 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.191 -3.063 20.988 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.748 -2.556 19.406 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -8.166 -2.928 17.405 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -7.594 -4.788 21.196 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -6.696 -4.686 16.329 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -6.125 -6.539 20.108 1.00 1.00 H new ATOM 0 HH TYR A 106 -5.247 -7.250 18.278 1.00 1.00 H new