USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -1.05 K(o=-2.4,f=-4.9!) USER MOD Set 1.2: A 106 GLN : amide:sc= -1.39 K(o=-2.4,f=-5.7) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.168 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 47:sc= 0.161 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.00975 K(o=-0.0097,f=-1.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 35 THR OG1 : rot -120:sc= -0.179 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.275) USER MOD Single : A 38 SER OG : rot -141:sc= 1.37 USER MOD Single : A 42 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-5.6!) USER MOD Single : A 44 TYR OH : rot 72:sc= 0.27 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -88:sc= 0.471 USER MOD Single : A 70 TYR OH : rot 143:sc= -0.0302 USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= 0.324 (180deg=0.127) USER MOD Single : A 75 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.89) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= -0.942 (180deg=-1.02) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.223 K(o=-0.22,f=-2.7!) USER MOD Single : A 87 GLN : amide:sc= -2.89 X(o=-2.9,f=-2.9) USER MOD Single : A 88 LYS NZ :NH3+ -127:sc= 0.638 (180deg=-0.0778) USER MOD Single : A 92 THR OG1 : rot -176:sc= 1.19 USER MOD Single : A 98 TYR OH : rot -170:sc= 0.00426 USER MOD Single : A 100 ASN : amide:sc= -5.9! C(o=-5.9!,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot -140:sc= -0.211 USER MOD Single : A 111 MET CE :methyl -126:sc= -1 (180deg=-3.36!) USER MOD Single : A 112 THR OG1 : rot 173:sc= -0.0635 USER MOD Single : A 113 HIS : no HD1:sc= -3.9 K(o=-3.9,f=-16!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= -0.0388 (180deg=-0.323) USER MOD Single : A 118 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.755) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 120 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.63) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -104:sc= 0.807 (180deg=-1.37!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.561 11.676 4.420 1.00 0.00 N ATOM 2 CA ALA A 1 -14.692 11.533 2.955 1.00 0.00 C ATOM 3 C ALA A 1 -13.963 10.271 2.496 1.00 0.00 C ATOM 4 O ALA A 1 -13.113 9.803 3.240 1.00 0.00 O ATOM 5 CB ALA A 1 -14.178 12.791 2.235 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.475 11.470 4.872 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.843 11.010 4.771 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.273 12.648 4.649 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.745 11.429 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.284 12.663 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.757 13.656 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.127 12.947 2.480 1.00 0.00 H new ATOM 13 N PRO A 2 -14.306 9.724 1.313 1.00 0.00 N ATOM 14 CA PRO A 2 -13.626 8.579 0.698 1.00 0.00 C ATOM 15 C PRO A 2 -12.207 8.898 0.195 1.00 0.00 C ATOM 16 O PRO A 2 -11.545 8.031 -0.350 1.00 0.00 O ATOM 17 CB PRO A 2 -14.521 8.141 -0.467 1.00 0.00 C ATOM 18 CG PRO A 2 -15.210 9.438 -0.878 1.00 0.00 C ATOM 19 CD PRO A 2 -15.371 10.194 0.439 1.00 0.00 C ATOM 0 HA PRO A 2 -13.486 7.796 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.939 7.716 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.240 7.382 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.610 10.001 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.173 9.247 -1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.298 11.270 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.349 10.002 0.880 1.00 0.00 H new ATOM 27 N ILE A 3 -11.723 10.119 0.402 1.00 0.00 N ATOM 28 CA ILE A 3 -10.383 10.567 0.056 1.00 0.00 C ATOM 29 C ILE A 3 -9.603 10.848 1.333 1.00 0.00 C ATOM 30 O ILE A 3 -10.032 11.635 2.179 1.00 0.00 O ATOM 31 CB ILE A 3 -10.454 11.788 -0.882 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.039 12.207 -1.351 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.182 12.987 -0.230 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.474 11.299 -2.442 1.00 0.00 C ATOM 0 H ILE A 3 -12.282 10.854 0.835 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.852 9.787 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.038 11.485 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.075 13.231 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.363 12.201 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.206 13.822 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.201 12.698 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.652 13.287 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.481 11.647 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.408 10.278 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.130 11.324 -3.312 1.00 0.00 H new ATOM 46 N VAL A 4 -8.460 10.190 1.447 1.00 0.00 N ATOM 47 CA VAL A 4 -7.506 10.345 2.538 1.00 0.00 C ATOM 48 C VAL A 4 -6.172 10.926 2.061 1.00 0.00 C ATOM 49 O VAL A 4 -5.970 11.167 0.864 1.00 0.00 O ATOM 50 CB VAL A 4 -7.387 9.006 3.284 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.721 8.677 3.981 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.898 7.805 2.457 1.00 0.00 C ATOM 0 H VAL A 4 -8.158 9.505 0.754 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.870 11.086 3.250 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.590 9.163 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.631 7.727 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.964 9.466 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.513 8.605 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.855 6.920 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.587 7.627 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.905 8.016 2.061 1.00 0.00 H new ATOM 62 N THR A 5 -5.260 11.212 2.992 1.00 0.00 N ATOM 63 CA THR A 5 -3.936 11.748 2.667 1.00 0.00 C ATOM 64 C THR A 5 -2.881 11.301 3.651 1.00 0.00 C ATOM 65 O THR A 5 -2.910 11.686 4.813 1.00 0.00 O ATOM 66 CB THR A 5 -3.883 13.275 2.574 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.451 13.902 3.695 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.582 13.781 1.315 1.00 0.00 C ATOM 0 H THR A 5 -5.418 11.079 3.991 1.00 0.00 H new ATOM 0 HA THR A 5 -3.728 11.339 1.678 1.00 0.00 H new ATOM 0 HB THR A 5 -2.825 13.534 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.114 13.479 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.526 14.869 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.093 13.364 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.627 13.472 1.330 1.00 0.00 H new ATOM 76 N CYS A 6 -1.882 10.570 3.158 1.00 0.00 N ATOM 77 CA CYS A 6 -0.812 10.098 4.025 1.00 0.00 C ATOM 78 C CYS A 6 -0.020 11.297 4.583 1.00 0.00 C ATOM 79 O CYS A 6 -0.038 12.374 3.980 1.00 0.00 O ATOM 80 CB CYS A 6 0.092 9.150 3.236 1.00 0.00 C ATOM 81 SG CYS A 6 -0.705 7.872 2.211 1.00 0.00 S ATOM 0 H CYS A 6 -1.794 10.297 2.179 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.230 9.553 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.725 9.754 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.751 8.648 3.945 1.00 0.00 H new ATOM 86 N ARG A 7 0.788 11.076 5.631 1.00 0.00 N ATOM 87 CA ARG A 7 1.690 12.079 6.231 1.00 0.00 C ATOM 88 C ARG A 7 3.193 11.711 6.077 1.00 0.00 C ATOM 89 O ARG A 7 3.949 11.760 7.053 1.00 0.00 O ATOM 90 CB ARG A 7 1.268 12.228 7.693 1.00 0.00 C ATOM 91 CG ARG A 7 1.783 13.519 8.354 1.00 0.00 C ATOM 92 CD ARG A 7 1.782 13.451 9.885 1.00 0.00 C ATOM 93 NE ARG A 7 2.686 12.400 10.389 1.00 0.00 N ATOM 94 CZ ARG A 7 2.364 11.144 10.639 1.00 0.00 C ATOM 95 NH1 ARG A 7 1.136 10.708 10.512 1.00 0.00 N ATOM 96 NH2 ARG A 7 3.266 10.282 11.007 1.00 0.00 N ATOM 0 H ARG A 7 0.836 10.171 6.099 1.00 0.00 H new ATOM 0 HA ARG A 7 1.598 13.030 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.180 12.208 7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.633 11.370 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.796 13.719 8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.164 14.357 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.085 14.416 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.769 13.259 10.239 1.00 0.00 H new ATOM 0 HE ARG A 7 3.654 12.670 10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.397 11.344 10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.918 9.732 10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.239 10.573 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.001 9.316 11.196 1.00 0.00 H new ATOM 110 N PRO A 8 3.652 11.346 4.863 1.00 0.00 N ATOM 111 CA PRO A 8 5.038 11.008 4.573 1.00 0.00 C ATOM 112 C PRO A 8 5.934 12.234 4.669 1.00 0.00 C ATOM 113 O PRO A 8 5.473 13.365 4.819 1.00 0.00 O ATOM 114 CB PRO A 8 5.045 10.456 3.145 1.00 0.00 C ATOM 115 CG PRO A 8 3.864 11.146 2.499 1.00 0.00 C ATOM 116 CD PRO A 8 2.887 11.269 3.645 1.00 0.00 C ATOM 0 HA PRO A 8 5.422 10.283 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.977 10.687 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.934 9.372 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.136 12.120 2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.453 10.561 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.267 12.157 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.215 10.411 3.669 1.00 0.00 H new ATOM 124 N LYS A 9 7.241 12.030 4.498 1.00 0.00 N ATOM 125 CA LYS A 9 8.244 13.091 4.549 1.00 0.00 C ATOM 126 C LYS A 9 9.002 13.216 3.230 1.00 0.00 C ATOM 127 O LYS A 9 9.601 12.264 2.740 1.00 0.00 O ATOM 128 CB LYS A 9 9.182 12.810 5.721 1.00 0.00 C ATOM 129 CG LYS A 9 10.067 14.030 6.015 1.00 0.00 C ATOM 130 CD LYS A 9 11.047 13.724 7.154 1.00 0.00 C ATOM 131 CE LYS A 9 10.397 13.990 8.518 1.00 0.00 C ATOM 132 NZ LYS A 9 11.282 13.576 9.637 1.00 0.00 N ATOM 0 H LYS A 9 7.637 11.108 4.317 1.00 0.00 H new ATOM 0 HA LYS A 9 7.752 14.052 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.599 12.556 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.808 11.947 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.619 14.310 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.443 14.882 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.367 12.684 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.941 14.339 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.165 15.051 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.452 13.451 8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.810 13.771 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.483 12.558 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.174 14.109 9.590 1.00 0.00 H new ATOM 146 N LEU A 10 9.052 14.432 2.703 1.00 0.00 N ATOM 147 CA LEU A 10 9.815 14.684 1.487 1.00 0.00 C ATOM 148 C LEU A 10 11.167 15.289 1.865 1.00 0.00 C ATOM 149 O LEU A 10 12.146 14.570 2.043 1.00 0.00 O ATOM 150 CB LEU A 10 8.957 15.502 0.502 1.00 0.00 C ATOM 151 CG LEU A 10 9.472 15.546 -0.958 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.991 15.412 -1.114 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.718 14.531 -1.835 1.00 0.00 C ATOM 0 H LEU A 10 8.581 15.249 3.091 1.00 0.00 H new ATOM 0 HA LEU A 10 10.053 13.767 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.947 15.091 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.884 16.524 0.874 1.00 0.00 H new ATOM 0 HG LEU A 10 9.253 16.554 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.253 15.454 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.484 16.227 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.317 14.459 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.097 14.580 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.869 13.526 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.654 14.767 -1.831 1.00 0.00 H new ATOM 165 N ASP A 11 11.169 16.602 2.098 1.00 0.00 N ATOM 166 CA ASP A 11 12.376 17.409 2.308 1.00 0.00 C ATOM 167 C ASP A 11 12.440 17.882 3.766 1.00 0.00 C ATOM 168 O ASP A 11 12.551 19.057 4.101 1.00 0.00 O ATOM 169 CB ASP A 11 12.417 18.568 1.299 1.00 0.00 C ATOM 170 CG ASP A 11 13.861 19.022 1.039 1.00 0.00 C ATOM 171 OD1 ASP A 11 14.709 18.127 0.827 1.00 0.00 O ATOM 172 OD2 ASP A 11 14.087 20.251 1.065 1.00 0.00 O ATOM 0 H ASP A 11 10.310 17.150 2.148 1.00 0.00 H new ATOM 0 HA ASP A 11 13.266 16.805 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.956 18.255 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.832 19.406 1.678 1.00 0.00 H new ATOM 177 N GLY A 12 12.162 16.953 4.682 1.00 0.00 N ATOM 178 CA GLY A 12 12.092 17.243 6.116 1.00 0.00 C ATOM 179 C GLY A 12 10.694 17.616 6.610 1.00 0.00 C ATOM 180 O GLY A 12 10.357 17.280 7.746 1.00 0.00 O ATOM 0 H GLY A 12 11.979 15.977 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.441 16.371 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.776 18.060 6.344 1.00 0.00 H new ATOM 184 N ARG A 13 9.868 18.241 5.758 1.00 0.00 N ATOM 185 CA ARG A 13 8.474 18.611 6.058 1.00 0.00 C ATOM 186 C ARG A 13 7.518 17.505 5.629 1.00 0.00 C ATOM 187 O ARG A 13 7.699 16.886 4.576 1.00 0.00 O ATOM 188 CB ARG A 13 8.118 19.937 5.373 1.00 0.00 C ATOM 189 CG ARG A 13 8.841 21.115 6.045 1.00 0.00 C ATOM 190 CD ARG A 13 8.755 22.375 5.183 1.00 0.00 C ATOM 191 NE ARG A 13 7.411 22.994 5.215 1.00 0.00 N ATOM 192 CZ ARG A 13 7.134 24.241 4.880 1.00 0.00 C ATOM 193 NH1 ARG A 13 8.068 25.052 4.469 1.00 0.00 N ATOM 194 NH2 ARG A 13 5.919 24.711 4.951 1.00 0.00 N ATOM 0 H ARG A 13 10.157 18.510 4.818 1.00 0.00 H new ATOM 0 HA ARG A 13 8.374 18.742 7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.392 19.891 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.040 20.095 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.399 21.308 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.886 20.856 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.493 23.099 5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.012 22.125 4.154 1.00 0.00 H new ATOM 0 HE ARG A 13 6.634 22.409 5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.032 24.727 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.834 26.012 4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.158 24.112 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.730 25.678 4.687 1.00 0.00 H new ATOM 208 N GLU A 14 6.520 17.257 6.464 1.00 0.00 N ATOM 209 CA GLU A 14 5.469 16.281 6.197 1.00 0.00 C ATOM 210 C GLU A 14 4.602 16.751 5.024 1.00 0.00 C ATOM 211 O GLU A 14 4.003 17.828 5.079 1.00 0.00 O ATOM 212 CB GLU A 14 4.606 16.060 7.440 1.00 0.00 C ATOM 213 CG GLU A 14 5.419 15.531 8.638 1.00 0.00 C ATOM 214 CD GLU A 14 4.613 15.510 9.945 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.915 16.512 10.210 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.721 14.481 10.660 1.00 0.00 O ATOM 0 H GLU A 14 6.414 17.734 7.359 1.00 0.00 H new ATOM 0 HA GLU A 14 5.937 15.332 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.127 16.999 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.810 15.353 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.769 14.523 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.304 16.153 8.773 1.00 0.00 H new ATOM 223 N LYS A 15 4.584 15.985 3.931 1.00 0.00 N ATOM 224 CA LYS A 15 3.810 16.316 2.733 1.00 0.00 C ATOM 225 C LYS A 15 2.585 15.400 2.609 1.00 0.00 C ATOM 226 O LYS A 15 2.774 14.192 2.544 1.00 0.00 O ATOM 227 CB LYS A 15 4.705 16.212 1.495 1.00 0.00 C ATOM 228 CG LYS A 15 3.937 16.627 0.231 1.00 0.00 C ATOM 229 CD LYS A 15 4.828 16.516 -1.007 1.00 0.00 C ATOM 230 CE LYS A 15 3.980 16.222 -2.251 1.00 0.00 C ATOM 231 NZ LYS A 15 3.811 14.758 -2.446 1.00 0.00 N ATOM 0 H LYS A 15 5.108 15.114 3.852 1.00 0.00 H new ATOM 0 HA LYS A 15 3.448 17.341 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.581 16.849 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.067 15.189 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.058 15.994 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.580 17.651 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.383 17.444 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.563 15.724 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.003 16.694 -2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.455 16.657 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.234 14.585 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.744 14.314 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.337 14.350 -1.615 1.00 0.00 H new ATOM 245 N PRO A 16 1.367 15.942 2.427 1.00 0.00 N ATOM 246 CA PRO A 16 0.142 15.167 2.265 1.00 0.00 C ATOM 247 C PRO A 16 0.170 14.340 0.978 1.00 0.00 C ATOM 248 O PRO A 16 0.216 14.883 -0.136 1.00 0.00 O ATOM 249 CB PRO A 16 -1.002 16.180 2.276 1.00 0.00 C ATOM 250 CG PRO A 16 -0.340 17.464 1.782 1.00 0.00 C ATOM 251 CD PRO A 16 1.086 17.359 2.308 1.00 0.00 C ATOM 0 HA PRO A 16 0.020 14.440 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.818 15.872 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.421 16.302 3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.362 17.533 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.845 18.349 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.789 17.840 1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.184 17.858 3.272 1.00 0.00 H new ATOM 259 N PHE A 17 0.176 13.013 1.105 1.00 0.00 N ATOM 260 CA PHE A 17 0.153 12.137 -0.062 1.00 0.00 C ATOM 261 C PHE A 17 -1.277 11.832 -0.474 1.00 0.00 C ATOM 262 O PHE A 17 -1.941 11.095 0.226 1.00 0.00 O ATOM 263 CB PHE A 17 0.920 10.838 0.186 1.00 0.00 C ATOM 264 CG PHE A 17 1.782 10.382 -0.971 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.472 10.726 -2.304 1.00 0.00 C ATOM 266 CD2 PHE A 17 2.881 9.546 -0.716 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.295 10.301 -3.358 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.725 9.157 -1.762 1.00 0.00 C ATOM 269 CZ PHE A 17 3.430 9.517 -3.088 1.00 0.00 C ATOM 0 H PHE A 17 0.196 12.525 2.000 1.00 0.00 H new ATOM 0 HA PHE A 17 0.651 12.666 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.553 10.968 1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.205 10.049 0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.595 11.320 -2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.075 9.203 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.057 10.576 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.610 8.576 -1.549 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.071 9.193 -3.894 1.00 0.00 H new ATOM 279 N LYS A 18 -1.755 12.396 -1.586 1.00 0.00 N ATOM 280 CA LYS A 18 -3.111 12.173 -2.120 1.00 0.00 C ATOM 281 C LYS A 18 -3.422 10.691 -2.318 1.00 0.00 C ATOM 282 O LYS A 18 -2.694 10.035 -3.060 1.00 0.00 O ATOM 283 CB LYS A 18 -3.279 12.867 -3.471 1.00 0.00 C ATOM 284 CG LYS A 18 -2.920 14.358 -3.427 1.00 0.00 C ATOM 285 CD LYS A 18 -3.107 14.985 -4.812 1.00 0.00 C ATOM 286 CE LYS A 18 -4.590 15.148 -5.172 1.00 0.00 C ATOM 287 NZ LYS A 18 -5.155 16.404 -4.617 1.00 0.00 N ATOM 0 H LYS A 18 -1.202 13.035 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.798 12.587 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.651 12.369 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.311 12.757 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.549 14.870 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.888 14.482 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.618 15.959 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.618 14.362 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.704 15.146 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.153 14.296 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.158 16.480 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.069 16.395 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.634 17.218 -5.001 1.00 0.00 H new ATOM 301 N VAL A 19 -4.524 10.199 -1.759 1.00 0.00 N ATOM 302 CA VAL A 19 -4.911 8.781 -1.801 1.00 0.00 C ATOM 303 C VAL A 19 -6.418 8.635 -1.644 1.00 0.00 C ATOM 304 O VAL A 19 -7.009 9.186 -0.734 1.00 0.00 O ATOM 305 CB VAL A 19 -4.197 7.950 -0.709 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.815 7.534 -1.188 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.997 8.659 0.631 1.00 0.00 C ATOM 0 H VAL A 19 -5.190 10.782 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.603 8.397 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.867 7.107 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.321 6.950 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.909 6.931 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.222 8.423 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.488 7.989 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.394 9.554 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.967 8.939 1.043 1.00 0.00 H new ATOM 317 N ASP A 20 -7.067 7.884 -2.527 1.00 0.00 N ATOM 318 CA ASP A 20 -8.506 7.632 -2.440 1.00 0.00 C ATOM 319 C ASP A 20 -8.780 6.180 -2.052 1.00 0.00 C ATOM 320 O ASP A 20 -8.128 5.244 -2.533 1.00 0.00 O ATOM 321 CB ASP A 20 -9.182 8.024 -3.760 1.00 0.00 C ATOM 322 CG ASP A 20 -10.652 8.403 -3.545 1.00 0.00 C ATOM 323 OD1 ASP A 20 -11.435 7.457 -3.300 1.00 0.00 O ATOM 324 OD2 ASP A 20 -10.964 9.613 -3.620 1.00 0.00 O ATOM 0 H ASP A 20 -6.615 7.433 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.936 8.250 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.650 8.863 -4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.118 7.194 -4.464 1.00 0.00 H new ATOM 329 N VAL A 21 -9.758 6.006 -1.168 1.00 0.00 N ATOM 330 CA VAL A 21 -10.186 4.711 -0.644 1.00 0.00 C ATOM 331 C VAL A 21 -10.689 3.813 -1.759 1.00 0.00 C ATOM 332 O VAL A 21 -10.213 2.689 -1.889 1.00 0.00 O ATOM 333 CB VAL A 21 -11.256 4.823 0.429 1.00 0.00 C ATOM 334 CG1 VAL A 21 -11.474 3.463 1.083 1.00 0.00 C ATOM 335 CG2 VAL A 21 -10.982 5.852 1.534 1.00 0.00 C ATOM 0 H VAL A 21 -10.292 6.786 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.301 4.272 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.141 5.176 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.242 3.548 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.793 2.744 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.543 3.124 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.807 5.850 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.057 5.594 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.887 6.844 1.092 1.00 0.00 H new ATOM 345 N ALA A 22 -11.645 4.306 -2.558 1.00 0.00 N ATOM 346 CA ALA A 22 -12.212 3.601 -3.707 1.00 0.00 C ATOM 347 C ALA A 22 -11.116 2.956 -4.557 1.00 0.00 C ATOM 348 O ALA A 22 -11.199 1.772 -4.879 1.00 0.00 O ATOM 349 CB ALA A 22 -13.050 4.577 -4.550 1.00 0.00 C ATOM 0 H ALA A 22 -12.053 5.230 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.856 2.801 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.471 4.049 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.857 4.983 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.416 5.391 -4.902 1.00 0.00 H new ATOM 355 N THR A 23 -10.064 3.721 -4.872 1.00 0.00 N ATOM 356 CA THR A 23 -8.889 3.207 -5.570 1.00 0.00 C ATOM 357 C THR A 23 -8.186 2.137 -4.743 1.00 0.00 C ATOM 358 O THR A 23 -8.066 1.014 -5.214 1.00 0.00 O ATOM 359 CB THR A 23 -7.902 4.322 -5.926 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.532 5.292 -6.723 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.715 3.785 -6.724 1.00 0.00 C ATOM 0 H THR A 23 -10.008 4.714 -4.648 1.00 0.00 H new ATOM 0 HA THR A 23 -9.244 2.761 -6.499 1.00 0.00 H new ATOM 0 HB THR A 23 -7.555 4.749 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.892 6.001 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.035 4.603 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.189 3.035 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.073 3.333 -7.649 1.00 0.00 H new ATOM 369 N ALA A 24 -7.701 2.442 -3.540 1.00 0.00 N ATOM 370 CA ALA A 24 -6.967 1.482 -2.718 1.00 0.00 C ATOM 371 C ALA A 24 -7.690 0.142 -2.556 1.00 0.00 C ATOM 372 O ALA A 24 -7.122 -0.925 -2.804 1.00 0.00 O ATOM 373 CB ALA A 24 -6.710 2.139 -1.367 1.00 0.00 C ATOM 0 H ALA A 24 -7.806 3.360 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.030 1.235 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.162 1.449 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.123 3.046 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.661 2.392 -0.899 1.00 0.00 H new ATOM 379 N GLN A 25 -8.959 0.209 -2.170 1.00 0.00 N ATOM 380 CA GLN A 25 -9.823 -0.949 -2.036 1.00 0.00 C ATOM 381 C GLN A 25 -9.966 -1.689 -3.362 1.00 0.00 C ATOM 382 O GLN A 25 -9.849 -2.915 -3.376 1.00 0.00 O ATOM 383 CB GLN A 25 -11.202 -0.519 -1.532 1.00 0.00 C ATOM 384 CG GLN A 25 -11.913 -1.729 -0.919 1.00 0.00 C ATOM 385 CD GLN A 25 -13.292 -1.357 -0.419 1.00 0.00 C ATOM 386 OE1 GLN A 25 -14.261 -1.357 -1.155 1.00 0.00 O ATOM 387 NE2 GLN A 25 -13.439 -1.071 0.854 1.00 0.00 N ATOM 0 H GLN A 25 -9.421 1.088 -1.938 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.367 -1.627 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.101 0.273 -0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.792 -0.113 -2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.994 -2.522 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.319 -2.125 -0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.629 -1.070 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.364 -0.850 1.224 1.00 0.00 H new ATOM 396 N ALA A 26 -10.195 -0.960 -4.463 1.00 0.00 N ATOM 397 CA ALA A 26 -10.286 -1.530 -5.801 1.00 0.00 C ATOM 398 C ALA A 26 -9.047 -2.362 -6.109 1.00 0.00 C ATOM 399 O ALA A 26 -9.210 -3.501 -6.520 1.00 0.00 O ATOM 400 CB ALA A 26 -10.503 -0.449 -6.870 1.00 0.00 C ATOM 0 H ALA A 26 -10.323 0.052 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.159 -2.183 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.565 -0.916 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.430 0.086 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.668 0.252 -6.854 1.00 0.00 H new ATOM 406 N GLN A 27 -7.844 -1.847 -5.854 1.00 0.00 N ATOM 407 CA GLN A 27 -6.584 -2.545 -6.111 1.00 0.00 C ATOM 408 C GLN A 27 -6.466 -3.819 -5.264 1.00 0.00 C ATOM 409 O GLN A 27 -6.289 -4.904 -5.814 1.00 0.00 O ATOM 410 CB GLN A 27 -5.403 -1.610 -5.838 1.00 0.00 C ATOM 411 CG GLN A 27 -5.409 -0.277 -6.590 1.00 0.00 C ATOM 412 CD GLN A 27 -5.100 -0.380 -8.075 1.00 0.00 C ATOM 413 OE1 GLN A 27 -4.104 -0.922 -8.505 1.00 0.00 O ATOM 414 NE2 GLN A 27 -5.938 0.164 -8.926 1.00 0.00 N ATOM 0 H GLN A 27 -7.716 -0.917 -5.456 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.569 -2.843 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.372 -1.400 -4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.483 -2.139 -6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.387 0.188 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.680 0.388 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.782 0.625 -8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.745 0.126 -9.927 1.00 0.00 H new ATOM 423 N ALA A 28 -6.659 -3.706 -3.945 1.00 0.00 N ATOM 424 CA ALA A 28 -6.595 -4.838 -3.021 1.00 0.00 C ATOM 425 C ALA A 28 -7.590 -5.940 -3.391 1.00 0.00 C ATOM 426 O ALA A 28 -7.242 -7.120 -3.483 1.00 0.00 O ATOM 427 CB ALA A 28 -6.893 -4.343 -1.610 1.00 0.00 C ATOM 0 H ALA A 28 -6.866 -2.818 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.593 -5.264 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.848 -5.180 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.156 -3.593 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.889 -3.901 -1.582 1.00 0.00 H new ATOM 433 N ARG A 29 -8.854 -5.557 -3.612 1.00 0.00 N ATOM 434 CA ARG A 29 -9.906 -6.475 -4.043 1.00 0.00 C ATOM 435 C ARG A 29 -9.616 -7.084 -5.404 1.00 0.00 C ATOM 436 O ARG A 29 -9.853 -8.274 -5.586 1.00 0.00 O ATOM 437 CB ARG A 29 -11.271 -5.763 -4.015 1.00 0.00 C ATOM 438 CG ARG A 29 -12.415 -6.681 -4.480 1.00 0.00 C ATOM 439 CD ARG A 29 -12.675 -7.833 -3.498 1.00 0.00 C ATOM 440 NE ARG A 29 -13.686 -7.459 -2.491 1.00 0.00 N ATOM 441 CZ ARG A 29 -14.992 -7.568 -2.648 1.00 0.00 C ATOM 442 NH1 ARG A 29 -15.499 -8.047 -3.750 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.807 -7.210 -1.699 1.00 0.00 N ATOM 0 H ARG A 29 -9.173 -4.595 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.935 -7.307 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.476 -5.414 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.232 -4.881 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.325 -6.093 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.173 -7.090 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.012 -8.712 -4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.745 -8.106 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.349 -7.087 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.884 -8.344 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.511 -8.124 -3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.438 -6.841 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.814 -7.299 -1.832 1.00 0.00 H new ATOM 457 N LYS A 30 -9.142 -6.274 -6.350 1.00 0.00 N ATOM 458 CA LYS A 30 -8.795 -6.698 -7.712 1.00 0.00 C ATOM 459 C LYS A 30 -7.726 -7.772 -7.702 1.00 0.00 C ATOM 460 O LYS A 30 -7.904 -8.801 -8.351 1.00 0.00 O ATOM 461 CB LYS A 30 -8.299 -5.510 -8.553 1.00 0.00 C ATOM 462 CG LYS A 30 -9.438 -4.759 -9.253 1.00 0.00 C ATOM 463 CD LYS A 30 -9.883 -5.518 -10.508 1.00 0.00 C ATOM 464 CE LYS A 30 -10.730 -4.604 -11.396 1.00 0.00 C ATOM 465 NZ LYS A 30 -11.302 -5.348 -12.546 1.00 0.00 N ATOM 0 H LYS A 30 -8.984 -5.279 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.704 -7.103 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.755 -4.818 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.594 -5.871 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.281 -4.645 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.109 -3.756 -9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.011 -5.869 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.458 -6.400 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.536 -4.166 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.118 -3.780 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.871 -4.702 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.531 -5.745 -13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.905 -6.119 -12.195 1.00 0.00 H new ATOM 479 N ALA A 31 -6.609 -7.498 -7.035 1.00 0.00 N ATOM 480 CA ALA A 31 -5.524 -8.449 -6.878 1.00 0.00 C ATOM 481 C ALA A 31 -5.946 -9.689 -6.081 1.00 0.00 C ATOM 482 O ALA A 31 -5.455 -10.781 -6.375 1.00 0.00 O ATOM 483 CB ALA A 31 -4.338 -7.736 -6.228 1.00 0.00 C ATOM 0 H ALA A 31 -6.434 -6.599 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.233 -8.817 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.514 -8.439 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.017 -6.910 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.636 -7.350 -5.253 1.00 0.00 H new ATOM 489 N GLY A 32 -6.864 -9.527 -5.122 1.00 0.00 N ATOM 490 CA GLY A 32 -7.341 -10.605 -4.268 1.00 0.00 C ATOM 491 C GLY A 32 -6.296 -11.019 -3.228 1.00 0.00 C ATOM 492 O GLY A 32 -5.292 -10.345 -3.007 1.00 0.00 O ATOM 0 H GLY A 32 -7.299 -8.627 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.252 -10.289 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.601 -11.466 -4.883 1.00 0.00 H new ATOM 496 N LEU A 33 -6.544 -12.133 -2.544 1.00 0.00 N ATOM 497 CA LEU A 33 -5.648 -12.673 -1.506 1.00 0.00 C ATOM 498 C LEU A 33 -4.756 -13.782 -2.078 1.00 0.00 C ATOM 499 O LEU A 33 -4.532 -14.818 -1.451 1.00 0.00 O ATOM 500 CB LEU A 33 -6.464 -13.190 -0.319 1.00 0.00 C ATOM 501 CG LEU A 33 -7.544 -12.215 0.167 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.689 -12.979 0.790 1.00 0.00 C ATOM 503 CD2 LEU A 33 -7.014 -11.224 1.191 1.00 0.00 C ATOM 0 H LEU A 33 -7.380 -12.698 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.000 -11.869 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.938 -14.131 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.787 -13.408 0.507 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.879 -11.658 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.451 -12.278 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.122 -13.653 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.322 -13.558 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.818 -10.557 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.635 -11.765 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.208 -10.639 0.748 1.00 0.00 H new ATOM 515 N THR A 34 -4.308 -13.614 -3.319 1.00 0.00 N ATOM 516 CA THR A 34 -3.503 -14.624 -4.003 1.00 0.00 C ATOM 517 C THR A 34 -2.587 -13.981 -5.027 1.00 0.00 C ATOM 518 O THR A 34 -2.979 -13.090 -5.780 1.00 0.00 O ATOM 519 CB THR A 34 -4.386 -15.662 -4.716 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.327 -16.225 -3.837 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.538 -16.813 -5.259 1.00 0.00 C ATOM 0 H THR A 34 -4.491 -12.780 -3.877 1.00 0.00 H new ATOM 0 HA THR A 34 -2.909 -15.125 -3.239 1.00 0.00 H new ATOM 0 HB THR A 34 -4.892 -15.135 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.874 -16.880 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.183 -17.535 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.809 -16.424 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.017 -17.301 -4.435 1.00 0.00 H new ATOM 529 N THR A 35 -1.364 -14.488 -5.124 1.00 0.00 N ATOM 530 CA THR A 35 -0.370 -14.033 -6.091 1.00 0.00 C ATOM 531 C THR A 35 0.475 -15.190 -6.596 1.00 0.00 C ATOM 532 O THR A 35 0.465 -16.262 -6.001 1.00 0.00 O ATOM 533 CB THR A 35 0.523 -12.980 -5.451 1.00 0.00 C ATOM 534 OG1 THR A 35 1.283 -12.409 -6.486 1.00 0.00 O ATOM 535 CG2 THR A 35 1.495 -13.559 -4.415 1.00 0.00 C ATOM 0 H THR A 35 -1.028 -15.240 -4.523 1.00 0.00 H new ATOM 0 HA THR A 35 -0.894 -13.600 -6.943 1.00 0.00 H new ATOM 0 HB THR A 35 -0.112 -12.263 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.236 -12.549 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.102 -12.756 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.931 -14.041 -3.616 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.144 -14.292 -4.894 1.00 0.00 H new ATOM 543 N GLY A 36 1.216 -14.956 -7.678 1.00 0.00 N ATOM 544 CA GLY A 36 2.208 -15.912 -8.168 1.00 0.00 C ATOM 545 C GLY A 36 2.577 -15.686 -9.625 1.00 0.00 C ATOM 546 O GLY A 36 3.710 -15.930 -10.008 1.00 0.00 O ATOM 0 H GLY A 36 1.147 -14.105 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.107 -15.841 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.820 -16.924 -8.049 1.00 0.00 H new ATOM 550 N LYS A 37 1.635 -15.140 -10.408 1.00 0.00 N ATOM 551 CA LYS A 37 1.829 -14.764 -11.811 1.00 0.00 C ATOM 552 C LYS A 37 3.079 -13.913 -12.033 1.00 0.00 C ATOM 553 O LYS A 37 3.773 -14.067 -13.029 1.00 0.00 O ATOM 554 CB LYS A 37 0.583 -14.067 -12.370 1.00 0.00 C ATOM 555 CG LYS A 37 0.104 -12.815 -11.600 1.00 0.00 C ATOM 556 CD LYS A 37 -0.764 -13.139 -10.382 1.00 0.00 C ATOM 557 CE LYS A 37 -1.758 -12.006 -10.126 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.555 -12.271 -8.901 1.00 0.00 N ATOM 0 H LYS A 37 0.693 -14.944 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 37 1.985 -15.692 -12.361 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.784 -13.780 -13.402 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.233 -14.789 -12.393 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.974 -12.244 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.461 -12.176 -12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.301 -14.073 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.133 -13.284 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.222 -11.063 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.424 -11.900 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.390 -11.651 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.861 -13.265 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.972 -12.083 -8.060 1.00 0.00 H new ATOM 572 N SER A 38 3.343 -13.004 -11.096 1.00 0.00 N ATOM 573 CA SER A 38 4.462 -12.077 -11.135 1.00 0.00 C ATOM 574 C SER A 38 5.117 -11.902 -9.772 1.00 0.00 C ATOM 575 O SER A 38 6.252 -12.312 -9.561 1.00 0.00 O ATOM 576 CB SER A 38 3.947 -10.754 -11.662 1.00 0.00 C ATOM 577 OG SER A 38 2.881 -10.249 -10.857 1.00 0.00 O ATOM 0 H SER A 38 2.763 -12.893 -10.264 1.00 0.00 H new ATOM 0 HA SER A 38 5.237 -12.477 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.761 -10.029 -11.686 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.601 -10.880 -12.688 1.00 0.00 H new ATOM 0 HG SER A 38 2.205 -9.834 -11.432 1.00 0.00 H new ATOM 583 N GLY A 39 4.409 -11.255 -8.854 1.00 0.00 N ATOM 584 CA GLY A 39 4.868 -10.942 -7.519 1.00 0.00 C ATOM 585 C GLY A 39 3.781 -10.310 -6.667 1.00 0.00 C ATOM 586 O GLY A 39 3.807 -10.517 -5.460 1.00 0.00 O ATOM 0 H GLY A 39 3.461 -10.923 -9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.221 -11.853 -7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.719 -10.263 -7.580 1.00 0.00 H new ATOM 590 N ASP A 40 2.831 -9.589 -7.276 1.00 0.00 N ATOM 591 CA ASP A 40 1.791 -8.840 -6.575 1.00 0.00 C ATOM 592 C ASP A 40 0.398 -9.498 -6.728 1.00 0.00 C ATOM 593 O ASP A 40 0.037 -10.010 -7.800 1.00 0.00 O ATOM 594 CB ASP A 40 1.735 -7.350 -6.972 1.00 0.00 C ATOM 595 CG ASP A 40 3.078 -6.687 -7.325 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.786 -7.140 -8.246 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.461 -5.736 -6.615 1.00 0.00 O ATOM 0 H ASP A 40 2.766 -9.511 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 40 2.073 -8.875 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.068 -7.249 -7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.285 -6.794 -6.150 1.00 0.00 H new ATOM 602 N PRO A 41 -0.436 -9.455 -5.669 1.00 0.00 N ATOM 603 CA PRO A 41 -0.174 -8.877 -4.340 1.00 0.00 C ATOM 604 C PRO A 41 0.877 -9.633 -3.543 1.00 0.00 C ATOM 605 O PRO A 41 1.419 -10.606 -4.031 1.00 0.00 O ATOM 606 CB PRO A 41 -1.520 -8.912 -3.623 1.00 0.00 C ATOM 607 CG PRO A 41 -2.219 -10.112 -4.249 1.00 0.00 C ATOM 608 CD PRO A 41 -1.731 -10.100 -5.693 1.00 0.00 C ATOM 0 HA PRO A 41 0.233 -7.871 -4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.399 -9.033 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.083 -7.992 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.952 -11.040 -3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.303 -10.019 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.655 -11.113 -6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.425 -9.558 -6.335 1.00 0.00 H new ATOM 616 N HIS A 42 1.202 -9.198 -2.334 1.00 0.00 N ATOM 617 CA HIS A 42 2.223 -9.850 -1.505 1.00 0.00 C ATOM 618 C HIS A 42 1.641 -10.114 -0.129 1.00 0.00 C ATOM 619 O HIS A 42 0.802 -9.354 0.343 1.00 0.00 O ATOM 620 CB HIS A 42 3.513 -9.012 -1.427 1.00 0.00 C ATOM 621 CG HIS A 42 3.722 -8.050 -2.568 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.080 -6.834 -2.701 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.499 -8.262 -3.673 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.473 -6.308 -3.868 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.328 -7.152 -4.479 1.00 0.00 N ATOM 0 H HIS A 42 0.770 -8.385 -1.895 1.00 0.00 H new ATOM 0 HA HIS A 42 2.504 -10.798 -1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.505 -8.448 -0.494 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.366 -9.690 -1.383 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.120 -9.122 -3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.154 -5.354 -4.260 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.774 -6.998 -5.383 1.00 0.00 H new ATOM 634 N ARG A 43 2.039 -11.213 0.501 1.00 0.00 N ATOM 635 CA ARG A 43 1.611 -11.535 1.862 1.00 0.00 C ATOM 636 C ARG A 43 2.183 -10.519 2.840 1.00 0.00 C ATOM 637 O ARG A 43 3.350 -10.176 2.742 1.00 0.00 O ATOM 638 CB ARG A 43 2.120 -12.932 2.218 1.00 0.00 C ATOM 639 CG ARG A 43 1.136 -14.005 1.742 1.00 0.00 C ATOM 640 CD ARG A 43 -0.025 -14.205 2.728 1.00 0.00 C ATOM 641 NE ARG A 43 0.468 -14.569 4.068 1.00 0.00 N ATOM 642 CZ ARG A 43 0.973 -15.730 4.439 1.00 0.00 C ATOM 643 NH1 ARG A 43 1.055 -16.729 3.606 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.421 -15.905 5.648 1.00 0.00 N ATOM 0 H ARG A 43 2.664 -11.905 0.088 1.00 0.00 H new ATOM 0 HA ARG A 43 0.523 -11.507 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.095 -13.097 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.257 -13.010 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.738 -13.724 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.665 -14.949 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.613 -13.290 2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.689 -14.986 2.358 1.00 0.00 H new ATOM 0 HE ARG A 43 0.413 -13.846 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.725 -16.622 2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.449 -17.618 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.384 -15.140 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.809 -16.808 5.922 1.00 0.00 H new ATOM 658 N TYR A 44 1.391 -10.156 3.837 1.00 0.00 N ATOM 659 CA TYR A 44 1.773 -9.263 4.921 1.00 0.00 C ATOM 660 C TYR A 44 1.608 -10.021 6.241 1.00 0.00 C ATOM 661 O TYR A 44 0.505 -10.395 6.631 1.00 0.00 O ATOM 662 CB TYR A 44 0.936 -7.981 4.847 1.00 0.00 C ATOM 663 CG TYR A 44 1.309 -6.895 5.834 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.190 -7.102 7.224 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.775 -5.659 5.352 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.588 -6.101 8.125 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.154 -4.643 6.251 1.00 0.00 C ATOM 668 CZ TYR A 44 2.065 -4.868 7.641 1.00 0.00 C ATOM 669 OH TYR A 44 2.417 -3.904 8.528 1.00 0.00 O ATOM 0 H TYR A 44 0.430 -10.487 3.917 1.00 0.00 H new ATOM 0 HA TYR A 44 2.815 -8.953 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.017 -7.574 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.111 -8.243 5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.791 -8.034 7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.843 -5.488 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.528 -6.277 9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.512 -3.695 5.877 1.00 0.00 H new ATOM 0 HH TYR A 44 3.251 -4.160 8.975 1.00 0.00 H new ATOM 679 N PHE A 45 2.708 -10.280 6.935 1.00 0.00 N ATOM 680 CA PHE A 45 2.705 -10.928 8.249 1.00 0.00 C ATOM 681 C PHE A 45 3.548 -10.100 9.211 1.00 0.00 C ATOM 682 O PHE A 45 4.752 -10.317 9.278 1.00 0.00 O ATOM 683 CB PHE A 45 3.219 -12.372 8.112 1.00 0.00 C ATOM 684 CG PHE A 45 3.817 -12.941 9.388 1.00 0.00 C ATOM 685 CD1 PHE A 45 3.017 -13.103 10.535 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.215 -13.123 9.481 1.00 0.00 C ATOM 687 CE1 PHE A 45 3.608 -13.497 11.749 1.00 0.00 C ATOM 688 CE2 PHE A 45 5.805 -13.501 10.699 1.00 0.00 C ATOM 689 CZ PHE A 45 4.997 -13.706 11.831 1.00 0.00 C ATOM 0 H PHE A 45 3.642 -10.045 6.601 1.00 0.00 H new ATOM 0 HA PHE A 45 1.694 -10.982 8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.395 -13.011 7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.972 -12.405 7.324 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.953 -12.925 10.483 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.835 -12.970 8.610 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.991 -13.640 12.624 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.875 -13.633 10.765 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.442 -14.024 12.762 1.00 0.00 H new ATOM 699 N ALA A 46 2.942 -9.100 9.869 1.00 0.00 N ATOM 700 CA ALA A 46 3.602 -8.210 10.838 1.00 0.00 C ATOM 701 C ALA A 46 5.027 -7.762 10.426 1.00 0.00 C ATOM 702 O ALA A 46 5.880 -7.526 11.282 1.00 0.00 O ATOM 703 CB ALA A 46 3.545 -8.878 12.222 1.00 0.00 C ATOM 0 H ALA A 46 1.954 -8.882 9.739 1.00 0.00 H new ATOM 0 HA ALA A 46 3.056 -7.267 10.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.029 -8.235 12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.505 -9.036 12.507 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.060 -9.838 12.184 1.00 0.00 H new ATOM 709 N GLY A 47 5.284 -7.698 9.111 1.00 0.00 N ATOM 710 CA GLY A 47 6.632 -7.597 8.555 1.00 0.00 C ATOM 711 C GLY A 47 7.165 -6.209 8.836 1.00 0.00 C ATOM 712 O GLY A 47 8.243 -6.018 9.402 1.00 0.00 O ATOM 0 H GLY A 47 4.552 -7.715 8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.283 -8.350 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.614 -7.786 7.482 1.00 0.00 H new ATOM 716 N ASP A 48 6.310 -5.237 8.532 1.00 0.00 N ATOM 717 CA ASP A 48 6.596 -3.841 8.749 1.00 0.00 C ATOM 718 C ASP A 48 5.959 -3.421 10.076 1.00 0.00 C ATOM 719 O ASP A 48 4.786 -3.691 10.351 1.00 0.00 O ATOM 720 CB ASP A 48 6.104 -2.996 7.565 1.00 0.00 C ATOM 721 CG ASP A 48 6.414 -3.574 6.177 1.00 0.00 C ATOM 722 OD1 ASP A 48 7.451 -4.245 6.033 1.00 0.00 O ATOM 723 OD2 ASP A 48 5.637 -3.259 5.246 1.00 0.00 O ATOM 0 H ASP A 48 5.391 -5.409 8.124 1.00 0.00 H new ATOM 0 HA ASP A 48 7.672 -3.676 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.025 -2.867 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.551 -2.004 7.636 1.00 0.00 H new ATOM 728 N HIS A 49 6.746 -2.769 10.936 1.00 0.00 N ATOM 729 CA HIS A 49 6.274 -2.197 12.201 1.00 0.00 C ATOM 730 C HIS A 49 5.259 -1.071 11.966 1.00 0.00 C ATOM 731 O HIS A 49 5.632 0.103 11.905 1.00 0.00 O ATOM 732 CB HIS A 49 7.460 -1.702 13.043 1.00 0.00 C ATOM 733 CG HIS A 49 8.321 -2.818 13.576 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.005 -3.623 14.653 1.00 0.00 N ATOM 735 CD2 HIS A 49 9.530 -3.214 13.075 1.00 0.00 C ATOM 736 CE1 HIS A 49 9.019 -4.498 14.816 1.00 0.00 C ATOM 737 NE2 HIS A 49 9.955 -4.267 13.867 1.00 0.00 N ATOM 0 H HIS A 49 7.742 -2.621 10.772 1.00 0.00 H new ATOM 0 HA HIS A 49 5.763 -2.985 12.754 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.074 -1.037 12.436 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.082 -1.113 13.879 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.050 -2.790 12.229 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.074 -5.259 15.580 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.828 -4.782 13.754 1.00 0.00 H new ATOM 746 N ILE A 50 3.972 -1.419 11.911 1.00 0.00 N ATOM 747 CA ILE A 50 2.865 -0.478 11.681 1.00 0.00 C ATOM 748 C ILE A 50 1.788 -0.642 12.754 1.00 0.00 C ATOM 749 O ILE A 50 1.800 -1.592 13.524 1.00 0.00 O ATOM 750 CB ILE A 50 2.278 -0.619 10.253 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.381 -0.764 9.188 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.407 0.615 9.964 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.928 -0.653 7.726 1.00 0.00 C ATOM 0 H ILE A 50 3.660 -2.383 12.027 1.00 0.00 H new ATOM 0 HA ILE A 50 3.264 0.534 11.757 1.00 0.00 H new ATOM 0 HB ILE A 50 1.677 -1.527 10.206 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.137 -0.001 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.865 -1.731 9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.984 0.535 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.601 0.670 10.695 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.018 1.515 10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.789 -0.771 7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.198 -1.433 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.475 0.324 7.559 1.00 0.00 H new ATOM 765 N ARG A 51 0.854 0.308 12.841 1.00 0.00 N ATOM 766 CA ARG A 51 -0.276 0.301 13.731 1.00 0.00 C ATOM 767 C ARG A 51 -1.450 0.868 12.946 1.00 0.00 C ATOM 768 O ARG A 51 -1.435 1.986 12.454 1.00 0.00 O ATOM 769 CB ARG A 51 0.093 1.071 15.008 1.00 0.00 C ATOM 770 CG ARG A 51 -0.298 2.550 15.009 1.00 0.00 C ATOM 771 CD ARG A 51 0.445 3.405 13.965 1.00 0.00 C ATOM 772 NE ARG A 51 1.785 3.829 14.380 1.00 0.00 N ATOM 773 CZ ARG A 51 2.758 4.207 13.573 1.00 0.00 C ATOM 774 NH1 ARG A 51 2.616 4.221 12.273 1.00 0.00 N ATOM 775 NH2 ARG A 51 3.900 4.581 14.063 1.00 0.00 N ATOM 0 H ARG A 51 0.881 1.142 12.254 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.564 -0.693 14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.385 0.584 15.858 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.170 0.996 15.161 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.370 2.630 14.830 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.109 2.963 16.000 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.527 2.837 13.038 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.152 4.290 13.745 1.00 0.00 H new ATOM 0 HE ARG A 51 1.983 3.832 15.381 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.732 3.934 11.853 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.389 4.519 11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.046 4.583 15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.652 4.873 13.439 1.00 0.00 H new ATOM 789 N TRP A 52 -2.476 0.086 12.839 1.00 0.00 N ATOM 790 CA TRP A 52 -3.740 0.528 12.249 1.00 0.00 C ATOM 791 C TRP A 52 -4.774 0.883 13.316 1.00 0.00 C ATOM 792 O TRP A 52 -5.918 1.154 12.984 1.00 0.00 O ATOM 793 CB TRP A 52 -4.224 -0.569 11.329 1.00 0.00 C ATOM 794 CG TRP A 52 -3.186 -1.077 10.379 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.284 -2.055 10.616 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.888 -0.581 9.051 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.470 -2.215 9.510 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.805 -1.333 8.511 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.418 0.453 8.270 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.291 -1.097 7.230 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.914 0.702 6.996 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.874 -0.073 6.462 1.00 0.00 C ATOM 0 H TRP A 52 -2.481 -0.884 13.154 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.586 1.445 11.681 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.585 -1.401 11.933 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.074 -0.198 10.756 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.210 -2.625 11.530 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.717 -2.900 9.444 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.222 1.061 8.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.471 -1.684 6.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.331 1.506 6.408 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.520 0.117 5.459 1.00 0.00 H new ATOM 813 N GLY A 53 -4.387 0.837 14.600 1.00 0.00 N ATOM 814 CA GLY A 53 -5.292 1.047 15.734 1.00 0.00 C ATOM 815 C GLY A 53 -6.575 0.207 15.670 1.00 0.00 C ATOM 816 O GLY A 53 -7.629 0.666 16.099 1.00 0.00 O ATOM 0 H GLY A 53 -3.424 0.650 14.880 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.762 0.813 16.657 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.562 2.102 15.780 1.00 0.00 H new ATOM 820 N VAL A 54 -6.494 -1.007 15.115 1.00 0.00 N ATOM 821 CA VAL A 54 -7.634 -1.912 14.925 1.00 0.00 C ATOM 822 C VAL A 54 -7.288 -3.318 15.386 1.00 0.00 C ATOM 823 O VAL A 54 -6.170 -3.756 15.179 1.00 0.00 O ATOM 824 CB VAL A 54 -8.085 -1.928 13.450 1.00 0.00 C ATOM 825 CG1 VAL A 54 -7.091 -2.579 12.478 1.00 0.00 C ATOM 826 CG2 VAL A 54 -9.446 -2.628 13.324 1.00 0.00 C ATOM 0 H VAL A 54 -5.614 -1.397 14.777 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.460 -1.542 15.532 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.150 -0.879 13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.495 -2.543 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.144 -2.040 12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.927 -3.617 12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.756 -2.635 12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.362 -3.653 13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.186 -2.094 13.919 1.00 0.00 H new ATOM 836 N ASN A 55 -8.263 -4.070 15.887 1.00 0.00 N ATOM 837 CA ASN A 55 -8.069 -5.449 16.348 1.00 0.00 C ATOM 838 C ASN A 55 -7.645 -6.396 15.218 1.00 0.00 C ATOM 839 O ASN A 55 -6.740 -7.207 15.364 1.00 0.00 O ATOM 840 CB ASN A 55 -9.375 -5.961 16.954 1.00 0.00 C ATOM 841 CG ASN A 55 -9.717 -5.234 18.233 1.00 0.00 C ATOM 842 OD1 ASN A 55 -9.304 -5.593 19.311 1.00 0.00 O ATOM 843 ND2 ASN A 55 -10.505 -4.189 18.154 1.00 0.00 N ATOM 0 H ASN A 55 -9.223 -3.739 15.987 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.267 -5.435 17.086 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.185 -5.834 16.235 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.290 -7.029 17.154 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.767 -3.683 19.000 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.856 -3.882 17.247 1.00 0.00 H new ATOM 850 N ASN A 56 -8.352 -6.317 14.086 1.00 0.00 N ATOM 851 CA ASN A 56 -8.118 -7.169 12.927 1.00 0.00 C ATOM 852 C ASN A 56 -6.636 -7.237 12.534 1.00 0.00 C ATOM 853 O ASN A 56 -6.052 -8.316 12.528 1.00 0.00 O ATOM 854 CB ASN A 56 -8.968 -6.667 11.757 1.00 0.00 C ATOM 855 CG ASN A 56 -9.089 -7.792 10.762 1.00 0.00 C ATOM 856 OD1 ASN A 56 -8.202 -8.035 9.978 1.00 0.00 O ATOM 857 ND2 ASN A 56 -10.187 -8.503 10.767 1.00 0.00 N ATOM 0 H ASN A 56 -9.111 -5.649 13.952 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.410 -8.185 13.191 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.953 -6.357 12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.505 -5.795 11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.300 -9.271 10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.930 -8.290 11.433 1.00 0.00 H new ATOM 864 N CYS A 57 -6.064 -6.070 12.212 1.00 0.00 N ATOM 865 CA CYS A 57 -4.647 -5.923 11.934 1.00 0.00 C ATOM 866 C CYS A 57 -3.751 -6.069 13.167 1.00 0.00 C ATOM 867 O CYS A 57 -2.693 -6.652 13.002 1.00 0.00 O ATOM 868 CB CYS A 57 -4.354 -4.560 11.319 1.00 0.00 C ATOM 869 SG CYS A 57 -4.625 -4.416 9.551 1.00 0.00 S ATOM 0 H CYS A 57 -6.586 -5.197 12.139 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.416 -6.735 11.244 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.972 -3.817 11.822 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.315 -4.305 11.529 1.00 0.00 H new ATOM 874 N ASP A 58 -4.126 -5.508 14.337 1.00 0.00 N ATOM 875 CA ASP A 58 -3.384 -5.607 15.624 1.00 0.00 C ATOM 876 C ASP A 58 -2.828 -7.009 15.868 1.00 0.00 C ATOM 877 O ASP A 58 -1.687 -7.163 16.301 1.00 0.00 O ATOM 878 CB ASP A 58 -4.291 -5.220 16.811 1.00 0.00 C ATOM 879 CG ASP A 58 -3.806 -5.655 18.197 1.00 0.00 C ATOM 880 OD1 ASP A 58 -2.633 -5.389 18.518 1.00 0.00 O ATOM 881 OD2 ASP A 58 -4.655 -6.216 18.930 1.00 0.00 O ATOM 0 H ASP A 58 -4.979 -4.955 14.420 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.548 -4.912 15.549 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.410 -4.137 16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.279 -5.649 16.643 1.00 0.00 H new ATOM 886 N LYS A 59 -3.634 -8.028 15.533 1.00 0.00 N ATOM 887 CA LYS A 59 -3.237 -9.429 15.600 1.00 0.00 C ATOM 888 C LYS A 59 -1.802 -9.657 15.108 1.00 0.00 C ATOM 889 O LYS A 59 -1.366 -9.143 14.085 1.00 0.00 O ATOM 890 CB LYS A 59 -4.170 -10.273 14.739 1.00 0.00 C ATOM 891 CG LYS A 59 -5.566 -10.554 15.295 1.00 0.00 C ATOM 892 CD LYS A 59 -5.497 -11.558 16.454 1.00 0.00 C ATOM 893 CE LYS A 59 -5.223 -12.995 15.976 1.00 0.00 C ATOM 894 NZ LYS A 59 -6.461 -13.654 15.496 1.00 0.00 N ATOM 0 H LYS A 59 -4.590 -7.893 15.205 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.295 -9.720 16.649 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.283 -9.776 13.776 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.683 -11.229 14.549 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.020 -9.625 15.639 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.205 -10.947 14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.713 -11.254 17.147 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.437 -11.535 17.006 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.484 -12.978 15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.794 -13.575 16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.240 -14.620 15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.156 -13.692 16.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.856 -13.113 14.701 1.00 0.00 H new ATOM 908 N ALA A 60 -1.119 -10.570 15.791 1.00 0.00 N ATOM 909 CA ALA A 60 0.292 -10.832 15.527 1.00 0.00 C ATOM 910 C ALA A 60 0.453 -11.903 14.436 1.00 0.00 C ATOM 911 O ALA A 60 1.018 -11.654 13.376 1.00 0.00 O ATOM 912 CB ALA A 60 0.988 -11.201 16.846 1.00 0.00 C ATOM 0 H ALA A 60 -1.521 -11.142 16.533 1.00 0.00 H new ATOM 0 HA ALA A 60 0.776 -9.937 15.137 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.043 -11.398 16.658 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.894 -10.375 17.551 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.522 -12.092 17.267 1.00 0.00 H new ATOM 918 N ASP A 61 -0.111 -13.091 14.683 1.00 0.00 N ATOM 919 CA ASP A 61 -0.135 -14.226 13.747 1.00 0.00 C ATOM 920 C ASP A 61 -1.293 -14.101 12.730 1.00 0.00 C ATOM 921 O ASP A 61 -2.020 -15.039 12.412 1.00 0.00 O ATOM 922 CB ASP A 61 -0.180 -15.532 14.557 1.00 0.00 C ATOM 923 CG ASP A 61 -0.147 -16.776 13.658 1.00 0.00 C ATOM 924 OD1 ASP A 61 0.564 -16.723 12.629 1.00 0.00 O ATOM 925 OD2 ASP A 61 -0.813 -17.763 14.049 1.00 0.00 O ATOM 0 H ASP A 61 -0.578 -13.297 15.566 1.00 0.00 H new ATOM 0 HA ASP A 61 0.773 -14.229 13.145 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.666 -15.560 15.244 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.085 -15.549 15.165 1.00 0.00 H new ATOM 930 N ALA A 62 -1.589 -12.877 12.292 1.00 0.00 N ATOM 931 CA ALA A 62 -2.595 -12.671 11.262 1.00 0.00 C ATOM 932 C ALA A 62 -1.999 -12.800 9.859 1.00 0.00 C ATOM 933 O ALA A 62 -0.799 -12.651 9.623 1.00 0.00 O ATOM 934 CB ALA A 62 -3.250 -11.311 11.455 1.00 0.00 C ATOM 0 H ALA A 62 -1.148 -12.023 12.634 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.353 -13.449 11.358 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.004 -11.157 10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.723 -11.271 12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.493 -10.529 11.384 1.00 0.00 H new ATOM 940 N ILE A 63 -2.892 -12.998 8.892 1.00 0.00 N ATOM 941 CA ILE A 63 -2.530 -13.158 7.492 1.00 0.00 C ATOM 942 C ILE A 63 -3.056 -11.940 6.752 1.00 0.00 C ATOM 943 O ILE A 63 -4.200 -11.902 6.316 1.00 0.00 O ATOM 944 CB ILE A 63 -3.057 -14.494 6.934 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.545 -15.705 7.743 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.602 -14.611 5.467 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.401 -16.957 7.503 1.00 0.00 C ATOM 0 H ILE A 63 -3.896 -13.052 9.063 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.449 -13.210 7.362 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.144 -14.502 7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.511 -15.914 7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.550 -15.460 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.963 -15.550 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.007 -13.778 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.513 -14.588 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.006 -17.786 8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.430 -16.757 7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.375 -17.218 6.445 1.00 0.00 H new ATOM 959 N LEU A 64 -2.247 -10.895 6.665 1.00 0.00 N ATOM 960 CA LEU A 64 -2.566 -9.738 5.846 1.00 0.00 C ATOM 961 C LEU A 64 -1.944 -9.866 4.447 1.00 0.00 C ATOM 962 O LEU A 64 -1.330 -10.879 4.091 1.00 0.00 O ATOM 963 CB LEU A 64 -2.158 -8.456 6.593 1.00 0.00 C ATOM 964 CG LEU A 64 -3.154 -7.911 7.621 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.233 -8.783 8.877 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.750 -6.470 7.937 1.00 0.00 C ATOM 0 H LEU A 64 -1.356 -10.826 7.157 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.642 -9.682 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.213 -8.645 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.971 -7.677 5.854 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.162 -7.931 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.953 -8.353 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.550 -9.789 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.252 -8.829 9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.441 -6.050 8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.739 -6.456 8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.782 -5.875 7.024 1.00 0.00 H new ATOM 978 N TRP A 65 -2.127 -8.827 3.644 1.00 0.00 N ATOM 979 CA TRP A 65 -1.581 -8.650 2.312 1.00 0.00 C ATOM 980 C TRP A 65 -1.237 -7.188 2.043 1.00 0.00 C ATOM 981 O TRP A 65 -1.699 -6.299 2.749 1.00 0.00 O ATOM 982 CB TRP A 65 -2.623 -9.150 1.317 1.00 0.00 C ATOM 983 CG TRP A 65 -2.772 -10.636 1.271 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.506 -11.402 2.110 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.106 -11.555 0.370 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.317 -12.736 1.796 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.465 -12.885 0.720 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.222 -11.384 -0.708 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.963 -13.993 0.020 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.699 -12.482 -1.410 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.079 -13.788 -1.057 1.00 0.00 C ATOM 0 H TRP A 65 -2.701 -8.033 3.929 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.654 -9.215 2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.588 -8.708 1.567 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.358 -8.793 0.322 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.140 -11.030 2.901 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.752 -13.511 2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.938 -10.385 -1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.252 -14.994 0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.004 -12.323 -2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.694 -14.632 -1.610 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.459 -6.952 0.992 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.006 -5.644 0.538 1.00 0.00 C ATOM 1004 C GLU A 66 -0.011 -5.560 -0.997 1.00 0.00 C ATOM 1005 O GLU A 66 0.451 -6.475 -1.698 1.00 0.00 O ATOM 1006 CB GLU A 66 1.380 -5.315 1.112 1.00 0.00 C ATOM 1007 CG GLU A 66 2.423 -6.398 0.821 1.00 0.00 C ATOM 1008 CD GLU A 66 3.865 -5.971 1.090 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.177 -4.790 0.809 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.671 -6.894 1.348 1.00 0.00 O ATOM 0 H GLU A 66 -0.110 -7.708 0.404 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.706 -4.896 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.723 -4.367 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.297 -5.179 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.197 -7.275 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.335 -6.700 -0.223 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.512 -4.447 -1.530 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.606 -4.229 -2.975 1.00 0.00 C ATOM 1019 C TYR A 67 -0.360 -2.762 -3.369 1.00 0.00 C ATOM 1020 O TYR A 67 -0.810 -1.864 -2.669 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.978 -4.692 -3.469 1.00 0.00 C ATOM 1022 CG TYR A 67 -2.084 -4.735 -4.976 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.623 -5.844 -5.695 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.518 -3.610 -5.680 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.631 -5.857 -7.098 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.524 -3.603 -7.089 1.00 0.00 C ATOM 1027 CZ TYR A 67 -2.108 -4.739 -7.805 1.00 0.00 C ATOM 1028 OH TYR A 67 -2.150 -4.767 -9.160 1.00 0.00 O ATOM 0 H TYR A 67 -0.865 -3.669 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 67 0.180 -4.815 -3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.186 -5.684 -3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.743 -4.023 -3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.254 -6.706 -5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.852 -2.737 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.272 -6.723 -7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.850 -2.721 -7.621 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.294 -4.455 -9.520 1.00 0.00 H new ATOM 1038 N PRO A 68 0.389 -2.475 -4.445 1.00 0.00 N ATOM 1039 CA PRO A 68 0.729 -1.114 -4.883 1.00 0.00 C ATOM 1040 C PRO A 68 -0.490 -0.305 -5.317 1.00 0.00 C ATOM 1041 O PRO A 68 -1.505 -0.856 -5.713 1.00 0.00 O ATOM 1042 CB PRO A 68 1.738 -1.301 -6.018 1.00 0.00 C ATOM 1043 CG PRO A 68 1.418 -2.694 -6.539 1.00 0.00 C ATOM 1044 CD PRO A 68 0.973 -3.458 -5.323 1.00 0.00 C ATOM 0 HA PRO A 68 1.147 -0.530 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.618 -0.544 -6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.765 -1.231 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.635 -2.664 -7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.291 -3.156 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.249 -4.229 -5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.814 -3.961 -4.846 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.393 1.021 -5.276 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.477 1.894 -5.733 1.00 0.00 C ATOM 1054 C ILE A 69 -0.922 3.142 -6.418 1.00 0.00 C ATOM 1055 O ILE A 69 0.211 3.567 -6.208 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.407 2.253 -4.554 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.568 3.175 -4.982 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.597 2.897 -3.431 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -4.540 3.525 -3.867 1.00 0.00 C ATOM 0 H ILE A 69 0.427 1.519 -4.930 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.069 1.358 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.855 1.327 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.152 4.098 -5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.119 2.693 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.259 3.148 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.833 2.199 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.119 3.804 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.323 4.176 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.989 2.612 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.007 4.039 -3.067 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.759 3.784 -7.214 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.453 4.993 -7.932 1.00 0.00 C ATOM 1073 C TYR A 70 -2.341 6.085 -7.352 1.00 0.00 C ATOM 1074 O TYR A 70 -3.563 5.992 -7.407 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.664 4.744 -9.431 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.693 3.733 -10.030 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.594 2.429 -9.514 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.155 4.103 -11.085 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.407 1.562 -9.947 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.166 3.223 -11.519 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.298 1.951 -10.955 1.00 0.00 C ATOM 1082 OH TYR A 70 2.237 1.100 -11.435 1.00 0.00 O ATOM 0 H TYR A 70 -2.711 3.456 -7.380 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.416 5.310 -7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.684 4.393 -9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.564 5.689 -9.964 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.304 2.095 -8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.033 5.063 -11.565 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.497 0.582 -9.502 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.847 3.535 -12.297 1.00 0.00 H new ATOM 0 HH TYR A 70 2.342 1.239 -12.399 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.712 7.073 -6.710 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.379 8.306 -6.278 1.00 0.00 C ATOM 1094 C TRP A 71 -3.157 8.980 -7.417 1.00 0.00 C ATOM 1095 O TRP A 71 -3.035 8.641 -8.597 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.342 9.283 -5.701 1.00 0.00 C ATOM 1097 CG TRP A 71 -0.053 9.380 -6.445 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.272 10.219 -7.456 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.099 8.532 -6.238 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.568 9.948 -7.869 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.132 8.928 -7.129 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.341 7.439 -5.392 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.360 8.248 -7.174 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.591 6.813 -5.380 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.597 7.194 -6.286 1.00 0.00 C ATOM 0 H TRP A 71 -0.720 7.041 -6.474 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.103 8.034 -5.510 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.791 10.276 -5.659 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.125 8.988 -4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.374 10.977 -7.874 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.045 10.440 -8.625 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.555 7.078 -4.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.116 8.537 -7.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.787 6.027 -4.666 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.545 6.677 -6.296 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.914 10.013 -7.049 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.728 10.775 -7.997 1.00 0.00 C ATOM 1118 C VAL A 72 -3.821 11.438 -9.033 1.00 0.00 C ATOM 1119 O VAL A 72 -3.036 12.317 -8.675 1.00 0.00 O ATOM 1120 CB VAL A 72 -5.585 11.823 -7.273 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -6.402 12.644 -8.280 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -6.549 11.150 -6.284 1.00 0.00 C ATOM 0 H VAL A 72 -3.981 10.345 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.408 10.090 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.908 12.482 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.002 13.381 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.726 13.154 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.058 11.980 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.146 11.912 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.208 10.470 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.978 10.590 -5.543 1.00 0.00 H new ATOM 1132 N GLY A 73 -3.945 11.021 -10.297 1.00 0.00 N ATOM 1133 CA GLY A 73 -3.177 11.596 -11.399 1.00 0.00 C ATOM 1134 C GLY A 73 -1.686 11.278 -11.270 1.00 0.00 C ATOM 1135 O GLY A 73 -0.855 12.174 -11.170 1.00 0.00 O ATOM 0 H GLY A 73 -4.581 10.276 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.552 11.208 -12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.319 12.677 -11.418 1.00 0.00 H new ATOM 1139 N LYS A 74 -1.340 9.984 -11.214 1.00 0.00 N ATOM 1140 CA LYS A 74 0.046 9.513 -11.173 1.00 0.00 C ATOM 1141 C LYS A 74 0.693 9.383 -12.549 1.00 0.00 C ATOM 1142 O LYS A 74 1.915 9.458 -12.647 1.00 0.00 O ATOM 1143 CB LYS A 74 0.081 8.186 -10.400 1.00 0.00 C ATOM 1144 CG LYS A 74 1.401 7.447 -10.632 1.00 0.00 C ATOM 1145 CD LYS A 74 1.729 6.406 -9.572 1.00 0.00 C ATOM 1146 CE LYS A 74 2.947 5.558 -9.954 1.00 0.00 C ATOM 1147 NZ LYS A 74 4.206 6.338 -9.921 1.00 0.00 N ATOM 0 H LYS A 74 -2.025 9.229 -11.196 1.00 0.00 H new ATOM 0 HA LYS A 74 0.646 10.266 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.049 8.379 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.752 7.557 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.364 6.958 -11.606 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.210 8.176 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.919 6.905 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.867 5.756 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.028 4.713 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.802 5.147 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.998 5.709 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.375 6.764 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.130 7.090 -9.206 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.122 9.178 -13.577 1.00 0.00 N ATOM 1162 CA ASN A 75 0.268 9.079 -14.984 1.00 0.00 C ATOM 1163 C ASN A 75 0.859 7.696 -15.305 1.00 0.00 C ATOM 1164 O ASN A 75 1.873 7.591 -15.990 1.00 0.00 O ATOM 1165 CB ASN A 75 1.222 10.231 -15.372 1.00 0.00 C ATOM 1166 CG ASN A 75 0.995 11.551 -14.652 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -0.115 11.987 -14.407 1.00 0.00 O ATOM 1168 ND2 ASN A 75 2.066 12.180 -14.226 1.00 0.00 N ATOM 0 H ASN A 75 -1.128 9.070 -13.447 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.628 9.184 -15.595 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.246 9.908 -15.184 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.134 10.404 -16.445 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.971 13.040 -13.686 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.993 11.809 -14.435 1.00 0.00 H new ATOM 1175 N ALA A 76 0.258 6.642 -14.747 1.00 0.00 N ATOM 1176 CA ALA A 76 0.706 5.266 -14.893 1.00 0.00 C ATOM 1177 C ALA A 76 -0.312 4.282 -14.295 1.00 0.00 C ATOM 1178 O ALA A 76 -1.320 4.718 -13.740 1.00 0.00 O ATOM 1179 CB ALA A 76 2.047 5.145 -14.188 1.00 0.00 C ATOM 0 H ALA A 76 -0.576 6.731 -14.166 1.00 0.00 H new ATOM 0 HA ALA A 76 0.804 5.015 -15.949 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.414 4.123 -14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.762 5.829 -14.646 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.928 5.397 -13.134 1.00 0.00 H new ATOM 1185 N GLU A 77 -0.007 2.981 -14.355 1.00 0.00 N ATOM 1186 CA GLU A 77 -0.814 1.899 -13.788 1.00 0.00 C ATOM 1187 C GLU A 77 0.046 0.646 -13.543 1.00 0.00 C ATOM 1188 O GLU A 77 1.137 0.524 -14.106 1.00 0.00 O ATOM 1189 CB GLU A 77 -1.954 1.606 -14.768 1.00 0.00 C ATOM 1190 CG GLU A 77 -3.026 0.695 -14.166 1.00 0.00 C ATOM 1191 CD GLU A 77 -4.179 0.469 -15.145 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -4.829 1.476 -15.495 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -4.454 -0.710 -15.475 1.00 0.00 O ATOM 0 H GLU A 77 0.838 2.643 -14.816 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.221 2.196 -12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.412 2.545 -15.078 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.547 1.139 -15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.582 -0.263 -13.897 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.409 1.139 -13.247 1.00 0.00 H new ATOM 1200 N TRP A 78 -0.430 -0.249 -12.671 1.00 0.00 N ATOM 1201 CA TRP A 78 0.185 -1.547 -12.404 1.00 0.00 C ATOM 1202 C TRP A 78 -0.314 -2.616 -13.379 1.00 0.00 C ATOM 1203 O TRP A 78 -1.291 -2.441 -14.095 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.107 -1.978 -10.956 1.00 0.00 C ATOM 1205 CG TRP A 78 0.954 -2.822 -10.315 1.00 0.00 C ATOM 1206 CD1 TRP A 78 0.961 -4.170 -10.269 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.187 -2.405 -9.655 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.115 -4.618 -9.649 1.00 0.00 N ATOM 1209 CE2 TRP A 78 2.923 -3.562 -9.278 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.774 -1.167 -9.341 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.191 -3.474 -8.676 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.016 -1.048 -8.702 1.00 0.00 C ATOM 1213 CH2 TRP A 78 4.734 -2.208 -8.375 1.00 0.00 C ATOM 0 H TRP A 78 -1.273 -0.084 -12.120 1.00 0.00 H new ATOM 0 HA TRP A 78 1.261 -1.444 -12.543 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.253 -1.084 -10.350 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.047 -2.530 -10.941 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.181 -4.807 -10.659 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.339 -5.600 -9.487 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.243 -0.264 -9.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 4.746 -4.371 -8.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.416 -0.073 -8.464 1.00 0.00 H new ATOM 0 HH2 TRP A 78 5.698 -2.132 -7.895 1.00 0.00 H new ATOM 1224 N ALA A 79 0.295 -3.795 -13.341 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.103 -4.942 -14.144 1.00 0.00 C ATOM 1226 C ALA A 79 -0.140 -6.231 -13.322 1.00 0.00 C ATOM 1227 O ALA A 79 0.607 -6.402 -12.358 1.00 0.00 O ATOM 1228 CB ALA A 79 0.863 -5.063 -15.315 1.00 0.00 C ATOM 0 H ALA A 79 1.096 -3.983 -12.738 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.117 -4.788 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.583 -5.918 -15.931 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.823 -4.154 -15.915 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.876 -5.204 -14.938 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.989 -7.172 -13.752 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.179 -8.469 -13.089 1.00 0.00 C ATOM 1236 C LYS A 80 0.085 -9.318 -13.131 1.00 0.00 C ATOM 1237 O LYS A 80 0.721 -9.528 -12.104 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.348 -9.248 -13.698 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.700 -8.593 -13.397 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.773 -9.683 -13.335 1.00 0.00 C ATOM 1241 CE LYS A 80 -6.147 -9.050 -13.123 1.00 0.00 C ATOM 1242 NZ LYS A 80 -7.197 -10.094 -13.022 1.00 0.00 N ATOM 0 H LYS A 80 -1.571 -7.053 -14.581 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.412 -8.251 -12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.213 -9.318 -14.777 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.345 -10.266 -13.310 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.656 -8.053 -12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.947 -7.864 -14.169 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.769 -10.262 -14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.553 -10.376 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.139 -8.447 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.374 -8.378 -13.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.123 -9.642 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.217 -10.653 -13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.988 -10.720 -12.218 1.00 0.00 H new ATOM 1256 N ASP A 81 0.438 -9.826 -14.304 1.00 0.00 N ATOM 1257 CA ASP A 81 1.583 -10.713 -14.512 1.00 0.00 C ATOM 1258 C ASP A 81 2.854 -9.872 -14.751 1.00 0.00 C ATOM 1259 O ASP A 81 3.617 -10.077 -15.694 1.00 0.00 O ATOM 1260 CB ASP A 81 1.304 -11.702 -15.659 1.00 0.00 C ATOM 1261 CG ASP A 81 -0.162 -12.154 -15.740 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -0.761 -12.506 -14.698 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -0.734 -11.988 -16.837 1.00 0.00 O ATOM 0 H ASP A 81 -0.076 -9.629 -15.163 1.00 0.00 H new ATOM 0 HA ASP A 81 1.748 -11.314 -13.618 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.585 -11.237 -16.604 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.939 -12.579 -15.534 1.00 0.00 H new ATOM 1268 N VAL A 82 3.098 -8.882 -13.882 1.00 0.00 N ATOM 1269 CA VAL A 82 4.245 -7.983 -13.967 1.00 0.00 C ATOM 1270 C VAL A 82 4.828 -7.702 -12.582 1.00 0.00 C ATOM 1271 O VAL A 82 4.155 -7.193 -11.694 1.00 0.00 O ATOM 1272 CB VAL A 82 3.817 -6.689 -14.652 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.979 -5.714 -14.695 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.411 -6.914 -16.116 1.00 0.00 C ATOM 0 H VAL A 82 2.490 -8.684 -13.088 1.00 0.00 H new ATOM 0 HA VAL A 82 5.029 -8.459 -14.556 1.00 0.00 H new ATOM 0 HB VAL A 82 2.973 -6.309 -14.077 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.663 -4.793 -15.186 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.304 -5.490 -13.679 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.805 -6.157 -15.251 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.114 -5.964 -16.561 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.255 -7.326 -16.669 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.575 -7.612 -16.159 1.00 0.00 H new ATOM 1284 N LYS A 83 6.111 -8.044 -12.407 1.00 0.00 N ATOM 1285 CA LYS A 83 6.885 -7.781 -11.177 1.00 0.00 C ATOM 1286 C LYS A 83 7.208 -6.297 -11.033 1.00 0.00 C ATOM 1287 O LYS A 83 7.009 -5.534 -11.960 1.00 0.00 O ATOM 1288 CB LYS A 83 8.173 -8.626 -11.163 1.00 0.00 C ATOM 1289 CG LYS A 83 9.153 -8.243 -12.290 1.00 0.00 C ATOM 1290 CD LYS A 83 10.095 -9.398 -12.658 1.00 0.00 C ATOM 1291 CE LYS A 83 10.710 -9.217 -14.055 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.593 -8.025 -14.153 1.00 0.00 N ATOM 0 H LYS A 83 6.654 -8.520 -13.127 1.00 0.00 H new ATOM 0 HA LYS A 83 6.272 -8.069 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.670 -8.507 -10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.911 -9.680 -11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.589 -7.941 -13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.743 -7.381 -11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.892 -9.466 -11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.546 -10.339 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.283 -10.108 -14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.909 -9.130 -14.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.869 -7.878 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.084 -7.187 -13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.445 -8.176 -13.576 1.00 0.00 H new ATOM 1306 N THR A 84 7.880 -5.914 -9.953 1.00 0.00 N ATOM 1307 CA THR A 84 8.306 -4.521 -9.697 1.00 0.00 C ATOM 1308 C THR A 84 9.261 -3.950 -10.748 1.00 0.00 C ATOM 1309 O THR A 84 8.992 -2.907 -11.312 1.00 0.00 O ATOM 1310 CB THR A 84 8.976 -4.381 -8.336 1.00 0.00 C ATOM 1311 OG1 THR A 84 10.126 -5.199 -8.297 1.00 0.00 O ATOM 1312 CG2 THR A 84 8.048 -4.799 -7.200 1.00 0.00 C ATOM 0 H THR A 84 8.153 -6.562 -9.214 1.00 0.00 H new ATOM 0 HA THR A 84 7.378 -3.951 -9.737 1.00 0.00 H new ATOM 0 HB THR A 84 9.236 -3.331 -8.202 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.561 -5.110 -7.423 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.565 -4.684 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.157 -4.171 -7.208 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.758 -5.841 -7.332 1.00 0.00 H new ATOM 1320 N SER A 85 10.363 -4.641 -11.050 1.00 0.00 N ATOM 1321 CA SER A 85 11.342 -4.185 -12.040 1.00 0.00 C ATOM 1322 C SER A 85 10.737 -4.080 -13.434 1.00 0.00 C ATOM 1323 O SER A 85 10.955 -3.116 -14.149 1.00 0.00 O ATOM 1324 CB SER A 85 12.499 -5.180 -12.098 1.00 0.00 C ATOM 1325 OG SER A 85 13.213 -5.167 -10.890 1.00 0.00 O ATOM 0 H SER A 85 10.602 -5.532 -10.615 1.00 0.00 H new ATOM 0 HA SER A 85 11.682 -3.196 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.116 -6.182 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.164 -4.928 -12.924 1.00 0.00 H new ATOM 0 HG SER A 85 13.951 -5.810 -10.939 1.00 0.00 H new ATOM 1331 N GLN A 86 9.996 -5.119 -13.842 1.00 0.00 N ATOM 1332 CA GLN A 86 9.285 -5.085 -15.119 1.00 0.00 C ATOM 1333 C GLN A 86 8.171 -4.037 -15.145 1.00 0.00 C ATOM 1334 O GLN A 86 7.860 -3.584 -16.244 1.00 0.00 O ATOM 1335 CB GLN A 86 8.693 -6.466 -15.434 1.00 0.00 C ATOM 1336 CG GLN A 86 8.051 -6.615 -16.823 1.00 0.00 C ATOM 1337 CD GLN A 86 9.068 -6.655 -17.953 1.00 0.00 C ATOM 1338 OE1 GLN A 86 10.219 -6.282 -17.822 1.00 0.00 O ATOM 1339 NE2 GLN A 86 8.663 -7.052 -19.134 1.00 0.00 N ATOM 0 H GLN A 86 9.876 -5.982 -13.311 1.00 0.00 H new ATOM 0 HA GLN A 86 10.016 -4.808 -15.878 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.483 -7.210 -15.338 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.942 -6.699 -14.680 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.457 -7.529 -16.845 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.365 -5.785 -16.990 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.702 -7.368 -19.264 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.309 -7.045 -19.924 1.00 0.00 H new ATOM 1348 N GLN A 87 7.558 -3.725 -13.996 1.00 0.00 N ATOM 1349 CA GLN A 87 6.451 -2.790 -13.833 1.00 0.00 C ATOM 1350 C GLN A 87 6.605 -1.561 -14.701 1.00 0.00 C ATOM 1351 O GLN A 87 7.623 -0.872 -14.657 1.00 0.00 O ATOM 1352 CB GLN A 87 6.273 -2.380 -12.363 1.00 0.00 C ATOM 1353 CG GLN A 87 4.846 -1.957 -12.031 1.00 0.00 C ATOM 1354 CD GLN A 87 3.830 -2.991 -12.495 1.00 0.00 C ATOM 1355 OE1 GLN A 87 3.118 -2.793 -13.457 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.844 -4.183 -11.953 1.00 0.00 N ATOM 0 H GLN A 87 7.841 -4.144 -13.110 1.00 0.00 H new ATOM 0 HA GLN A 87 5.554 -3.317 -14.159 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.557 -3.214 -11.722 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.952 -1.558 -12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.751 -1.811 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.631 -0.998 -12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.436 -4.368 -11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.263 -4.926 -12.340 1.00 0.00 H new ATOM 1365 N LYS A 88 5.586 -1.301 -15.513 1.00 0.00 N ATOM 1366 CA LYS A 88 5.637 -0.218 -16.484 1.00 0.00 C ATOM 1367 C LYS A 88 4.688 0.876 -16.062 1.00 0.00 C ATOM 1368 O LYS A 88 3.513 0.862 -16.397 1.00 0.00 O ATOM 1369 CB LYS A 88 5.303 -0.713 -17.886 1.00 0.00 C ATOM 1370 CG LYS A 88 6.161 -1.895 -18.351 1.00 0.00 C ATOM 1371 CD LYS A 88 7.634 -1.502 -18.598 1.00 0.00 C ATOM 1372 CE LYS A 88 8.263 -2.410 -19.660 1.00 0.00 C ATOM 1373 NZ LYS A 88 8.479 -3.777 -19.138 1.00 0.00 N ATOM 0 H LYS A 88 4.713 -1.828 -15.517 1.00 0.00 H new ATOM 0 HA LYS A 88 6.652 0.177 -16.515 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.253 -1.005 -17.917 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.425 0.110 -18.590 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.121 -2.685 -17.601 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.740 -2.305 -19.269 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.689 -0.463 -18.921 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.197 -1.577 -17.668 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.616 -2.451 -20.536 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.214 -1.988 -19.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.470 -4.054 -19.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.265 -3.798 -18.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.854 -4.442 -19.637 1.00 0.00 H new ATOM 1387 N GLY A 89 5.222 1.833 -15.319 1.00 0.00 N ATOM 1388 CA GLY A 89 4.406 2.946 -14.877 1.00 0.00 C ATOM 1389 C GLY A 89 5.079 3.836 -13.845 1.00 0.00 C ATOM 1390 O GLY A 89 4.994 5.057 -13.883 1.00 0.00 O ATOM 0 H GLY A 89 6.196 1.861 -15.016 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.136 3.551 -15.742 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.478 2.558 -14.457 1.00 0.00 H new ATOM 1394 N GLY A 90 5.785 3.222 -12.908 1.00 0.00 N ATOM 1395 CA GLY A 90 6.537 3.961 -11.911 1.00 0.00 C ATOM 1396 C GLY A 90 6.371 3.360 -10.524 1.00 0.00 C ATOM 1397 O GLY A 90 5.264 2.944 -10.165 1.00 0.00 O ATOM 0 H GLY A 90 5.852 2.208 -12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.593 3.967 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.205 4.999 -11.900 1.00 0.00 H new ATOM 1401 N PRO A 91 7.435 3.393 -9.716 1.00 0.00 N ATOM 1402 CA PRO A 91 7.391 2.917 -8.350 1.00 0.00 C ATOM 1403 C PRO A 91 6.382 3.757 -7.562 1.00 0.00 C ATOM 1404 O PRO A 91 6.153 4.941 -7.821 1.00 0.00 O ATOM 1405 CB PRO A 91 8.838 2.997 -7.848 1.00 0.00 C ATOM 1406 CG PRO A 91 9.462 4.106 -8.693 1.00 0.00 C ATOM 1407 CD PRO A 91 8.713 4.013 -10.016 1.00 0.00 C ATOM 0 HA PRO A 91 7.043 1.890 -8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.879 3.234 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.360 2.050 -7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.335 5.084 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.533 3.954 -8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.573 5.001 -10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.273 3.420 -10.739 1.00 0.00 H new ATOM 1415 N THR A 92 5.693 3.088 -6.648 1.00 0.00 N ATOM 1416 CA THR A 92 4.766 3.702 -5.705 1.00 0.00 C ATOM 1417 C THR A 92 5.061 3.225 -4.281 1.00 0.00 C ATOM 1418 O THR A 92 5.070 2.020 -4.000 1.00 0.00 O ATOM 1419 CB THR A 92 3.289 3.544 -6.083 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.530 3.723 -4.908 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.011 2.220 -6.801 1.00 0.00 C ATOM 0 H THR A 92 5.765 2.076 -6.538 1.00 0.00 H new ATOM 0 HA THR A 92 4.940 4.777 -5.753 1.00 0.00 H new ATOM 0 HB THR A 92 2.998 4.301 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.583 3.563 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.951 2.155 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.600 2.172 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.283 1.389 -6.150 1.00 0.00 H new ATOM 1429 N PRO A 93 5.340 4.170 -3.366 1.00 0.00 N ATOM 1430 CA PRO A 93 5.554 3.854 -1.970 1.00 0.00 C ATOM 1431 C PRO A 93 4.272 3.451 -1.263 1.00 0.00 C ATOM 1432 O PRO A 93 4.334 2.730 -0.275 1.00 0.00 O ATOM 1433 CB PRO A 93 6.122 5.118 -1.320 1.00 0.00 C ATOM 1434 CG PRO A 93 5.605 6.225 -2.215 1.00 0.00 C ATOM 1435 CD PRO A 93 5.512 5.592 -3.592 1.00 0.00 C ATOM 0 HA PRO A 93 6.232 3.004 -1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.775 5.234 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.211 5.101 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.633 6.586 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.280 7.081 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.673 6.002 -4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.413 5.789 -4.174 1.00 0.00 H new ATOM 1443 N ILE A 94 3.137 3.965 -1.731 1.00 0.00 N ATOM 1444 CA ILE A 94 1.830 3.691 -1.175 1.00 0.00 C ATOM 1445 C ILE A 94 1.377 2.292 -1.603 1.00 0.00 C ATOM 1446 O ILE A 94 1.380 1.964 -2.792 1.00 0.00 O ATOM 1447 CB ILE A 94 0.815 4.772 -1.575 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.278 6.165 -1.120 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.547 4.499 -0.918 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.537 7.296 -1.802 1.00 0.00 C ATOM 0 H ILE A 94 3.109 4.600 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 94 1.893 3.715 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 94 0.731 4.745 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.144 6.250 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.345 6.268 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.255 5.274 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.919 3.527 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.435 4.502 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.913 8.251 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.692 7.235 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.528 7.217 -1.583 1.00 0.00 H new ATOM 1462 N ARG A 95 0.970 1.473 -0.634 1.00 0.00 N ATOM 1463 CA ARG A 95 0.409 0.143 -0.853 1.00 0.00 C ATOM 1464 C ARG A 95 -0.783 -0.093 0.057 1.00 0.00 C ATOM 1465 O ARG A 95 -0.719 0.191 1.245 1.00 0.00 O ATOM 1466 CB ARG A 95 1.496 -0.915 -0.630 1.00 0.00 C ATOM 1467 CG ARG A 95 2.381 -1.092 -1.869 1.00 0.00 C ATOM 1468 CD ARG A 95 3.758 -1.631 -1.548 1.00 0.00 C ATOM 1469 NE ARG A 95 4.493 -1.958 -2.784 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.797 -2.134 -2.857 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.542 -2.000 -1.793 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.370 -2.458 -3.985 1.00 0.00 N ATOM 0 H ARG A 95 1.024 1.725 0.353 1.00 0.00 H new ATOM 0 HA ARG A 95 0.055 0.068 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.114 -0.627 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.030 -1.867 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.887 -1.769 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.483 -0.132 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.317 -0.894 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.669 -2.522 -0.926 1.00 0.00 H new ATOM 0 HE ARG A 95 3.953 -2.055 -3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.115 -1.758 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.551 -2.138 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.807 -2.579 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.381 -2.590 -4.024 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.894 -0.563 -0.490 1.00 0.00 N ATOM 1487 CA VAL A 96 -3.062 -0.984 0.288 1.00 0.00 C ATOM 1488 C VAL A 96 -2.764 -2.236 1.115 1.00 0.00 C ATOM 1489 O VAL A 96 -2.129 -3.158 0.606 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.253 -1.188 -0.649 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.027 -2.261 -1.702 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.492 -1.504 0.167 1.00 0.00 C ATOM 0 H VAL A 96 -2.017 -0.666 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.314 -0.199 1.001 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.385 -0.255 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.915 -2.348 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.171 -1.989 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.833 -3.216 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.341 -1.649 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.325 -2.413 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.702 -0.677 0.845 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.277 -2.296 2.347 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.160 -3.449 3.242 1.00 0.00 C ATOM 1504 C VAL A 97 -4.525 -3.945 3.686 1.00 0.00 C ATOM 1505 O VAL A 97 -5.440 -3.203 4.053 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.306 -3.153 4.478 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.074 -4.364 5.394 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.954 -2.571 4.071 1.00 0.00 C ATOM 0 H VAL A 97 -3.799 -1.523 2.760 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.660 -4.225 2.662 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.883 -2.429 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.460 -4.065 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.033 -4.738 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.564 -5.150 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.362 -2.367 4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.425 -3.285 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.108 -1.644 3.519 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.669 -5.258 3.630 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.891 -5.965 3.922 1.00 0.00 C ATOM 1520 C TYR A 98 -5.604 -7.266 4.640 1.00 0.00 C ATOM 1521 O TYR A 98 -4.542 -7.850 4.504 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.654 -6.216 2.627 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.845 -6.630 1.412 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.957 -5.726 0.796 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -6.055 -7.894 0.844 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.204 -6.122 -0.320 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.397 -8.254 -0.344 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.459 -7.372 -0.910 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.809 -7.728 -2.035 1.00 0.00 O ATOM 0 H TYR A 98 -3.904 -5.880 3.369 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.505 -5.354 4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.397 -6.991 2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.200 -5.307 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.855 -4.723 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.725 -8.594 1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.438 -5.474 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.610 -9.200 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.213 -8.542 -2.402 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.597 -7.737 5.379 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.535 -9.007 6.078 1.00 0.00 C ATOM 1541 C ALA A 99 -7.157 -10.134 5.255 1.00 0.00 C ATOM 1542 O ALA A 99 -7.902 -9.900 4.299 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.188 -8.843 7.447 1.00 0.00 C ATOM 0 H ALA A 99 -7.478 -7.240 5.510 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.495 -9.298 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.149 -9.790 7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.655 -8.081 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.227 -8.540 7.320 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.887 -11.362 5.689 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.381 -12.607 5.111 1.00 0.00 C ATOM 1551 C ASN A 100 -8.344 -13.330 6.062 1.00 0.00 C ATOM 1552 O ASN A 100 -8.565 -14.513 5.874 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.178 -13.475 4.680 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.532 -14.805 4.041 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -6.363 -15.870 4.597 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.014 -14.788 2.826 1.00 0.00 N ATOM 0 H ASN A 100 -6.285 -11.523 6.497 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.972 -12.390 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.572 -12.903 3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.557 -13.665 5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.243 -15.664 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.161 -13.899 2.348 1.00 0.00 H new ATOM 1563 N SER A 101 -8.980 -12.636 7.021 1.00 0.00 N ATOM 1564 CA SER A 101 -9.868 -13.233 8.040 1.00 0.00 C ATOM 1565 C SER A 101 -10.641 -14.460 7.542 1.00 0.00 C ATOM 1566 O SER A 101 -10.483 -15.546 8.081 1.00 0.00 O ATOM 1567 CB SER A 101 -10.864 -12.190 8.547 1.00 0.00 C ATOM 1568 OG SER A 101 -11.623 -12.710 9.620 1.00 0.00 O ATOM 0 H SER A 101 -8.891 -11.624 7.114 1.00 0.00 H new ATOM 0 HA SER A 101 -9.214 -13.570 8.845 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.330 -11.296 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.528 -11.889 7.737 1.00 0.00 H new ATOM 0 HG SER A 101 -12.254 -12.030 9.934 1.00 0.00 H new ATOM 1574 N ARG A 102 -11.468 -14.272 6.507 1.00 0.00 N ATOM 1575 CA ARG A 102 -12.247 -15.328 5.839 1.00 0.00 C ATOM 1576 C ARG A 102 -12.002 -15.394 4.339 1.00 0.00 C ATOM 1577 O ARG A 102 -12.955 -15.415 3.564 1.00 0.00 O ATOM 1578 CB ARG A 102 -13.732 -15.164 6.195 1.00 0.00 C ATOM 1579 CG ARG A 102 -14.322 -13.824 5.716 1.00 0.00 C ATOM 1580 CD ARG A 102 -15.489 -13.410 6.608 1.00 0.00 C ATOM 1581 NE ARG A 102 -15.917 -12.034 6.299 1.00 0.00 N ATOM 1582 CZ ARG A 102 -16.703 -11.665 5.306 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -17.186 -12.534 4.463 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -17.004 -10.410 5.137 1.00 0.00 N ATOM 0 H ARG A 102 -11.620 -13.351 6.096 1.00 0.00 H new ATOM 0 HA ARG A 102 -11.905 -16.294 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.299 -15.983 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.851 -15.242 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.552 -13.053 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.659 -13.916 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.324 -14.097 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.195 -13.478 7.655 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.572 -11.296 6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.958 -13.523 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.792 -12.225 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.632 -9.706 5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.612 -10.131 4.367 1.00 0.00 H new ATOM 1598 N GLY A 103 -10.739 -15.314 3.914 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.444 -15.296 2.480 1.00 0.00 C ATOM 1600 C GLY A 103 -11.184 -14.182 1.723 1.00 0.00 C ATOM 1601 O GLY A 103 -11.516 -14.327 0.552 1.00 0.00 O ATOM 0 H GLY A 103 -9.923 -15.262 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.370 -15.171 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.713 -16.260 2.048 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.401 -13.040 2.384 1.00 0.00 N ATOM 1606 CA ALA A 104 -12.042 -11.863 1.821 1.00 0.00 C ATOM 1607 C ALA A 104 -11.330 -10.612 2.330 1.00 0.00 C ATOM 1608 O ALA A 104 -11.438 -10.283 3.513 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.528 -11.882 2.188 1.00 0.00 C ATOM 0 H ALA A 104 -11.123 -12.913 3.357 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.970 -11.860 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.017 -11.002 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.991 -12.782 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -13.635 -11.875 3.273 1.00 0.00 H new ATOM 1615 N VAL A 105 -10.591 -9.953 1.433 1.00 0.00 N ATOM 1616 CA VAL A 105 -9.980 -8.644 1.682 1.00 0.00 C ATOM 1617 C VAL A 105 -10.943 -7.720 2.416 1.00 0.00 C ATOM 1618 O VAL A 105 -12.054 -7.460 1.957 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.496 -7.975 0.383 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -10.502 -8.059 -0.763 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -9.121 -6.503 0.585 1.00 0.00 C ATOM 0 H VAL A 105 -10.398 -10.319 0.501 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.109 -8.820 2.313 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.610 -8.548 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.091 -7.566 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.705 -9.105 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.429 -7.566 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.786 -6.079 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.991 -5.952 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.319 -6.429 1.319 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.478 -7.206 3.552 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.247 -6.233 4.318 1.00 0.00 C ATOM 1633 C GLN A 106 -10.804 -4.791 4.099 1.00 0.00 C ATOM 1634 O GLN A 106 -11.508 -3.895 4.545 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.204 -6.593 5.802 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.937 -6.081 6.507 1.00 0.00 C ATOM 1637 CD GLN A 106 -10.073 -6.117 8.009 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.876 -6.838 8.576 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.304 -5.311 8.704 1.00 0.00 N ATOM 0 H GLN A 106 -9.575 -7.447 3.960 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.272 -6.285 3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.082 -6.177 6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.261 -7.676 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.084 -6.688 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.731 -5.060 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.633 -4.709 8.227 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.378 -5.287 9.721 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.614 -4.587 3.510 1.00 0.00 N ATOM 1649 CA TYR A 107 -8.999 -3.268 3.371 1.00 0.00 C ATOM 1650 C TYR A 107 -8.771 -2.624 4.754 1.00 0.00 C ATOM 1651 O TYR A 107 -9.342 -1.599 5.089 1.00 0.00 O ATOM 1652 CB TYR A 107 -9.872 -2.452 2.397 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.504 -1.002 2.292 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.309 -0.664 1.664 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.286 -0.017 2.921 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.900 0.675 1.642 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.841 1.315 2.954 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.646 1.670 2.298 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.218 2.961 2.286 1.00 0.00 O ATOM 0 H TYR A 107 -9.052 -5.342 3.116 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.998 -3.321 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -9.806 -2.902 1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.913 -2.527 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.703 -1.427 1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.227 -0.284 3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.998 0.947 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.413 2.064 3.481 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.371 3.364 3.166 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.941 -3.253 5.596 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.586 -2.690 6.902 1.00 0.00 C ATOM 1671 C CYS A 108 -7.134 -1.224 6.829 1.00 0.00 C ATOM 1672 O CYS A 108 -7.455 -0.436 7.713 1.00 0.00 O ATOM 1673 CB CYS A 108 -6.469 -3.524 7.514 1.00 0.00 C ATOM 1674 SG CYS A 108 -6.222 -3.231 9.270 1.00 0.00 S ATOM 0 H CYS A 108 -7.503 -4.152 5.395 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.486 -2.716 7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.690 -4.580 7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.539 -3.312 6.986 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.400 -0.875 5.772 1.00 0.00 N ATOM 1680 CA GLY A 109 -6.033 0.497 5.471 1.00 0.00 C ATOM 1681 C GLY A 109 -4.861 0.553 4.509 1.00 0.00 C ATOM 1682 O GLY A 109 -4.204 -0.439 4.211 1.00 0.00 O ATOM 0 H GLY A 109 -6.042 -1.550 5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.887 1.018 5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.775 1.018 6.393 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.597 1.734 3.978 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.475 1.943 3.058 1.00 0.00 C ATOM 1688 C VAL A 110 -2.234 2.345 3.838 1.00 0.00 C ATOM 1689 O VAL A 110 -2.328 2.878 4.936 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.799 2.993 1.972 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -3.096 2.655 0.654 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -5.292 3.168 1.713 1.00 0.00 C ATOM 0 H VAL A 110 -5.145 2.574 4.166 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.289 1.001 2.543 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.426 3.938 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.341 3.410 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.018 2.637 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.428 1.677 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.441 3.921 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.718 2.220 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.785 3.488 2.631 1.00 0.00 H new ATOM 1702 N MET A 111 -1.053 2.129 3.284 1.00 0.00 N ATOM 1703 CA MET A 111 0.211 2.536 3.886 1.00 0.00 C ATOM 1704 C MET A 111 1.098 3.207 2.862 1.00 0.00 C ATOM 1705 O MET A 111 0.852 3.066 1.670 1.00 0.00 O ATOM 1706 CB MET A 111 0.904 1.337 4.551 1.00 0.00 C ATOM 1707 CG MET A 111 1.123 0.154 3.613 1.00 0.00 C ATOM 1708 SD MET A 111 2.086 -1.177 4.358 1.00 0.00 S ATOM 1709 CE MET A 111 2.113 -2.362 2.987 1.00 0.00 C ATOM 0 H MET A 111 -0.941 1.657 2.387 1.00 0.00 H new ATOM 0 HA MET A 111 0.008 3.268 4.668 1.00 0.00 H new ATOM 0 HB2 MET A 111 1.868 1.659 4.945 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.305 1.009 5.401 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.155 -0.238 3.301 1.00 0.00 H new ATOM 0 HG3 MET A 111 1.631 0.501 2.713 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.745 -3.328 3.333 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.477 -1.999 2.180 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.134 -2.473 2.622 1.00 0.00 H new ATOM 1719 N THR A 112 2.155 3.885 3.301 1.00 0.00 N ATOM 1720 CA THR A 112 3.192 4.469 2.454 1.00 0.00 C ATOM 1721 C THR A 112 4.593 4.428 3.075 1.00 0.00 C ATOM 1722 O THR A 112 4.832 3.884 4.143 1.00 0.00 O ATOM 1723 CB THR A 112 2.797 5.888 2.080 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.601 6.289 0.986 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.930 6.860 3.238 1.00 0.00 C ATOM 0 H THR A 112 2.319 4.049 4.294 1.00 0.00 H new ATOM 0 HA THR A 112 3.260 3.853 1.557 1.00 0.00 H new ATOM 0 HB THR A 112 1.742 5.900 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.288 7.155 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.634 7.857 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.286 6.540 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.965 6.882 3.578 1.00 0.00 H new ATOM 1733 N HIS A 113 5.585 4.997 2.400 1.00 0.00 N ATOM 1734 CA HIS A 113 6.919 5.154 2.964 1.00 0.00 C ATOM 1735 C HIS A 113 7.156 6.604 3.357 1.00 0.00 C ATOM 1736 O HIS A 113 6.918 7.506 2.560 1.00 0.00 O ATOM 1737 CB HIS A 113 7.948 4.671 1.952 1.00 0.00 C ATOM 1738 CG HIS A 113 7.643 3.321 1.355 1.00 0.00 C ATOM 1739 ND1 HIS A 113 7.810 2.980 0.031 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.136 2.238 2.005 1.00 0.00 C ATOM 1741 CE1 HIS A 113 7.415 1.704 -0.133 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.023 1.239 1.065 1.00 0.00 N ATOM 0 H HIS A 113 5.488 5.360 1.452 1.00 0.00 H new ATOM 0 HA HIS A 113 7.014 4.552 3.868 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.021 5.403 1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 113 8.924 4.630 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.874 2.175 3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.413 1.152 -1.062 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.693 0.292 1.249 1.00 0.00 H new ATOM 1751 N SER A 114 7.753 6.801 4.533 1.00 0.00 N ATOM 1752 CA SER A 114 8.148 8.137 4.986 1.00 0.00 C ATOM 1753 C SER A 114 9.162 8.752 4.041 1.00 0.00 C ATOM 1754 O SER A 114 9.045 9.922 3.756 1.00 0.00 O ATOM 1755 CB SER A 114 8.728 8.094 6.404 1.00 0.00 C ATOM 1756 OG SER A 114 9.588 9.186 6.715 1.00 0.00 O ATOM 0 H SER A 114 7.974 6.053 5.190 1.00 0.00 H new ATOM 0 HA SER A 114 7.250 8.754 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.907 8.077 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.281 7.163 6.531 1.00 0.00 H new ATOM 0 HG SER A 114 9.917 9.092 7.633 1.00 0.00 H new ATOM 1762 N LYS A 115 10.169 8.001 3.582 1.00 0.00 N ATOM 1763 CA LYS A 115 11.244 8.511 2.718 1.00 0.00 C ATOM 1764 C LYS A 115 10.756 8.580 1.293 1.00 0.00 C ATOM 1765 O LYS A 115 10.555 7.539 0.695 1.00 0.00 O ATOM 1766 CB LYS A 115 12.473 7.592 2.789 1.00 0.00 C ATOM 1767 CG LYS A 115 13.462 8.141 3.807 1.00 0.00 C ATOM 1768 CD LYS A 115 12.888 8.128 5.235 1.00 0.00 C ATOM 1769 CE LYS A 115 13.620 9.079 6.168 1.00 0.00 C ATOM 1770 NZ LYS A 115 13.280 10.472 5.790 1.00 0.00 N ATOM 0 H LYS A 115 10.263 7.009 3.802 1.00 0.00 H new ATOM 0 HA LYS A 115 11.526 9.506 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.170 6.583 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.945 7.523 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.377 7.549 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.734 9.161 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.833 8.399 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.945 7.116 5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.334 8.888 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.696 8.921 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.480 11.107 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.851 10.758 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.271 10.529 5.546 1.00 0.00 H new ATOM 1784 N VAL A 116 10.579 9.774 0.745 1.00 0.00 N ATOM 1785 CA VAL A 116 10.095 9.937 -0.622 1.00 0.00 C ATOM 1786 C VAL A 116 10.641 11.237 -1.184 1.00 0.00 C ATOM 1787 O VAL A 116 10.213 12.277 -0.742 1.00 0.00 O ATOM 1788 CB VAL A 116 8.545 9.911 -0.676 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.005 8.483 -0.547 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.825 10.731 0.407 1.00 0.00 C ATOM 0 H VAL A 116 10.765 10.652 1.230 1.00 0.00 H new ATOM 0 HA VAL A 116 10.447 9.104 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 116 8.335 10.361 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.916 8.501 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.390 7.873 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.325 8.058 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.747 10.642 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.102 10.355 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.115 11.778 0.323 1.00 0.00 H new ATOM 1800 N ASP A 117 11.589 11.199 -2.124 1.00 0.00 N ATOM 1801 CA ASP A 117 12.140 12.427 -2.736 1.00 0.00 C ATOM 1802 C ASP A 117 11.732 12.534 -4.203 1.00 0.00 C ATOM 1803 O ASP A 117 10.764 13.197 -4.565 1.00 0.00 O ATOM 1804 CB ASP A 117 13.659 12.490 -2.506 1.00 0.00 C ATOM 1805 CG ASP A 117 14.310 13.762 -3.068 1.00 0.00 C ATOM 1806 OD1 ASP A 117 14.233 14.804 -2.398 1.00 0.00 O ATOM 1807 OD2 ASP A 117 14.909 13.664 -4.169 1.00 0.00 O ATOM 0 H ASP A 117 11.996 10.335 -2.483 1.00 0.00 H new ATOM 0 HA ASP A 117 11.715 13.306 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.860 12.431 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.125 11.619 -2.966 1.00 0.00 H new ATOM 1812 N LYS A 118 12.411 11.748 -5.034 1.00 0.00 N ATOM 1813 CA LYS A 118 12.194 11.670 -6.481 1.00 0.00 C ATOM 1814 C LYS A 118 11.706 10.306 -6.914 1.00 0.00 C ATOM 1815 O LYS A 118 10.710 10.176 -7.616 1.00 0.00 O ATOM 1816 CB LYS A 118 13.491 12.031 -7.202 1.00 0.00 C ATOM 1817 CG LYS A 118 13.678 13.549 -7.304 1.00 0.00 C ATOM 1818 CD LYS A 118 14.907 13.874 -8.164 1.00 0.00 C ATOM 1819 CE LYS A 118 16.228 13.716 -7.399 1.00 0.00 C ATOM 1820 NZ LYS A 118 16.344 14.707 -6.295 1.00 0.00 N ATOM 0 H LYS A 118 13.152 11.126 -4.711 1.00 0.00 H new ATOM 0 HA LYS A 118 11.411 12.381 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.337 11.595 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.485 11.597 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 118 12.789 14.004 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.798 13.976 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 118 14.917 13.220 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 118 14.826 14.897 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 118 16.295 12.707 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 118 17.064 13.838 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 17.346 14.936 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 15.826 15.572 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 15.941 14.306 -5.424 1.00 0.00 H new ATOM 1834 N ASN A 119 12.363 9.276 -6.391 1.00 0.00 N ATOM 1835 CA ASN A 119 11.997 7.892 -6.671 1.00 0.00 C ATOM 1836 C ASN A 119 10.885 7.387 -5.767 1.00 0.00 C ATOM 1837 O ASN A 119 10.556 6.212 -5.872 1.00 0.00 O ATOM 1838 CB ASN A 119 13.227 6.992 -6.513 1.00 0.00 C ATOM 1839 CG ASN A 119 14.165 7.108 -7.688 1.00 0.00 C ATOM 1840 OD1 ASN A 119 14.615 8.181 -8.044 1.00 0.00 O ATOM 1841 ND2 ASN A 119 14.501 5.997 -8.296 1.00 0.00 N ATOM 0 H ASN A 119 13.161 9.376 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 119 11.627 7.859 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.757 7.259 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.907 5.956 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.150 6.022 -9.082 1.00 0.00 H new ATOM 0 HD22 ASN A 119 14.113 5.107 -7.983 1.00 0.00 H new ATOM 1848 N ASN A 120 10.381 8.225 -4.842 1.00 0.00 N ATOM 1849 CA ASN A 120 9.315 7.886 -3.899 1.00 0.00 C ATOM 1850 C ASN A 120 9.449 6.448 -3.335 1.00 0.00 C ATOM 1851 O ASN A 120 8.481 5.733 -3.129 1.00 0.00 O ATOM 1852 CB ASN A 120 7.947 8.255 -4.517 1.00 0.00 C ATOM 1853 CG ASN A 120 7.786 7.867 -5.969 1.00 0.00 C ATOM 1854 OD1 ASN A 120 7.781 6.712 -6.329 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.665 8.824 -6.857 1.00 0.00 N ATOM 0 H ASN A 120 10.718 9.181 -4.732 1.00 0.00 H new ATOM 0 HA ASN A 120 9.408 8.491 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.160 7.774 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.800 9.331 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.567 8.593 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.669 9.800 -6.559 1.00 0.00 H new ATOM 1862 N GLN A 121 10.677 5.993 -3.080 1.00 0.00 N ATOM 1863 CA GLN A 121 10.941 4.603 -2.725 1.00 0.00 C ATOM 1864 C GLN A 121 11.052 4.456 -1.216 1.00 0.00 C ATOM 1865 O GLN A 121 11.547 5.353 -0.553 1.00 0.00 O ATOM 1866 CB GLN A 121 12.238 4.140 -3.386 1.00 0.00 C ATOM 1867 CG GLN A 121 12.218 2.619 -3.597 1.00 0.00 C ATOM 1868 CD GLN A 121 13.148 2.232 -4.734 1.00 0.00 C ATOM 1869 OE1 GLN A 121 12.738 1.688 -5.739 1.00 0.00 O ATOM 1870 NE2 GLN A 121 14.421 2.542 -4.622 1.00 0.00 N ATOM 0 H GLN A 121 11.512 6.578 -3.114 1.00 0.00 H new ATOM 0 HA GLN A 121 10.115 3.986 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 121 12.366 4.645 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.089 4.416 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.523 2.114 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 121 11.203 2.289 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 121 14.762 2.999 -3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 121 15.067 2.325 -5.381 1.00 0.00 H new ATOM 1879 N GLY A 122 10.687 3.299 -0.668 1.00 0.00 N ATOM 1880 CA GLY A 122 10.770 3.098 0.776 1.00 0.00 C ATOM 1881 C GLY A 122 12.153 2.653 1.189 1.00 0.00 C ATOM 1882 O GLY A 122 12.743 1.813 0.512 1.00 0.00 O ATOM 0 H GLY A 122 10.336 2.498 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.515 4.025 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.038 2.351 1.084 1.00 0.00 H new ATOM 1886 N LYS A 123 12.649 3.236 2.285 1.00 0.00 N ATOM 1887 CA LYS A 123 13.958 2.900 2.849 1.00 0.00 C ATOM 1888 C LYS A 123 13.843 2.573 4.331 1.00 0.00 C ATOM 1889 O LYS A 123 13.901 1.405 4.670 1.00 0.00 O ATOM 1890 CB LYS A 123 15.001 3.986 2.555 1.00 0.00 C ATOM 1891 CG LYS A 123 14.891 4.598 1.154 1.00 0.00 C ATOM 1892 CD LYS A 123 16.257 5.107 0.712 1.00 0.00 C ATOM 1893 CE LYS A 123 16.125 5.736 -0.674 1.00 0.00 C ATOM 1894 NZ LYS A 123 17.393 6.395 -1.064 1.00 0.00 N ATOM 0 H LYS A 123 12.151 3.957 2.807 1.00 0.00 H new ATOM 0 HA LYS A 123 14.319 1.999 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.901 4.780 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.997 3.560 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.523 3.853 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.171 5.416 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.635 5.840 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.975 4.287 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.866 4.970 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.314 6.464 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 17.288 6.818 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 17.624 7.139 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.158 5.691 -1.083 1.00 0.00 H new ATOM 1908 N GLU A 124 13.587 3.590 5.156 1.00 0.00 N ATOM 1909 CA GLU A 124 13.510 3.496 6.617 1.00 0.00 C ATOM 1910 C GLU A 124 12.566 2.383 7.050 1.00 0.00 C ATOM 1911 O GLU A 124 12.998 1.369 7.586 1.00 0.00 O ATOM 1912 CB GLU A 124 13.051 4.849 7.202 1.00 0.00 C ATOM 1913 CG GLU A 124 14.188 5.816 7.564 1.00 0.00 C ATOM 1914 CD GLU A 124 15.322 5.865 6.531 1.00 0.00 C ATOM 1915 OE1 GLU A 124 14.991 5.964 5.329 1.00 0.00 O ATOM 1916 OE2 GLU A 124 16.493 5.900 6.947 1.00 0.00 O ATOM 0 H GLU A 124 13.421 4.536 4.814 1.00 0.00 H new ATOM 0 HA GLU A 124 14.502 3.256 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.395 5.336 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.457 4.659 8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.775 6.818 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.603 5.527 8.530 1.00 0.00 H new ATOM 1923 N PHE A 125 11.269 2.592 6.834 1.00 0.00 N ATOM 1924 CA PHE A 125 10.222 1.639 7.125 1.00 0.00 C ATOM 1925 C PHE A 125 8.941 2.010 6.373 1.00 0.00 C ATOM 1926 O PHE A 125 8.871 3.011 5.645 1.00 0.00 O ATOM 1927 CB PHE A 125 10.006 1.606 8.647 1.00 0.00 C ATOM 1928 CG PHE A 125 9.746 2.961 9.283 1.00 0.00 C ATOM 1929 CD1 PHE A 125 8.448 3.503 9.311 1.00 0.00 C ATOM 1930 CD2 PHE A 125 10.817 3.685 9.841 1.00 0.00 C ATOM 1931 CE1 PHE A 125 8.234 4.766 9.897 1.00 0.00 C ATOM 1932 CE2 PHE A 125 10.604 4.958 10.399 1.00 0.00 C ATOM 1933 CZ PHE A 125 9.308 5.498 10.430 1.00 0.00 C ATOM 0 H PHE A 125 10.915 3.463 6.438 1.00 0.00 H new ATOM 0 HA PHE A 125 10.508 0.643 6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 125 9.164 0.950 8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.885 1.163 9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 125 7.621 2.954 8.886 1.00 0.00 H new ATOM 0 HD2 PHE A 125 11.810 3.259 9.840 1.00 0.00 H new ATOM 0 HE1 PHE A 125 7.235 5.175 9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.434 5.519 10.802 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.138 6.473 10.862 1.00 0.00 H new ATOM 1943 N PHE A 126 7.912 1.196 6.579 1.00 0.00 N ATOM 1944 CA PHE A 126 6.587 1.374 6.025 1.00 0.00 C ATOM 1945 C PHE A 126 5.697 2.029 7.081 1.00 0.00 C ATOM 1946 O PHE A 126 5.442 1.461 8.134 1.00 0.00 O ATOM 1947 CB PHE A 126 6.073 0.011 5.533 1.00 0.00 C ATOM 1948 CG PHE A 126 5.430 0.067 4.169 1.00 0.00 C ATOM 1949 CD1 PHE A 126 4.465 1.044 3.903 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.794 -0.847 3.163 1.00 0.00 C ATOM 1951 CE1 PHE A 126 3.952 1.158 2.607 1.00 0.00 C ATOM 1952 CE2 PHE A 126 5.175 -0.801 1.901 1.00 0.00 C ATOM 1953 CZ PHE A 126 4.288 0.246 1.611 1.00 0.00 C ATOM 0 H PHE A 126 7.988 0.362 7.161 1.00 0.00 H new ATOM 0 HA PHE A 126 6.588 2.039 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 126 6.904 -0.693 5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 126 5.350 -0.377 6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 126 4.121 1.701 4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 126 6.554 -1.589 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.281 1.971 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.380 -1.563 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.868 0.344 0.621 1.00 0.00 H new ATOM 1963 N GLU A 127 5.289 3.275 6.877 1.00 0.00 N ATOM 1964 CA GLU A 127 4.303 3.937 7.720 1.00 0.00 C ATOM 1965 C GLU A 127 2.918 3.885 7.069 1.00 0.00 C ATOM 1966 O GLU A 127 2.748 4.280 5.927 1.00 0.00 O ATOM 1967 CB GLU A 127 4.787 5.349 8.037 1.00 0.00 C ATOM 1968 CG GLU A 127 5.017 6.249 6.816 1.00 0.00 C ATOM 1969 CD GLU A 127 3.973 7.360 6.632 1.00 0.00 C ATOM 1970 OE1 GLU A 127 3.087 7.513 7.499 1.00 0.00 O ATOM 1971 OE2 GLU A 127 4.196 8.140 5.681 1.00 0.00 O ATOM 0 H GLU A 127 5.636 3.859 6.116 1.00 0.00 H new ATOM 0 HA GLU A 127 4.196 3.415 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.057 5.828 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.719 5.279 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.003 6.706 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.028 5.628 5.921 1.00 0.00 H new ATOM 1978 N LYS A 128 1.918 3.340 7.772 1.00 0.00 N ATOM 1979 CA LYS A 128 0.500 3.424 7.357 1.00 0.00 C ATOM 1980 C LYS A 128 0.078 4.834 6.929 1.00 0.00 C ATOM 1981 O LYS A 128 0.686 5.804 7.349 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.455 2.894 8.428 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.195 3.543 9.792 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.064 4.786 9.999 1.00 0.00 C ATOM 1985 CE LYS A 128 -0.397 5.768 10.950 1.00 0.00 C ATOM 1986 NZ LYS A 128 -1.363 6.811 11.340 1.00 0.00 N ATOM 0 H LYS A 128 2.061 2.829 8.643 1.00 0.00 H new ATOM 0 HA LYS A 128 0.427 2.779 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.484 3.085 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.343 1.813 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.397 2.821 10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.857 3.817 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.246 5.270 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.035 4.492 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.035 5.244 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.470 6.222 10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.151 7.690 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.326 6.497 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -1.294 6.983 12.363 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.039 4.937 6.222 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.646 6.195 5.813 1.00 0.00 C ATOM 2002 C CYS A 129 -2.836 6.531 6.708 1.00 0.00 C ATOM 2003 O CYS A 129 -3.174 5.760 7.612 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.045 6.095 4.336 1.00 0.00 C ATOM 2005 SG CYS A 129 -0.621 6.108 3.228 1.00 0.00 S ATOM 0 H CYS A 129 -1.564 4.121 5.908 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.931 7.010 5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -2.614 5.179 4.179 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -2.703 6.926 4.085 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.448 7.683 6.441 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.583 8.210 7.196 1.00 0.00 C ATOM 2012 C ASP A 130 -5.545 9.041 6.344 1.00 0.00 C ATOM 2013 O ASP A 130 -5.064 9.922 5.575 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.084 9.057 8.380 1.00 0.00 C ATOM 2015 CG ASP A 130 -3.163 8.338 9.385 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -3.633 7.646 10.333 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -1.921 8.518 9.344 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.750 8.766 6.462 1.00 0.00 O ATOM 0 H ASP A 130 -3.161 8.291 5.674 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.141 7.345 7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.551 9.921 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.951 9.437 8.920 1.00 0.00 H new TER 2023 ASP A 130