USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 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 58 TYR OH : rot -113:sc= 1.21 USER MOD Set 1.2: A 96 GLN : amide:sc= 1.06 K(o=2.3,f=-1.4) USER MOD Set 2.1: A 48 THR OG1 : rot -94:sc= 1.28 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.618 K(o=0.67,f=-0.73) USER MOD Set 3.1: A 1 GLN : amide:sc= 0.985 K(o=2.1,f=-12!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 161:sc= 1.15 (180deg=-0.355) USER MOD Set 4.1: A 1 GLN N :NH3+ 152:sc= 0.593 (180deg=0.172) USER MOD Set 4.2: A 19 ASN : amide:sc= 0.918 K(o=1.5,f=-8.9!) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.991) USER MOD Single : A 22 TYR OH : rot 40:sc= -3.7! USER MOD Single : A 24 SER OG : rot 87:sc= 1.27 USER MOD Single : A 31 ASN : amide:sc= -3.59! C(o=-3.6!,f=-1.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0394) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0342 (180deg=-0.205) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.552 (180deg=-2.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -75:sc= -1.66! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= -0.0983 (180deg=-0.458) USER MOD Single : A 71 SER OG : rot 14:sc= 0.235 USER MOD Single : A 74 THR OG1 : rot -78:sc= 0.465 USER MOD Single : A 77 MET CE :methyl -168:sc=-0.00711 (180deg=-0.205) USER MOD Single : A 78 SER OG : rot 180:sc= -2.8! USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 180:sc= -3.33! (180deg=-3.33!) USER MOD Single : A 84 MET CE :methyl 160:sc= -0.82 (180deg=-1.6!) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc=-0.00494 (180deg=-0.0831) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0236) USER MOD Single : A 91 LYS NZ :NH3+ -131:sc= -0.792 (180deg=-2.9!) USER MOD Single : A 92 LYS NZ :NH3+ -135:sc= -0.828 (180deg=-2.91!) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0161) USER MOD Single : A 102 TYR OH : rot 52:sc= 0.897 USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= -0.0731 (180deg=-0.368) USER MOD Single : A 105 THR OG1 : rot 55:sc= 0.00741 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -1.045 -3.048 11.022 1.00 0.00 N ATOM 2 CA GLN A 1 -1.959 -3.034 12.184 1.00 0.00 C ATOM 3 C GLN A 1 -1.557 -1.946 13.168 1.00 0.00 C ATOM 4 O GLN A 1 -0.374 -1.785 13.472 1.00 0.00 O ATOM 5 CB GLN A 1 -1.938 -4.392 12.892 1.00 0.00 C ATOM 6 CG GLN A 1 -2.907 -4.478 14.059 1.00 0.00 C ATOM 7 CD GLN A 1 -4.353 -4.441 13.614 1.00 0.00 C ATOM 8 OE1 GLN A 1 -4.941 -3.372 13.464 1.00 0.00 O ATOM 9 NE2 GLN A 1 -4.932 -5.610 13.395 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.003 -4.008 10.625 1.00 0.00 H new ATOM 0 H2 GLN A 1 -1.395 -2.389 10.297 1.00 0.00 H new ATOM 0 H3 GLN A 1 -0.094 -2.756 11.325 1.00 0.00 H new ATOM 0 HA GLN A 1 -2.966 -2.831 11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -2.179 -5.173 12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -0.928 -4.590 13.252 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -2.724 -5.399 14.612 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -2.720 -3.652 14.745 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.406 -6.473 13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -5.904 -5.648 13.089 1.00 0.00 H new ATOM 20 N GLU A 2 -2.536 -1.163 13.610 1.00 0.00 N ATOM 21 CA GLU A 2 -2.343 -0.240 14.726 1.00 0.00 C ATOM 22 C GLU A 2 -1.764 -0.973 15.937 1.00 0.00 C ATOM 23 O GLU A 2 -2.494 -1.609 16.696 1.00 0.00 O ATOM 24 CB GLU A 2 -3.662 0.422 15.151 1.00 0.00 C ATOM 25 CG GLU A 2 -4.429 1.110 14.034 1.00 0.00 C ATOM 26 CD GLU A 2 -5.208 0.137 13.176 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.340 -0.219 13.556 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.681 -0.288 12.126 1.00 0.00 O ATOM 0 H GLU A 2 -3.475 -1.149 13.211 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.651 0.528 14.382 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.304 -0.338 15.597 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.448 1.155 15.929 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.116 1.838 14.465 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.731 1.663 13.406 1.00 0.00 H new ATOM 35 N ALA A 3 -0.453 -0.906 16.095 1.00 0.00 N ATOM 36 CA ALA A 3 0.207 -1.457 17.267 1.00 0.00 C ATOM 37 C ALA A 3 0.718 -0.324 18.146 1.00 0.00 C ATOM 38 O ALA A 3 1.925 -0.123 18.288 1.00 0.00 O ATOM 39 CB ALA A 3 1.342 -2.384 16.854 1.00 0.00 C ATOM 0 H ALA A 3 0.179 -0.473 15.422 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.510 -2.045 17.839 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.825 -2.787 17.744 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.943 -3.203 16.255 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.072 -1.827 16.267 1.00 0.00 H new ATOM 45 N GLY A 4 -0.214 0.423 18.715 1.00 0.00 N ATOM 46 CA GLY A 4 0.136 1.603 19.477 1.00 0.00 C ATOM 47 C GLY A 4 -0.501 2.844 18.888 1.00 0.00 C ATOM 48 O GLY A 4 -1.719 3.013 18.958 1.00 0.00 O ATOM 0 H GLY A 4 -1.214 0.231 18.662 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.187 1.481 20.511 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.220 1.720 19.494 1.00 0.00 H new ATOM 52 N GLY A 5 0.312 3.694 18.283 1.00 0.00 N ATOM 53 CA GLY A 5 -0.197 4.903 17.669 1.00 0.00 C ATOM 54 C GLY A 5 0.130 4.975 16.193 1.00 0.00 C ATOM 55 O GLY A 5 0.845 5.880 15.754 1.00 0.00 O ATOM 0 H GLY A 5 1.321 3.568 18.205 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.278 4.949 17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.224 5.771 18.176 1.00 0.00 H new ATOM 59 N ARG A 6 -0.395 4.011 15.436 1.00 0.00 N ATOM 60 CA ARG A 6 -0.154 3.911 13.994 1.00 0.00 C ATOM 61 C ARG A 6 1.346 3.844 13.679 1.00 0.00 C ATOM 62 O ARG A 6 1.958 4.830 13.265 1.00 0.00 O ATOM 63 CB ARG A 6 -0.805 5.084 13.245 1.00 0.00 C ATOM 64 CG ARG A 6 -0.604 5.034 11.734 1.00 0.00 C ATOM 65 CD ARG A 6 -1.328 3.854 11.099 1.00 0.00 C ATOM 66 NE ARG A 6 -2.772 4.057 11.057 1.00 0.00 N ATOM 67 CZ ARG A 6 -3.667 3.075 11.102 1.00 0.00 C ATOM 68 NH1 ARG A 6 -3.271 1.809 11.182 1.00 0.00 N ATOM 69 NH2 ARG A 6 -4.961 3.360 11.063 1.00 0.00 N ATOM 0 H ARG A 6 -1.000 3.277 15.804 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.613 2.983 13.651 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.873 5.093 13.460 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.395 6.019 13.626 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.965 5.962 11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.461 4.967 11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.954 3.701 10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.106 2.947 11.661 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.117 5.014 10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.276 1.587 11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.962 1.060 11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.268 4.331 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.650 2.609 11.097 1.00 0.00 H new ATOM 83 N PRO A 7 1.960 2.669 13.854 1.00 0.00 N ATOM 84 CA PRO A 7 3.364 2.455 13.552 1.00 0.00 C ATOM 85 C PRO A 7 3.548 2.096 12.084 1.00 0.00 C ATOM 86 O PRO A 7 4.065 1.030 11.750 1.00 0.00 O ATOM 87 CB PRO A 7 3.756 1.275 14.455 1.00 0.00 C ATOM 88 CG PRO A 7 2.486 0.792 15.091 1.00 0.00 C ATOM 89 CD PRO A 7 1.349 1.442 14.352 1.00 0.00 C ATOM 0 HA PRO A 7 3.975 3.341 13.726 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.227 0.481 13.875 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.476 1.587 15.212 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.414 -0.294 15.032 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.460 1.056 16.148 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.980 0.814 13.541 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.503 1.647 15.008 1.00 0.00 H new ATOM 97 N GLY A 8 3.099 2.987 11.209 1.00 0.00 N ATOM 98 CA GLY A 8 3.141 2.709 9.792 1.00 0.00 C ATOM 99 C GLY A 8 4.522 2.892 9.214 1.00 0.00 C ATOM 100 O GLY A 8 4.919 2.166 8.308 1.00 0.00 O ATOM 0 H GLY A 8 2.707 3.895 11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.808 1.686 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.443 3.366 9.274 1.00 0.00 H new ATOM 104 N ALA A 9 5.250 3.868 9.746 1.00 0.00 N ATOM 105 CA ALA A 9 6.584 4.180 9.259 1.00 0.00 C ATOM 106 C ALA A 9 7.300 5.144 10.196 1.00 0.00 C ATOM 107 O ALA A 9 7.922 4.731 11.173 1.00 0.00 O ATOM 108 CB ALA A 9 6.516 4.769 7.860 1.00 0.00 C ATOM 0 H ALA A 9 4.935 4.457 10.517 1.00 0.00 H new ATOM 0 HA ALA A 9 7.152 3.250 9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.523 4.996 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.052 4.050 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.923 5.684 7.879 1.00 0.00 H new ATOM 114 N ASP A 10 7.178 6.433 9.903 1.00 0.00 N ATOM 115 CA ASP A 10 7.841 7.466 10.688 1.00 0.00 C ATOM 116 C ASP A 10 7.095 8.786 10.559 1.00 0.00 C ATOM 117 O ASP A 10 6.805 9.443 11.554 1.00 0.00 O ATOM 118 CB ASP A 10 9.292 7.643 10.231 1.00 0.00 C ATOM 119 CG ASP A 10 10.002 8.749 10.985 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.429 8.512 12.132 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.137 9.861 10.433 1.00 0.00 O ATOM 0 H ASP A 10 6.624 6.788 9.124 1.00 0.00 H new ATOM 0 HA ASP A 10 7.839 7.155 11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.832 6.706 10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.310 7.864 9.164 1.00 0.00 H new ATOM 126 N CYS A 11 6.772 9.154 9.324 1.00 0.00 N ATOM 127 CA CYS A 11 6.058 10.396 9.054 1.00 0.00 C ATOM 128 C CYS A 11 4.571 10.276 9.401 1.00 0.00 C ATOM 129 O CYS A 11 4.209 10.191 10.573 1.00 0.00 O ATOM 130 CB CYS A 11 6.243 10.797 7.590 1.00 0.00 C ATOM 131 SG CYS A 11 5.796 9.480 6.410 1.00 0.00 S ATOM 0 H CYS A 11 6.994 8.608 8.492 1.00 0.00 H new ATOM 0 HA CYS A 11 6.478 11.175 9.690 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.636 11.679 7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.283 11.081 7.428 1.00 0.00 H new ATOM 136 N GLU A 12 3.709 10.222 8.389 1.00 0.00 N ATOM 137 CA GLU A 12 2.274 10.206 8.627 1.00 0.00 C ATOM 138 C GLU A 12 1.526 9.522 7.485 1.00 0.00 C ATOM 139 O GLU A 12 1.066 8.403 7.638 1.00 0.00 O ATOM 140 CB GLU A 12 1.758 11.642 8.804 1.00 0.00 C ATOM 141 CG GLU A 12 0.259 11.743 9.036 1.00 0.00 C ATOM 142 CD GLU A 12 -0.157 11.261 10.409 1.00 0.00 C ATOM 143 OE1 GLU A 12 0.035 10.068 10.711 1.00 0.00 O ATOM 144 OE2 GLU A 12 -0.670 12.084 11.199 1.00 0.00 O ATOM 0 H GLU A 12 3.979 10.189 7.406 1.00 0.00 H new ATOM 0 HA GLU A 12 2.090 9.636 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.276 12.101 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.017 12.221 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.054 12.779 8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.261 11.158 8.278 1.00 0.00 H new ATOM 151 N VAL A 13 1.432 10.192 6.337 1.00 0.00 N ATOM 152 CA VAL A 13 0.630 9.694 5.212 1.00 0.00 C ATOM 153 C VAL A 13 1.079 8.308 4.761 1.00 0.00 C ATOM 154 O VAL A 13 0.279 7.374 4.711 1.00 0.00 O ATOM 155 CB VAL A 13 0.678 10.661 4.012 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.038 10.075 2.804 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.059 11.990 4.394 1.00 0.00 C ATOM 0 H VAL A 13 1.900 11.081 6.158 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.396 9.626 5.574 1.00 0.00 H new ATOM 0 HB VAL A 13 1.722 10.816 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.013 10.780 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.441 9.139 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.081 9.886 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.097 12.668 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.979 11.836 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.613 12.424 5.227 1.00 0.00 H new ATOM 167 N CYS A 14 2.356 8.183 4.439 1.00 0.00 N ATOM 168 CA CYS A 14 2.920 6.903 4.029 1.00 0.00 C ATOM 169 C CYS A 14 2.748 5.867 5.134 1.00 0.00 C ATOM 170 O CYS A 14 2.487 4.691 4.878 1.00 0.00 O ATOM 171 CB CYS A 14 4.396 7.086 3.682 1.00 0.00 C ATOM 172 SG CYS A 14 5.286 5.546 3.320 1.00 0.00 S ATOM 0 H CYS A 14 3.025 8.953 4.453 1.00 0.00 H new ATOM 0 HA CYS A 14 2.391 6.542 3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.473 7.746 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.891 7.589 4.513 1.00 0.00 H new ATOM 177 N LYS A 15 2.854 6.337 6.365 1.00 0.00 N ATOM 178 CA LYS A 15 2.712 5.491 7.534 1.00 0.00 C ATOM 179 C LYS A 15 1.271 4.989 7.669 1.00 0.00 C ATOM 180 O LYS A 15 1.031 3.803 7.908 1.00 0.00 O ATOM 181 CB LYS A 15 3.147 6.293 8.774 1.00 0.00 C ATOM 182 CG LYS A 15 2.288 6.075 10.010 1.00 0.00 C ATOM 183 CD LYS A 15 2.550 7.139 11.066 1.00 0.00 C ATOM 184 CE LYS A 15 3.945 7.023 11.658 1.00 0.00 C ATOM 185 NZ LYS A 15 4.256 8.162 12.562 1.00 0.00 N ATOM 0 H LYS A 15 3.041 7.316 6.581 1.00 0.00 H new ATOM 0 HA LYS A 15 3.347 4.611 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.178 6.032 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.137 7.354 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.235 6.091 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.492 5.089 10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.425 8.127 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.810 7.050 11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.029 6.087 12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.680 6.986 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.188 8.014 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.267 9.046 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.531 8.223 13.305 1.00 0.00 H new ATOM 199 N GLU A 16 0.329 5.908 7.517 1.00 0.00 N ATOM 200 CA GLU A 16 -1.090 5.598 7.575 1.00 0.00 C ATOM 201 C GLU A 16 -1.459 4.548 6.543 1.00 0.00 C ATOM 202 O GLU A 16 -2.028 3.509 6.880 1.00 0.00 O ATOM 203 CB GLU A 16 -1.909 6.867 7.329 1.00 0.00 C ATOM 204 CG GLU A 16 -2.245 7.636 8.592 1.00 0.00 C ATOM 205 CD GLU A 16 -3.243 6.897 9.456 1.00 0.00 C ATOM 206 OE1 GLU A 16 -4.296 6.485 8.929 1.00 0.00 O ATOM 207 OE2 GLU A 16 -2.986 6.722 10.661 1.00 0.00 O ATOM 0 H GLU A 16 0.529 6.894 7.349 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.313 5.203 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.355 7.520 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.836 6.597 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.333 7.813 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.649 8.613 8.325 1.00 0.00 H new ATOM 214 N PHE A 17 -1.104 4.821 5.294 1.00 0.00 N ATOM 215 CA PHE A 17 -1.471 3.960 4.184 1.00 0.00 C ATOM 216 C PHE A 17 -0.972 2.536 4.401 1.00 0.00 C ATOM 217 O PHE A 17 -1.763 1.600 4.393 1.00 0.00 O ATOM 218 CB PHE A 17 -0.916 4.519 2.873 1.00 0.00 C ATOM 219 CG PHE A 17 -1.464 3.844 1.644 1.00 0.00 C ATOM 220 CD1 PHE A 17 -0.888 2.682 1.153 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.551 4.379 0.974 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.387 2.069 0.021 1.00 0.00 C ATOM 223 CE2 PHE A 17 -3.053 3.771 -0.161 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.471 2.614 -0.637 1.00 0.00 C ATOM 0 H PHE A 17 -0.558 5.640 5.026 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.559 3.932 4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.138 5.585 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.169 4.420 2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.039 2.251 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.013 5.283 1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.929 1.164 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.900 4.201 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.863 2.136 -1.523 1.00 0.00 H new ATOM 234 N LEU A 18 0.332 2.379 4.627 1.00 0.00 N ATOM 235 CA LEU A 18 0.928 1.055 4.732 1.00 0.00 C ATOM 236 C LEU A 18 0.337 0.269 5.893 1.00 0.00 C ATOM 237 O LEU A 18 -0.190 -0.818 5.703 1.00 0.00 O ATOM 238 CB LEU A 18 2.448 1.156 4.916 1.00 0.00 C ATOM 239 CG LEU A 18 3.228 1.803 3.771 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.644 2.106 4.219 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.260 0.897 2.554 1.00 0.00 C ATOM 0 H LEU A 18 0.990 3.150 4.740 1.00 0.00 H new ATOM 0 HA LEU A 18 0.707 0.529 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.645 1.721 5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.841 0.152 5.073 1.00 0.00 H new ATOM 0 HG LEU A 18 2.725 2.730 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.194 2.567 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.619 2.789 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.139 1.180 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.821 1.381 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.741 -0.046 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.241 0.704 2.217 1.00 0.00 H new ATOM 253 N ASN A 19 0.397 0.843 7.083 1.00 0.00 N ATOM 254 CA ASN A 19 0.039 0.125 8.303 1.00 0.00 C ATOM 255 C ASN A 19 -1.449 -0.224 8.349 1.00 0.00 C ATOM 256 O ASN A 19 -1.828 -1.348 8.703 1.00 0.00 O ATOM 257 CB ASN A 19 0.427 0.957 9.520 1.00 0.00 C ATOM 258 CG ASN A 19 0.183 0.231 10.820 1.00 0.00 C ATOM 259 OD1 ASN A 19 -0.875 0.369 11.428 1.00 0.00 O ATOM 260 ND2 ASN A 19 1.163 -0.549 11.253 1.00 0.00 N ATOM 0 H ASN A 19 0.691 1.808 7.234 1.00 0.00 H new ATOM 0 HA ASN A 19 0.589 -0.816 8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.481 1.226 9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.141 1.888 9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.056 -1.066 12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.025 -0.632 10.714 1.00 0.00 H new ATOM 267 N ARG A 20 -2.286 0.744 8.013 1.00 0.00 N ATOM 268 CA ARG A 20 -3.726 0.540 7.967 1.00 0.00 C ATOM 269 C ARG A 20 -4.119 -0.420 6.843 1.00 0.00 C ATOM 270 O ARG A 20 -4.996 -1.260 7.031 1.00 0.00 O ATOM 271 CB ARG A 20 -4.436 1.890 7.830 1.00 0.00 C ATOM 272 CG ARG A 20 -5.927 1.806 7.552 1.00 0.00 C ATOM 273 CD ARG A 20 -6.624 3.128 7.852 1.00 0.00 C ATOM 274 NE ARG A 20 -5.776 4.286 7.571 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.770 4.962 6.426 1.00 0.00 C ATOM 276 NH1 ARG A 20 -6.583 4.623 5.432 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.960 5.999 6.294 1.00 0.00 N ATOM 0 H ARG A 20 -1.990 1.688 7.766 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.043 0.076 8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.284 2.458 8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.963 2.452 7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.089 1.536 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.368 1.015 8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.536 3.197 7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.924 3.147 8.900 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.143 4.598 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.222 3.836 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.568 5.150 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.350 6.271 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.945 6.527 5.421 1.00 0.00 H new ATOM 291 N PHE A 21 -3.465 -0.323 5.691 1.00 0.00 N ATOM 292 CA PHE A 21 -3.697 -1.279 4.609 1.00 0.00 C ATOM 293 C PHE A 21 -3.327 -2.665 5.083 1.00 0.00 C ATOM 294 O PHE A 21 -4.063 -3.639 4.910 1.00 0.00 O ATOM 295 CB PHE A 21 -2.829 -0.931 3.405 1.00 0.00 C ATOM 296 CG PHE A 21 -2.965 -1.893 2.259 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.122 -1.943 1.502 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.930 -2.757 1.950 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.242 -2.837 0.456 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.045 -3.654 0.910 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.201 -3.695 0.161 1.00 0.00 C ATOM 0 H PHE A 21 -2.776 0.399 5.481 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.748 -1.241 4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.088 0.070 3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.786 -0.900 3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.940 -1.276 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.020 -2.728 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.149 -2.865 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.230 -4.324 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.293 -4.397 -0.655 1.00 0.00 H new ATOM 311 N TYR A 22 -2.175 -2.699 5.708 1.00 0.00 N ATOM 312 CA TYR A 22 -1.545 -3.906 6.175 1.00 0.00 C ATOM 313 C TYR A 22 -2.459 -4.706 7.104 1.00 0.00 C ATOM 314 O TYR A 22 -2.481 -5.934 7.055 1.00 0.00 O ATOM 315 CB TYR A 22 -0.258 -3.486 6.875 1.00 0.00 C ATOM 316 CG TYR A 22 0.769 -4.574 7.039 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.715 -5.727 6.268 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.821 -4.425 7.930 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.680 -6.702 6.381 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.788 -5.401 8.055 1.00 0.00 C ATOM 321 CZ TYR A 22 2.713 -6.534 7.275 1.00 0.00 C ATOM 322 OH TYR A 22 3.683 -7.495 7.376 1.00 0.00 O ATOM 0 H TYR A 22 -1.634 -1.858 5.911 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.330 -4.572 5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.191 -2.667 6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.511 -3.096 7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.097 -5.861 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.884 -3.532 8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.627 -7.593 5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.598 -5.278 8.759 1.00 0.00 H new ATOM 0 HH TYR A 22 3.906 -7.830 6.482 1.00 0.00 H new ATOM 332 N LYS A 23 -3.219 -4.020 7.950 1.00 0.00 N ATOM 333 CA LYS A 23 -4.146 -4.716 8.835 1.00 0.00 C ATOM 334 C LYS A 23 -5.477 -4.986 8.147 1.00 0.00 C ATOM 335 O LYS A 23 -6.153 -5.964 8.460 1.00 0.00 O ATOM 336 CB LYS A 23 -4.351 -3.951 10.148 1.00 0.00 C ATOM 337 CG LYS A 23 -4.779 -2.495 10.005 1.00 0.00 C ATOM 338 CD LYS A 23 -6.263 -2.342 9.691 1.00 0.00 C ATOM 339 CE LYS A 23 -7.150 -3.018 10.733 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.044 -2.384 12.074 1.00 0.00 N ATOM 0 H LYS A 23 -3.214 -3.004 8.042 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.697 -5.679 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.102 -4.475 10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.421 -3.983 10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.551 -1.962 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.195 -2.026 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.513 -1.282 9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.470 -2.769 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.187 -2.982 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.876 -4.070 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.869 -2.648 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.176 -2.710 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.013 -1.350 11.968 1.00 0.00 H new ATOM 354 N SER A 24 -5.844 -4.127 7.206 1.00 0.00 N ATOM 355 CA SER A 24 -7.115 -4.260 6.503 1.00 0.00 C ATOM 356 C SER A 24 -7.194 -5.593 5.772 1.00 0.00 C ATOM 357 O SER A 24 -8.228 -6.252 5.784 1.00 0.00 O ATOM 358 CB SER A 24 -7.310 -3.101 5.522 1.00 0.00 C ATOM 359 OG SER A 24 -7.398 -1.867 6.213 1.00 0.00 O ATOM 0 H SER A 24 -5.280 -3.330 6.911 1.00 0.00 H new ATOM 0 HA SER A 24 -7.916 -4.228 7.242 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.478 -3.070 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.216 -3.261 4.938 1.00 0.00 H new ATOM 0 HG SER A 24 -6.498 -1.507 6.355 1.00 0.00 H new ATOM 365 N LEU A 25 -6.089 -5.999 5.169 1.00 0.00 N ATOM 366 CA LEU A 25 -6.035 -7.263 4.446 1.00 0.00 C ATOM 367 C LEU A 25 -6.107 -8.451 5.398 1.00 0.00 C ATOM 368 O LEU A 25 -6.551 -9.534 5.017 1.00 0.00 O ATOM 369 CB LEU A 25 -4.769 -7.321 3.598 1.00 0.00 C ATOM 370 CG LEU A 25 -4.974 -6.919 2.138 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.898 -5.713 2.033 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.638 -6.636 1.478 1.00 0.00 C ATOM 0 H LEU A 25 -5.215 -5.473 5.165 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.903 -7.321 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.018 -6.667 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.369 -8.334 3.631 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.448 -7.749 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.029 -5.445 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.867 -5.958 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.461 -4.872 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.799 -6.351 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.137 -5.823 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.016 -7.530 1.517 1.00 0.00 H new ATOM 384 N ILE A 26 -5.698 -8.241 6.640 1.00 0.00 N ATOM 385 CA ILE A 26 -5.775 -9.289 7.643 1.00 0.00 C ATOM 386 C ILE A 26 -7.205 -9.397 8.157 1.00 0.00 C ATOM 387 O ILE A 26 -7.805 -10.473 8.149 1.00 0.00 O ATOM 388 CB ILE A 26 -4.827 -9.013 8.833 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.392 -8.779 8.345 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.869 -10.165 9.827 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.793 -9.962 7.614 1.00 0.00 C ATOM 0 H ILE A 26 -5.311 -7.359 6.975 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.468 -10.223 7.173 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.168 -8.108 9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.380 -7.912 7.684 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.762 -8.536 9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.196 -9.953 10.658 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.885 -10.283 10.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.557 -11.084 9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.778 -9.720 7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.771 -10.827 8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.398 -10.192 6.737 1.00 0.00 H new ATOM 403 N ASP A 27 -7.748 -8.257 8.563 1.00 0.00 N ATOM 404 CA ASP A 27 -9.103 -8.178 9.106 1.00 0.00 C ATOM 405 C ASP A 27 -10.137 -8.611 8.072 1.00 0.00 C ATOM 406 O ASP A 27 -11.027 -9.412 8.365 1.00 0.00 O ATOM 407 CB ASP A 27 -9.395 -6.744 9.558 1.00 0.00 C ATOM 408 CG ASP A 27 -10.734 -6.605 10.258 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.758 -6.417 9.567 1.00 0.00 O ATOM 410 OD2 ASP A 27 -10.759 -6.655 11.506 1.00 0.00 O ATOM 0 H ASP A 27 -7.264 -7.360 8.526 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.169 -8.854 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.604 -6.412 10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.374 -6.084 8.691 1.00 0.00 H new ATOM 415 N ARG A 28 -9.993 -8.098 6.855 1.00 0.00 N ATOM 416 CA ARG A 28 -10.937 -8.380 5.778 1.00 0.00 C ATOM 417 C ARG A 28 -10.791 -9.806 5.247 1.00 0.00 C ATOM 418 O ARG A 28 -11.654 -10.296 4.517 1.00 0.00 O ATOM 419 CB ARG A 28 -10.773 -7.367 4.642 1.00 0.00 C ATOM 420 CG ARG A 28 -11.363 -6.002 4.959 1.00 0.00 C ATOM 421 CD ARG A 28 -10.755 -4.894 4.105 1.00 0.00 C ATOM 422 NE ARG A 28 -10.834 -5.164 2.667 1.00 0.00 N ATOM 423 CZ ARG A 28 -11.831 -4.752 1.881 1.00 0.00 C ATOM 424 NH1 ARG A 28 -12.890 -4.143 2.404 1.00 0.00 N ATOM 425 NH2 ARG A 28 -11.762 -4.943 0.571 1.00 0.00 N ATOM 0 H ARG A 28 -9.226 -7.480 6.588 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.941 -8.288 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.712 -7.253 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.248 -7.760 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.441 -6.029 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.201 -5.775 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.267 -3.956 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.710 -4.759 4.386 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.079 -5.701 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.944 -3.988 3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.649 -3.830 1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.948 -5.404 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.523 -4.629 -0.031 1.00 0.00 H new ATOM 439 N GLY A 29 -9.692 -10.464 5.613 1.00 0.00 N ATOM 440 CA GLY A 29 -9.435 -11.815 5.137 1.00 0.00 C ATOM 441 C GLY A 29 -9.090 -11.821 3.667 1.00 0.00 C ATOM 442 O GLY A 29 -9.586 -12.643 2.898 1.00 0.00 O ATOM 0 H GLY A 29 -8.974 -10.085 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.616 -12.254 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.313 -12.437 5.309 1.00 0.00 H new ATOM 446 N VAL A 30 -8.229 -10.899 3.285 1.00 0.00 N ATOM 447 CA VAL A 30 -7.952 -10.629 1.897 1.00 0.00 C ATOM 448 C VAL A 30 -6.440 -10.419 1.696 1.00 0.00 C ATOM 449 O VAL A 30 -5.984 -9.441 1.109 1.00 0.00 O ATOM 450 CB VAL A 30 -8.783 -9.391 1.475 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.507 -8.210 2.387 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.528 -9.006 0.048 1.00 0.00 C ATOM 0 H VAL A 30 -7.702 -10.316 3.935 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.237 -11.471 1.266 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.833 -9.670 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.104 -7.356 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.770 -8.473 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.449 -7.952 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.130 -8.134 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.472 -8.768 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.796 -9.836 -0.606 1.00 0.00 H new ATOM 462 N ASN A 31 -5.653 -11.358 2.192 1.00 0.00 N ATOM 463 CA ASN A 31 -4.208 -11.192 2.198 1.00 0.00 C ATOM 464 C ASN A 31 -3.505 -12.424 1.635 1.00 0.00 C ATOM 465 O ASN A 31 -4.159 -13.389 1.236 1.00 0.00 O ATOM 466 CB ASN A 31 -3.738 -10.915 3.626 1.00 0.00 C ATOM 467 CG ASN A 31 -2.365 -10.277 3.689 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.601 -10.528 4.613 1.00 0.00 O ATOM 469 ND2 ASN A 31 -2.046 -9.448 2.703 1.00 0.00 N ATOM 0 H ASN A 31 -5.985 -12.236 2.592 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.951 -10.348 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.458 -10.262 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.723 -11.851 4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.134 -8.992 2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.713 -9.267 1.953 1.00 0.00 H new ATOM 476 N PHE A 32 -2.169 -12.365 1.599 1.00 0.00 N ATOM 477 CA PHE A 32 -1.314 -13.444 1.092 1.00 0.00 C ATOM 478 C PHE A 32 -1.385 -13.568 -0.427 1.00 0.00 C ATOM 479 O PHE A 32 -0.356 -13.644 -1.094 1.00 0.00 O ATOM 480 CB PHE A 32 -1.631 -14.786 1.760 1.00 0.00 C ATOM 481 CG PHE A 32 -1.238 -14.827 3.209 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.098 -14.880 3.572 1.00 0.00 C ATOM 483 CD2 PHE A 32 -2.198 -14.804 4.204 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.469 -14.910 4.902 1.00 0.00 C ATOM 485 CE2 PHE A 32 -1.833 -14.834 5.537 1.00 0.00 C ATOM 486 CZ PHE A 32 -0.499 -14.887 5.886 1.00 0.00 C ATOM 0 H PHE A 32 -1.644 -11.554 1.926 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.291 -13.173 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.699 -14.986 1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.113 -15.583 1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.859 -14.898 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.244 -14.762 3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.514 -14.951 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.592 -14.816 6.305 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.213 -14.910 6.927 1.00 0.00 H new ATOM 496 N SER A 33 -2.591 -13.583 -0.968 1.00 0.00 N ATOM 497 CA SER A 33 -2.785 -13.652 -2.405 1.00 0.00 C ATOM 498 C SER A 33 -2.230 -12.395 -3.077 1.00 0.00 C ATOM 499 O SER A 33 -2.834 -11.326 -3.001 1.00 0.00 O ATOM 500 CB SER A 33 -4.274 -13.806 -2.710 1.00 0.00 C ATOM 501 OG SER A 33 -4.839 -14.874 -1.959 1.00 0.00 O ATOM 0 H SER A 33 -3.456 -13.548 -0.429 1.00 0.00 H new ATOM 0 HA SER A 33 -2.248 -14.515 -2.799 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.795 -12.877 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.414 -13.991 -3.775 1.00 0.00 H new ATOM 0 HG SER A 33 -5.793 -14.953 -2.169 1.00 0.00 H new ATOM 507 N LEU A 34 -1.072 -12.538 -3.723 1.00 0.00 N ATOM 508 CA LEU A 34 -0.385 -11.415 -4.369 1.00 0.00 C ATOM 509 C LEU A 34 -1.284 -10.701 -5.372 1.00 0.00 C ATOM 510 O LEU A 34 -1.292 -9.474 -5.437 1.00 0.00 O ATOM 511 CB LEU A 34 0.893 -11.890 -5.074 1.00 0.00 C ATOM 512 CG LEU A 34 2.166 -11.910 -4.220 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.444 -10.532 -3.647 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.070 -12.938 -3.107 1.00 0.00 C ATOM 0 H LEU A 34 -0.585 -13.430 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.122 -10.709 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.720 -12.896 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.068 -11.247 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 34 2.996 -12.195 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.351 -10.565 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.575 -9.819 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.605 -10.221 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.989 -12.926 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.225 -12.698 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.927 -13.929 -3.538 1.00 0.00 H new ATOM 526 N ASP A 35 -2.043 -11.474 -6.141 1.00 0.00 N ATOM 527 CA ASP A 35 -2.959 -10.916 -7.137 1.00 0.00 C ATOM 528 C ASP A 35 -4.037 -10.081 -6.452 1.00 0.00 C ATOM 529 O ASP A 35 -4.481 -9.052 -6.966 1.00 0.00 O ATOM 530 CB ASP A 35 -3.600 -12.052 -7.945 1.00 0.00 C ATOM 531 CG ASP A 35 -4.552 -11.564 -9.020 1.00 0.00 C ATOM 532 OD1 ASP A 35 -5.761 -11.421 -8.731 1.00 0.00 O ATOM 533 OD2 ASP A 35 -4.101 -11.342 -10.163 1.00 0.00 O ATOM 0 H ASP A 35 -2.044 -12.493 -6.095 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.399 -10.271 -7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.813 -12.646 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.139 -12.712 -7.265 1.00 0.00 H new ATOM 538 N THR A 36 -4.422 -10.518 -5.267 1.00 0.00 N ATOM 539 CA THR A 36 -5.456 -9.850 -4.505 1.00 0.00 C ATOM 540 C THR A 36 -4.909 -8.623 -3.790 1.00 0.00 C ATOM 541 O THR A 36 -5.532 -7.564 -3.814 1.00 0.00 O ATOM 542 CB THR A 36 -6.092 -10.817 -3.495 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.616 -11.954 -4.189 1.00 0.00 O ATOM 544 CG2 THR A 36 -7.199 -10.144 -2.709 1.00 0.00 C ATOM 0 H THR A 36 -4.029 -11.341 -4.810 1.00 0.00 H new ATOM 0 HA THR A 36 -6.224 -9.519 -5.204 1.00 0.00 H new ATOM 0 HB THR A 36 -5.322 -11.132 -2.791 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.020 -12.572 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.628 -10.855 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.792 -9.292 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.974 -9.800 -3.394 1.00 0.00 H new ATOM 552 N ILE A 37 -3.737 -8.755 -3.179 1.00 0.00 N ATOM 553 CA ILE A 37 -3.085 -7.622 -2.543 1.00 0.00 C ATOM 554 C ILE A 37 -2.837 -6.541 -3.585 1.00 0.00 C ATOM 555 O ILE A 37 -2.872 -5.347 -3.290 1.00 0.00 O ATOM 556 CB ILE A 37 -1.750 -8.037 -1.890 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.980 -9.185 -0.907 1.00 0.00 C ATOM 558 CG2 ILE A 37 -1.107 -6.852 -1.182 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.704 -9.777 -0.358 1.00 0.00 C ATOM 0 H ILE A 37 -3.222 -9.633 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.737 -7.242 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.071 -8.376 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.590 -8.825 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.550 -9.970 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.167 -7.166 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.915 -6.058 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.779 -6.483 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.945 -10.586 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.102 -10.168 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.142 -9.006 0.169 1.00 0.00 H new ATOM 571 N GLU A 38 -2.608 -6.988 -4.813 1.00 0.00 N ATOM 572 CA GLU A 38 -2.441 -6.097 -5.942 1.00 0.00 C ATOM 573 C GLU A 38 -3.700 -5.267 -6.168 1.00 0.00 C ATOM 574 O GLU A 38 -3.651 -4.037 -6.171 1.00 0.00 O ATOM 575 CB GLU A 38 -2.096 -6.908 -7.193 1.00 0.00 C ATOM 576 CG GLU A 38 -1.813 -6.066 -8.420 1.00 0.00 C ATOM 577 CD GLU A 38 -1.384 -6.906 -9.602 1.00 0.00 C ATOM 578 OE1 GLU A 38 -0.199 -7.298 -9.658 1.00 0.00 O ATOM 579 OE2 GLU A 38 -2.225 -7.183 -10.477 1.00 0.00 O ATOM 0 H GLU A 38 -2.534 -7.978 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.622 -5.409 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.224 -7.527 -6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.922 -7.585 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.706 -5.500 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.032 -5.341 -8.189 1.00 0.00 H new ATOM 586 N LYS A 39 -4.835 -5.942 -6.323 1.00 0.00 N ATOM 587 CA LYS A 39 -6.096 -5.257 -6.576 1.00 0.00 C ATOM 588 C LYS A 39 -6.533 -4.436 -5.362 1.00 0.00 C ATOM 589 O LYS A 39 -7.106 -3.357 -5.506 1.00 0.00 O ATOM 590 CB LYS A 39 -7.188 -6.258 -6.960 1.00 0.00 C ATOM 591 CG LYS A 39 -8.508 -5.598 -7.326 1.00 0.00 C ATOM 592 CD LYS A 39 -8.353 -4.663 -8.517 1.00 0.00 C ATOM 593 CE LYS A 39 -9.621 -3.860 -8.765 1.00 0.00 C ATOM 594 NZ LYS A 39 -10.784 -4.729 -9.088 1.00 0.00 N ATOM 0 H LYS A 39 -4.907 -6.958 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.940 -4.573 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.843 -6.856 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.351 -6.944 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.247 -6.365 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.886 -5.039 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.519 -3.983 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.109 -5.243 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.850 -3.264 -7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.452 -3.162 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.603 -4.136 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.547 -5.341 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.016 -5.319 -8.263 1.00 0.00 H new ATOM 608 N GLU A 40 -6.255 -4.943 -4.170 1.00 0.00 N ATOM 609 CA GLU A 40 -6.621 -4.246 -2.943 1.00 0.00 C ATOM 610 C GLU A 40 -5.777 -2.996 -2.748 1.00 0.00 C ATOM 611 O GLU A 40 -6.265 -1.997 -2.226 1.00 0.00 O ATOM 612 CB GLU A 40 -6.498 -5.166 -1.730 1.00 0.00 C ATOM 613 CG GLU A 40 -7.542 -6.270 -1.696 1.00 0.00 C ATOM 614 CD GLU A 40 -8.957 -5.745 -1.532 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.319 -5.347 -0.406 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.717 -5.740 -2.524 1.00 0.00 O ATOM 0 H GLU A 40 -5.778 -5.833 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.663 -3.942 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.505 -5.616 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.582 -4.569 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.480 -6.849 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.316 -6.951 -0.875 1.00 0.00 H new ATOM 623 N LEU A 41 -4.514 -3.045 -3.161 1.00 0.00 N ATOM 624 CA LEU A 41 -3.684 -1.847 -3.171 1.00 0.00 C ATOM 625 C LEU A 41 -4.299 -0.810 -4.096 1.00 0.00 C ATOM 626 O LEU A 41 -4.356 0.375 -3.773 1.00 0.00 O ATOM 627 CB LEU A 41 -2.250 -2.165 -3.607 1.00 0.00 C ATOM 628 CG LEU A 41 -1.279 -2.490 -2.470 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.081 -2.881 -3.022 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.143 -1.297 -1.537 1.00 0.00 C ATOM 0 H LEU A 41 -4.048 -3.891 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.640 -1.450 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.276 -3.011 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.860 -1.313 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.679 -3.334 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.757 -3.108 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.024 -3.760 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.487 -2.056 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.449 -1.541 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.765 -0.440 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.118 -1.053 -1.114 1.00 0.00 H new ATOM 642 N ILE A 42 -4.779 -1.282 -5.237 1.00 0.00 N ATOM 643 CA ILE A 42 -5.481 -0.440 -6.194 1.00 0.00 C ATOM 644 C ILE A 42 -6.721 0.185 -5.557 1.00 0.00 C ATOM 645 O ILE A 42 -6.934 1.397 -5.648 1.00 0.00 O ATOM 646 CB ILE A 42 -5.889 -1.254 -7.442 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.641 -1.768 -8.165 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.751 -0.421 -8.380 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.944 -2.724 -9.299 1.00 0.00 C ATOM 0 H ILE A 42 -4.693 -2.257 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.802 0.357 -6.499 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.483 -2.109 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.084 -0.918 -8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.994 -2.267 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.024 -1.018 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.655 -0.105 -7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.193 0.457 -8.704 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.012 -3.045 -9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.474 -3.593 -8.910 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.565 -2.223 -10.041 1.00 0.00 H new ATOM 661 N SER A 43 -7.516 -0.646 -4.898 1.00 0.00 N ATOM 662 CA SER A 43 -8.734 -0.192 -4.242 1.00 0.00 C ATOM 663 C SER A 43 -8.413 0.787 -3.115 1.00 0.00 C ATOM 664 O SER A 43 -8.990 1.872 -3.035 1.00 0.00 O ATOM 665 CB SER A 43 -9.509 -1.395 -3.693 1.00 0.00 C ATOM 666 OG SER A 43 -10.792 -1.013 -3.226 1.00 0.00 O ATOM 0 H SER A 43 -7.337 -1.646 -4.803 1.00 0.00 H new ATOM 0 HA SER A 43 -9.350 0.326 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.613 -2.149 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.945 -1.853 -2.880 1.00 0.00 H new ATOM 0 HG SER A 43 -11.263 -1.801 -2.884 1.00 0.00 H new ATOM 672 N PHE A 44 -7.466 0.409 -2.264 1.00 0.00 N ATOM 673 CA PHE A 44 -7.105 1.207 -1.099 1.00 0.00 C ATOM 674 C PHE A 44 -6.527 2.549 -1.536 1.00 0.00 C ATOM 675 O PHE A 44 -6.742 3.569 -0.889 1.00 0.00 O ATOM 676 CB PHE A 44 -6.095 0.443 -0.242 1.00 0.00 C ATOM 677 CG PHE A 44 -6.079 0.849 1.206 1.00 0.00 C ATOM 678 CD1 PHE A 44 -6.995 0.309 2.096 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.143 1.752 1.681 1.00 0.00 C ATOM 680 CE1 PHE A 44 -6.978 0.664 3.430 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.123 2.113 3.015 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.041 1.568 3.890 1.00 0.00 C ATOM 0 H PHE A 44 -6.930 -0.453 -2.361 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.000 1.396 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.315 -0.623 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.099 0.589 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.731 -0.398 1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.420 2.179 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.697 0.235 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.390 2.821 3.372 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.026 1.848 4.933 1.00 0.00 H new ATOM 692 N CYS A 45 -5.808 2.533 -2.652 1.00 0.00 N ATOM 693 CA CYS A 45 -5.242 3.743 -3.241 1.00 0.00 C ATOM 694 C CYS A 45 -6.326 4.746 -3.614 1.00 0.00 C ATOM 695 O CYS A 45 -6.115 5.954 -3.554 1.00 0.00 O ATOM 696 CB CYS A 45 -4.425 3.378 -4.482 1.00 0.00 C ATOM 697 SG CYS A 45 -4.270 4.712 -5.717 1.00 0.00 S ATOM 0 H CYS A 45 -5.600 1.682 -3.175 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.597 4.210 -2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.426 3.077 -4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.883 2.512 -4.959 1.00 0.00 H new ATOM 702 N LEU A 46 -7.479 4.240 -4.014 1.00 0.00 N ATOM 703 CA LEU A 46 -8.586 5.092 -4.410 1.00 0.00 C ATOM 704 C LEU A 46 -9.424 5.481 -3.190 1.00 0.00 C ATOM 705 O LEU A 46 -9.862 6.624 -3.061 1.00 0.00 O ATOM 706 CB LEU A 46 -9.427 4.363 -5.469 1.00 0.00 C ATOM 707 CG LEU A 46 -10.482 5.194 -6.221 1.00 0.00 C ATOM 708 CD1 LEU A 46 -11.716 5.441 -5.366 1.00 0.00 C ATOM 709 CD2 LEU A 46 -9.886 6.514 -6.691 1.00 0.00 C ATOM 0 H LEU A 46 -7.673 3.240 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.205 6.016 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.747 3.934 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.936 3.531 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.794 4.619 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.438 6.031 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.164 4.487 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.431 5.983 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.646 7.088 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.536 7.083 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.048 6.317 -7.360 1.00 0.00 H new ATOM 721 N ASP A 47 -9.615 4.527 -2.286 1.00 0.00 N ATOM 722 CA ASP A 47 -10.501 4.717 -1.136 1.00 0.00 C ATOM 723 C ASP A 47 -9.868 5.610 -0.069 1.00 0.00 C ATOM 724 O ASP A 47 -10.557 6.112 0.821 1.00 0.00 O ATOM 725 CB ASP A 47 -10.875 3.363 -0.528 1.00 0.00 C ATOM 726 CG ASP A 47 -12.013 3.469 0.468 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.180 3.568 0.028 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.755 3.452 1.689 1.00 0.00 O ATOM 0 H ASP A 47 -9.168 3.611 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.401 5.216 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.157 2.676 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.002 2.937 -0.034 1.00 0.00 H new ATOM 733 N THR A 48 -8.563 5.810 -0.156 1.00 0.00 N ATOM 734 CA THR A 48 -7.859 6.663 0.792 1.00 0.00 C ATOM 735 C THR A 48 -8.165 8.138 0.550 1.00 0.00 C ATOM 736 O THR A 48 -9.042 8.480 -0.248 1.00 0.00 O ATOM 737 CB THR A 48 -6.341 6.434 0.717 1.00 0.00 C ATOM 738 OG1 THR A 48 -5.966 6.055 -0.613 1.00 0.00 O ATOM 739 CG2 THR A 48 -5.910 5.360 1.705 1.00 0.00 C ATOM 0 H THR A 48 -7.968 5.394 -0.873 1.00 0.00 H new ATOM 0 HA THR A 48 -8.211 6.394 1.788 1.00 0.00 H new ATOM 0 HB THR A 48 -5.839 7.366 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.946 5.078 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.832 5.213 1.636 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.170 5.671 2.717 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.419 4.425 1.471 1.00 0.00 H new ATOM 747 N LYS A 49 -7.443 9.011 1.233 1.00 0.00 N ATOM 748 CA LYS A 49 -7.653 10.441 1.089 1.00 0.00 C ATOM 749 C LYS A 49 -6.716 11.001 0.039 1.00 0.00 C ATOM 750 O LYS A 49 -5.747 10.345 -0.323 1.00 0.00 O ATOM 751 CB LYS A 49 -7.430 11.145 2.429 1.00 0.00 C ATOM 752 CG LYS A 49 -8.127 10.463 3.595 1.00 0.00 C ATOM 753 CD LYS A 49 -9.640 10.571 3.492 1.00 0.00 C ATOM 754 CE LYS A 49 -10.329 9.736 4.561 1.00 0.00 C ATOM 755 NZ LYS A 49 -9.799 10.020 5.922 1.00 0.00 N ATOM 0 H LYS A 49 -6.708 8.755 1.892 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.681 10.616 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.360 11.192 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.785 12.173 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.839 9.412 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.794 10.912 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.940 11.614 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.964 10.241 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.400 9.935 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.197 8.678 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.441 9.619 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.857 9.591 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.728 11.048 6.059 1.00 0.00 H new ATOM 769 N GLY A 50 -7.004 12.212 -0.431 1.00 0.00 N ATOM 770 CA GLY A 50 -6.287 12.784 -1.563 1.00 0.00 C ATOM 771 C GLY A 50 -4.778 12.666 -1.464 1.00 0.00 C ATOM 772 O GLY A 50 -4.112 12.354 -2.453 1.00 0.00 O ATOM 0 H GLY A 50 -7.730 12.815 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.620 12.292 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.553 13.837 -1.653 1.00 0.00 H new ATOM 776 N LYS A 51 -4.241 12.899 -0.275 1.00 0.00 N ATOM 777 CA LYS A 51 -2.805 12.810 -0.052 1.00 0.00 C ATOM 778 C LYS A 51 -2.303 11.396 -0.343 1.00 0.00 C ATOM 779 O LYS A 51 -1.279 11.205 -0.997 1.00 0.00 O ATOM 780 CB LYS A 51 -2.477 13.189 1.392 1.00 0.00 C ATOM 781 CG LYS A 51 -1.126 13.860 1.549 1.00 0.00 C ATOM 782 CD LYS A 51 -1.032 15.161 0.759 1.00 0.00 C ATOM 783 CE LYS A 51 -1.723 16.327 1.462 1.00 0.00 C ATOM 784 NZ LYS A 51 -3.205 16.195 1.484 1.00 0.00 N ATOM 0 H LYS A 51 -4.780 13.152 0.553 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.306 13.504 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.252 13.857 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.502 12.291 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.944 14.064 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.343 13.178 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.017 15.409 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.480 15.018 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.355 16.397 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.454 17.257 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.635 17.134 1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.529 15.775 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.487 15.583 2.276 1.00 0.00 H new ATOM 798 N GLU A 52 -3.057 10.415 0.122 1.00 0.00 N ATOM 799 CA GLU A 52 -2.703 9.014 -0.051 1.00 0.00 C ATOM 800 C GLU A 52 -3.059 8.552 -1.459 1.00 0.00 C ATOM 801 O GLU A 52 -2.404 7.681 -2.028 1.00 0.00 O ATOM 802 CB GLU A 52 -3.447 8.174 0.978 1.00 0.00 C ATOM 803 CG GLU A 52 -3.316 8.704 2.394 1.00 0.00 C ATOM 804 CD GLU A 52 -4.356 8.125 3.326 1.00 0.00 C ATOM 805 OE1 GLU A 52 -5.561 8.358 3.092 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.980 7.454 4.305 1.00 0.00 O ATOM 0 H GLU A 52 -3.929 10.565 0.629 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.629 8.894 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.502 8.133 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.070 7.152 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.321 8.472 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.407 9.790 2.382 1.00 0.00 H new ATOM 813 N ASN A 53 -4.100 9.153 -2.026 1.00 0.00 N ATOM 814 CA ASN A 53 -4.486 8.873 -3.403 1.00 0.00 C ATOM 815 C ASN A 53 -3.362 9.310 -4.344 1.00 0.00 C ATOM 816 O ASN A 53 -3.311 8.906 -5.503 1.00 0.00 O ATOM 817 CB ASN A 53 -5.793 9.592 -3.792 1.00 0.00 C ATOM 818 CG ASN A 53 -6.970 9.320 -2.876 1.00 0.00 C ATOM 819 OD1 ASN A 53 -7.834 10.179 -2.703 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.044 8.133 -2.312 1.00 0.00 N ATOM 0 H ASN A 53 -4.691 9.837 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.659 7.800 -3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.607 10.666 -3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.065 9.297 -4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.835 7.903 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.310 7.444 -2.476 1.00 0.00 H new ATOM 827 N ARG A 54 -2.483 10.174 -3.837 1.00 0.00 N ATOM 828 CA ARG A 54 -1.272 10.564 -4.552 1.00 0.00 C ATOM 829 C ARG A 54 -0.140 9.586 -4.274 1.00 0.00 C ATOM 830 O ARG A 54 0.550 9.140 -5.190 1.00 0.00 O ATOM 831 CB ARG A 54 -0.833 11.972 -4.147 1.00 0.00 C ATOM 832 CG ARG A 54 -1.821 13.048 -4.537 1.00 0.00 C ATOM 833 CD ARG A 54 -2.009 13.095 -6.043 1.00 0.00 C ATOM 834 NE ARG A 54 -2.943 14.136 -6.457 1.00 0.00 N ATOM 835 CZ ARG A 54 -3.352 14.307 -7.710 1.00 0.00 C ATOM 836 NH1 ARG A 54 -2.835 13.569 -8.685 1.00 0.00 N ATOM 837 NH2 ARG A 54 -4.246 15.242 -7.996 1.00 0.00 N ATOM 0 H ARG A 54 -2.590 10.619 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.501 10.552 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.684 12.001 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.130 12.190 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.779 12.859 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.469 14.016 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.044 13.266 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.371 12.127 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.303 14.770 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.123 12.870 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.150 13.701 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.622 15.832 -7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.558 15.372 -8.958 1.00 0.00 H new ATOM 851 N LEU A 55 0.040 9.250 -3.001 1.00 0.00 N ATOM 852 CA LEU A 55 1.157 8.413 -2.575 1.00 0.00 C ATOM 853 C LEU A 55 1.094 7.026 -3.200 1.00 0.00 C ATOM 854 O LEU A 55 2.117 6.373 -3.378 1.00 0.00 O ATOM 855 CB LEU A 55 1.225 8.358 -1.036 1.00 0.00 C ATOM 856 CG LEU A 55 1.170 6.983 -0.363 1.00 0.00 C ATOM 857 CD1 LEU A 55 1.508 7.145 1.098 1.00 0.00 C ATOM 858 CD2 LEU A 55 -0.212 6.386 -0.494 1.00 0.00 C ATOM 0 H LEU A 55 -0.576 9.546 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 55 2.082 8.865 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.149 8.845 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.402 8.955 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 55 1.885 6.317 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.472 6.173 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.509 7.565 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.787 7.815 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.234 5.409 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.939 7.043 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.462 6.274 -1.549 1.00 0.00 H new ATOM 870 N CYS A 56 -0.102 6.591 -3.567 1.00 0.00 N ATOM 871 CA CYS A 56 -0.274 5.265 -4.129 1.00 0.00 C ATOM 872 C CYS A 56 0.276 5.191 -5.550 1.00 0.00 C ATOM 873 O CYS A 56 0.486 4.104 -6.080 1.00 0.00 O ATOM 874 CB CYS A 56 -1.742 4.846 -4.079 1.00 0.00 C ATOM 875 SG CYS A 56 -2.879 5.965 -4.944 1.00 0.00 S ATOM 0 H CYS A 56 -0.961 7.135 -3.486 1.00 0.00 H new ATOM 0 HA CYS A 56 0.298 4.563 -3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.836 3.849 -4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.050 4.772 -3.036 1.00 0.00 H new ATOM 880 N TYR A 57 0.530 6.347 -6.158 1.00 0.00 N ATOM 881 CA TYR A 57 1.230 6.384 -7.436 1.00 0.00 C ATOM 882 C TYR A 57 2.701 6.055 -7.223 1.00 0.00 C ATOM 883 O TYR A 57 3.342 5.430 -8.066 1.00 0.00 O ATOM 884 CB TYR A 57 1.099 7.756 -8.103 1.00 0.00 C ATOM 885 CG TYR A 57 -0.260 8.021 -8.707 1.00 0.00 C ATOM 886 CD1 TYR A 57 -0.565 7.582 -9.990 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.234 8.713 -8.002 1.00 0.00 C ATOM 888 CE1 TYR A 57 -1.802 7.824 -10.551 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.475 8.960 -8.557 1.00 0.00 C ATOM 890 CZ TYR A 57 -2.753 8.513 -9.831 1.00 0.00 C ATOM 891 OH TYR A 57 -3.989 8.755 -10.388 1.00 0.00 O ATOM 0 H TYR A 57 0.264 7.261 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 57 0.776 5.643 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.314 8.529 -7.365 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.855 7.842 -8.884 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.179 7.042 -10.557 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.019 9.064 -7.004 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.023 7.475 -11.549 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.223 9.500 -7.996 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.544 9.251 -9.750 1.00 0.00 H new ATOM 901 N TYR A 58 3.225 6.470 -6.079 1.00 0.00 N ATOM 902 CA TYR A 58 4.620 6.224 -5.744 1.00 0.00 C ATOM 903 C TYR A 58 4.782 4.850 -5.103 1.00 0.00 C ATOM 904 O TYR A 58 5.827 4.216 -5.226 1.00 0.00 O ATOM 905 CB TYR A 58 5.146 7.315 -4.807 1.00 0.00 C ATOM 906 CG TYR A 58 4.963 8.720 -5.342 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.700 9.172 -6.428 1.00 0.00 C ATOM 908 CD2 TYR A 58 4.052 9.596 -4.759 1.00 0.00 C ATOM 909 CE1 TYR A 58 5.538 10.453 -6.920 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.882 10.878 -5.247 1.00 0.00 C ATOM 911 CZ TYR A 58 4.627 11.302 -6.328 1.00 0.00 C ATOM 912 OH TYR A 58 4.469 12.581 -6.816 1.00 0.00 O ATOM 0 H TYR A 58 2.704 6.980 -5.366 1.00 0.00 H new ATOM 0 HA TYR A 58 5.204 6.247 -6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.637 7.233 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.206 7.142 -4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.413 8.510 -6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.468 9.269 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.122 10.788 -7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.169 11.545 -4.784 1.00 0.00 H new ATOM 0 HH TYR A 58 4.777 13.227 -6.146 1.00 0.00 H new ATOM 922 N LEU A 59 3.732 4.396 -4.422 1.00 0.00 N ATOM 923 CA LEU A 59 3.722 3.072 -3.797 1.00 0.00 C ATOM 924 C LEU A 59 3.416 1.986 -4.828 1.00 0.00 C ATOM 925 O LEU A 59 3.459 0.795 -4.522 1.00 0.00 O ATOM 926 CB LEU A 59 2.698 3.022 -2.646 1.00 0.00 C ATOM 927 CG LEU A 59 3.247 3.383 -1.254 1.00 0.00 C ATOM 928 CD1 LEU A 59 3.955 4.718 -1.274 1.00 0.00 C ATOM 929 CD2 LEU A 59 2.138 3.392 -0.212 1.00 0.00 C ATOM 0 H LEU A 59 2.872 4.928 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 59 4.714 2.885 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.879 3.702 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.276 2.018 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 59 3.971 2.615 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.331 4.945 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.788 4.678 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.257 5.496 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.555 3.650 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.383 4.128 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.680 2.404 -0.160 1.00 0.00 H new ATOM 941 N GLY A 60 3.094 2.407 -6.047 1.00 0.00 N ATOM 942 CA GLY A 60 2.865 1.465 -7.128 1.00 0.00 C ATOM 943 C GLY A 60 1.453 0.917 -7.154 1.00 0.00 C ATOM 944 O GLY A 60 1.098 0.145 -8.040 1.00 0.00 O ATOM 0 H GLY A 60 2.987 3.388 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.075 1.955 -8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.567 0.637 -7.034 1.00 0.00 H new ATOM 948 N ALA A 61 0.636 1.344 -6.202 1.00 0.00 N ATOM 949 CA ALA A 61 -0.732 0.852 -6.073 1.00 0.00 C ATOM 950 C ALA A 61 -1.671 1.543 -7.063 1.00 0.00 C ATOM 951 O ALA A 61 -2.797 1.911 -6.723 1.00 0.00 O ATOM 952 CB ALA A 61 -1.215 1.053 -4.647 1.00 0.00 C ATOM 0 H ALA A 61 0.898 2.037 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.738 -0.212 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.237 0.685 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.568 0.504 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.188 2.114 -4.400 1.00 0.00 H new ATOM 958 N THR A 62 -1.201 1.706 -8.287 1.00 0.00 N ATOM 959 CA THR A 62 -1.971 2.359 -9.328 1.00 0.00 C ATOM 960 C THR A 62 -1.695 1.727 -10.685 1.00 0.00 C ATOM 961 O THR A 62 -0.544 1.503 -11.059 1.00 0.00 O ATOM 962 CB THR A 62 -1.653 3.865 -9.398 1.00 0.00 C ATOM 963 OG1 THR A 62 -0.331 4.107 -8.908 1.00 0.00 O ATOM 964 CG2 THR A 62 -2.658 4.679 -8.601 1.00 0.00 C ATOM 0 H THR A 62 -0.278 1.390 -8.586 1.00 0.00 H new ATOM 0 HA THR A 62 -3.024 2.231 -9.077 1.00 0.00 H new ATOM 0 HB THR A 62 -1.717 4.176 -10.441 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.326 4.034 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.406 5.737 -8.670 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.658 4.517 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.632 4.368 -7.557 1.00 0.00 H new ATOM 972 N LYS A 63 -2.764 1.451 -11.420 1.00 0.00 N ATOM 973 CA LYS A 63 -2.663 0.881 -12.757 1.00 0.00 C ATOM 974 C LYS A 63 -2.174 1.926 -13.754 1.00 0.00 C ATOM 975 O LYS A 63 -1.896 1.621 -14.912 1.00 0.00 O ATOM 976 CB LYS A 63 -4.024 0.336 -13.189 1.00 0.00 C ATOM 977 CG LYS A 63 -4.460 -0.892 -12.408 1.00 0.00 C ATOM 978 CD LYS A 63 -5.897 -1.268 -12.723 1.00 0.00 C ATOM 979 CE LYS A 63 -6.860 -0.184 -12.270 1.00 0.00 C ATOM 980 NZ LYS A 63 -8.270 -0.503 -12.616 1.00 0.00 N ATOM 0 H LYS A 63 -3.721 1.615 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.940 0.066 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.774 1.118 -13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.987 0.088 -14.250 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.803 -1.729 -12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.358 -0.701 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.007 -1.431 -13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.146 -2.208 -12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.774 -0.052 -11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.580 0.763 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.890 0.264 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.360 -0.604 -13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.548 -1.393 -12.156 1.00 0.00 H new ATOM 994 N ASP A 64 -2.085 3.165 -13.291 1.00 0.00 N ATOM 995 CA ASP A 64 -1.583 4.262 -14.106 1.00 0.00 C ATOM 996 C ASP A 64 -0.073 4.401 -13.933 1.00 0.00 C ATOM 997 O ASP A 64 0.609 5.000 -14.764 1.00 0.00 O ATOM 998 CB ASP A 64 -2.279 5.566 -13.706 1.00 0.00 C ATOM 999 CG ASP A 64 -1.901 6.736 -14.594 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -2.430 6.824 -15.723 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -1.090 7.584 -14.163 1.00 0.00 O ATOM 0 H ASP A 64 -2.357 3.437 -12.346 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.796 4.050 -15.154 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.359 5.422 -13.745 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.026 5.804 -12.673 1.00 0.00 H new ATOM 1006 N ALA A 65 0.442 3.822 -12.856 1.00 0.00 N ATOM 1007 CA ALA A 65 1.852 3.953 -12.519 1.00 0.00 C ATOM 1008 C ALA A 65 2.634 2.702 -12.904 1.00 0.00 C ATOM 1009 O ALA A 65 2.187 1.908 -13.738 1.00 0.00 O ATOM 1010 CB ALA A 65 2.008 4.245 -11.035 1.00 0.00 C ATOM 0 H ALA A 65 -0.097 3.256 -12.200 1.00 0.00 H new ATOM 0 HA ALA A 65 2.262 4.786 -13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.066 4.341 -10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.494 5.175 -10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.576 3.429 -10.456 1.00 0.00 H new ATOM 1016 N ALA A 66 3.807 2.541 -12.305 1.00 0.00 N ATOM 1017 CA ALA A 66 4.676 1.412 -12.595 1.00 0.00 C ATOM 1018 C ALA A 66 4.243 0.172 -11.819 1.00 0.00 C ATOM 1019 O ALA A 66 3.996 0.231 -10.614 1.00 0.00 O ATOM 1020 CB ALA A 66 6.115 1.773 -12.275 1.00 0.00 C ATOM 0 H ALA A 66 4.180 3.186 -11.609 1.00 0.00 H new ATOM 0 HA ALA A 66 4.599 1.179 -13.657 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.761 0.923 -12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.420 2.626 -12.881 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.200 2.030 -11.219 1.00 0.00 H new ATOM 1026 N THR A 67 4.160 -0.946 -12.520 1.00 0.00 N ATOM 1027 CA THR A 67 3.665 -2.191 -11.947 1.00 0.00 C ATOM 1028 C THR A 67 4.751 -2.982 -11.227 1.00 0.00 C ATOM 1029 O THR A 67 4.455 -3.868 -10.423 1.00 0.00 O ATOM 1030 CB THR A 67 3.061 -3.080 -13.041 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.837 -2.968 -14.243 1.00 0.00 O ATOM 1032 CG2 THR A 67 1.614 -2.699 -13.317 1.00 0.00 C ATOM 0 H THR A 67 4.433 -1.019 -13.500 1.00 0.00 H new ATOM 0 HA THR A 67 2.907 -1.910 -11.216 1.00 0.00 H new ATOM 0 HB THR A 67 3.080 -4.113 -12.693 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.448 -3.539 -14.938 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.210 -3.345 -14.097 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.026 -2.818 -12.407 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.567 -1.661 -13.646 1.00 0.00 H new ATOM 1040 N LYS A 68 6.003 -2.674 -11.511 1.00 0.00 N ATOM 1041 CA LYS A 68 7.100 -3.468 -10.982 1.00 0.00 C ATOM 1042 C LYS A 68 7.379 -3.130 -9.522 1.00 0.00 C ATOM 1043 O LYS A 68 7.934 -3.943 -8.784 1.00 0.00 O ATOM 1044 CB LYS A 68 8.354 -3.285 -11.828 1.00 0.00 C ATOM 1045 CG LYS A 68 8.151 -3.613 -13.298 1.00 0.00 C ATOM 1046 CD LYS A 68 9.465 -3.583 -14.059 1.00 0.00 C ATOM 1047 CE LYS A 68 9.273 -3.953 -15.520 1.00 0.00 C ATOM 1048 NZ LYS A 68 8.592 -5.264 -15.677 1.00 0.00 N ATOM 0 H LYS A 68 6.285 -1.889 -12.098 1.00 0.00 H new ATOM 0 HA LYS A 68 6.803 -4.516 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.695 -2.254 -11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.146 -3.918 -11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.696 -4.599 -13.393 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.457 -2.898 -13.739 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.904 -2.588 -13.990 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.170 -4.275 -13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.688 -3.179 -16.016 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.243 -3.987 -16.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.704 -5.599 -16.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.014 -5.955 -15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.580 -5.158 -15.462 1.00 0.00 H new ATOM 1062 N ILE A 69 7.003 -1.930 -9.106 1.00 0.00 N ATOM 1063 CA ILE A 69 7.086 -1.565 -7.702 1.00 0.00 C ATOM 1064 C ILE A 69 5.826 -2.037 -6.972 1.00 0.00 C ATOM 1065 O ILE A 69 5.840 -2.284 -5.766 1.00 0.00 O ATOM 1066 CB ILE A 69 7.297 -0.042 -7.512 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.474 0.296 -6.028 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.140 0.747 -8.113 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.841 1.742 -5.771 1.00 0.00 C ATOM 0 H ILE A 69 6.640 -1.198 -9.716 1.00 0.00 H new ATOM 0 HA ILE A 69 7.957 -2.061 -7.273 1.00 0.00 H new ATOM 0 HB ILE A 69 8.207 0.244 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.549 0.066 -5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.249 -0.346 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.312 1.813 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.069 0.534 -9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.210 0.459 -7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.949 1.905 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.782 1.973 -6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.056 2.391 -6.159 1.00 0.00 H new ATOM 1081 N LEU A 70 4.747 -2.205 -7.733 1.00 0.00 N ATOM 1082 CA LEU A 70 3.500 -2.743 -7.202 1.00 0.00 C ATOM 1083 C LEU A 70 3.712 -4.172 -6.713 1.00 0.00 C ATOM 1084 O LEU A 70 3.244 -4.554 -5.637 1.00 0.00 O ATOM 1085 CB LEU A 70 2.415 -2.700 -8.281 1.00 0.00 C ATOM 1086 CG LEU A 70 1.071 -3.326 -7.904 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.517 -2.704 -6.632 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.086 -3.161 -9.046 1.00 0.00 C ATOM 0 H LEU A 70 4.713 -1.974 -8.726 1.00 0.00 H new ATOM 0 HA LEU A 70 3.178 -2.134 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.244 -1.659 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.793 -3.206 -9.169 1.00 0.00 H new ATOM 0 HG LEU A 70 1.226 -4.389 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.439 -3.167 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.218 -2.864 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.374 -1.634 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.869 -3.609 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.057 -2.100 -9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.475 -3.655 -9.936 1.00 0.00 H new ATOM 1100 N SER A 71 4.444 -4.952 -7.499 1.00 0.00 N ATOM 1101 CA SER A 71 4.763 -6.321 -7.129 1.00 0.00 C ATOM 1102 C SER A 71 5.724 -6.354 -5.954 1.00 0.00 C ATOM 1103 O SER A 71 5.878 -7.380 -5.309 1.00 0.00 O ATOM 1104 CB SER A 71 5.345 -7.069 -8.327 1.00 0.00 C ATOM 1105 OG SER A 71 6.380 -6.321 -8.945 1.00 0.00 O ATOM 0 H SER A 71 4.827 -4.657 -8.397 1.00 0.00 H new ATOM 0 HA SER A 71 3.843 -6.819 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.734 -8.034 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.556 -7.271 -9.052 1.00 0.00 H new ATOM 0 HG SER A 71 6.651 -5.588 -8.354 1.00 0.00 H new ATOM 1111 N GLU A 72 6.354 -5.228 -5.662 1.00 0.00 N ATOM 1112 CA GLU A 72 7.243 -5.158 -4.524 1.00 0.00 C ATOM 1113 C GLU A 72 6.452 -5.034 -3.232 1.00 0.00 C ATOM 1114 O GLU A 72 6.565 -5.885 -2.361 1.00 0.00 O ATOM 1115 CB GLU A 72 8.224 -3.995 -4.662 1.00 0.00 C ATOM 1116 CG GLU A 72 9.394 -4.305 -5.577 1.00 0.00 C ATOM 1117 CD GLU A 72 10.183 -5.506 -5.098 1.00 0.00 C ATOM 1118 OE1 GLU A 72 10.762 -5.441 -3.991 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.212 -6.529 -5.807 1.00 0.00 O ATOM 0 H GLU A 72 6.265 -4.361 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 72 7.818 -6.084 -4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.693 -3.124 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.603 -3.729 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.026 -4.491 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.051 -3.437 -5.632 1.00 0.00 H new ATOM 1126 N VAL A 73 5.607 -4.013 -3.137 1.00 0.00 N ATOM 1127 CA VAL A 73 4.885 -3.726 -1.896 1.00 0.00 C ATOM 1128 C VAL A 73 3.877 -4.835 -1.554 1.00 0.00 C ATOM 1129 O VAL A 73 3.672 -5.171 -0.377 1.00 0.00 O ATOM 1130 CB VAL A 73 4.171 -2.351 -1.967 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.513 -2.006 -0.640 1.00 0.00 C ATOM 1132 CG2 VAL A 73 5.158 -1.268 -2.373 1.00 0.00 C ATOM 0 H VAL A 73 5.403 -3.369 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 73 5.626 -3.689 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 73 3.387 -2.412 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.020 -1.037 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.775 -2.769 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.271 -1.965 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.645 -0.307 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.962 -1.215 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.575 -1.504 -3.352 1.00 0.00 H new ATOM 1142 N THR A 74 3.286 -5.433 -2.585 1.00 0.00 N ATOM 1143 CA THR A 74 2.307 -6.503 -2.398 1.00 0.00 C ATOM 1144 C THR A 74 2.880 -7.677 -1.599 1.00 0.00 C ATOM 1145 O THR A 74 2.141 -8.382 -0.913 1.00 0.00 O ATOM 1146 CB THR A 74 1.780 -7.018 -3.753 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.861 -7.164 -4.678 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.742 -6.074 -4.332 1.00 0.00 C ATOM 0 H THR A 74 3.467 -5.195 -3.560 1.00 0.00 H new ATOM 0 HA THR A 74 1.484 -6.070 -1.830 1.00 0.00 H new ATOM 0 HB THR A 74 1.311 -7.987 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.104 -6.286 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.389 -6.463 -5.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.098 -5.989 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.188 -5.091 -4.483 1.00 0.00 H new ATOM 1156 N ARG A 75 4.195 -7.877 -1.668 1.00 0.00 N ATOM 1157 CA ARG A 75 4.812 -9.001 -0.974 1.00 0.00 C ATOM 1158 C ARG A 75 4.890 -8.782 0.546 1.00 0.00 C ATOM 1159 O ARG A 75 4.419 -9.628 1.302 1.00 0.00 O ATOM 1160 CB ARG A 75 6.189 -9.341 -1.554 1.00 0.00 C ATOM 1161 CG ARG A 75 6.150 -10.487 -2.554 1.00 0.00 C ATOM 1162 CD ARG A 75 6.202 -10.003 -3.997 1.00 0.00 C ATOM 1163 NE ARG A 75 7.514 -9.459 -4.341 1.00 0.00 N ATOM 1164 CZ ARG A 75 8.319 -9.979 -5.265 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.969 -11.087 -5.913 1.00 0.00 N ATOM 1166 NH2 ARG A 75 9.479 -9.391 -5.531 1.00 0.00 N ATOM 0 H ARG A 75 4.843 -7.285 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 75 4.160 -9.858 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.600 -8.456 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.865 -9.600 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.990 -11.156 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.240 -11.068 -2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.965 -10.830 -4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.440 -9.239 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 75 7.833 -8.629 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.081 -11.542 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.589 -11.482 -6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.749 -8.546 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.100 -9.785 -6.238 1.00 0.00 H new ATOM 1180 N PRO A 76 5.484 -7.670 1.041 1.00 0.00 N ATOM 1181 CA PRO A 76 5.535 -7.401 2.483 1.00 0.00 C ATOM 1182 C PRO A 76 4.162 -7.178 3.100 1.00 0.00 C ATOM 1183 O PRO A 76 4.008 -7.246 4.316 1.00 0.00 O ATOM 1184 CB PRO A 76 6.379 -6.127 2.600 1.00 0.00 C ATOM 1185 CG PRO A 76 6.325 -5.507 1.251 1.00 0.00 C ATOM 1186 CD PRO A 76 6.210 -6.645 0.282 1.00 0.00 C ATOM 0 HA PRO A 76 5.950 -8.254 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.978 -5.456 3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.405 -6.358 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.473 -4.832 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.220 -4.917 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.668 -6.353 -0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.190 -7.001 -0.037 1.00 0.00 H new ATOM 1194 N MET A 77 3.171 -6.891 2.265 1.00 0.00 N ATOM 1195 CA MET A 77 1.798 -6.796 2.744 1.00 0.00 C ATOM 1196 C MET A 77 1.226 -8.181 2.996 1.00 0.00 C ATOM 1197 O MET A 77 0.210 -8.329 3.663 1.00 0.00 O ATOM 1198 CB MET A 77 0.921 -6.045 1.747 1.00 0.00 C ATOM 1199 CG MET A 77 1.275 -4.580 1.630 1.00 0.00 C ATOM 1200 SD MET A 77 1.187 -3.724 3.214 1.00 0.00 S ATOM 1201 CE MET A 77 1.677 -2.081 2.723 1.00 0.00 C ATOM 0 H MET A 77 3.289 -6.722 1.266 1.00 0.00 H new ATOM 0 HA MET A 77 1.809 -6.240 3.681 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.012 -6.514 0.767 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.122 -6.137 2.049 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.282 -4.483 1.223 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.598 -4.101 0.923 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.880 -1.482 3.610 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.576 -2.138 2.109 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.874 -1.618 2.149 1.00 0.00 H new ATOM 1211 N SER A 78 1.883 -9.188 2.443 1.00 0.00 N ATOM 1212 CA SER A 78 1.468 -10.570 2.605 1.00 0.00 C ATOM 1213 C SER A 78 2.053 -11.167 3.882 1.00 0.00 C ATOM 1214 O SER A 78 1.336 -11.729 4.708 1.00 0.00 O ATOM 1215 CB SER A 78 1.925 -11.380 1.394 1.00 0.00 C ATOM 1216 OG SER A 78 1.637 -12.759 1.546 1.00 0.00 O ATOM 0 H SER A 78 2.718 -9.069 1.870 1.00 0.00 H new ATOM 0 HA SER A 78 0.381 -10.604 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.434 -11.002 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.997 -11.246 1.250 1.00 0.00 H new ATOM 0 HG SER A 78 1.942 -13.246 0.752 1.00 0.00 H new ATOM 1222 N VAL A 79 3.363 -11.052 4.024 1.00 0.00 N ATOM 1223 CA VAL A 79 4.070 -11.638 5.149 1.00 0.00 C ATOM 1224 C VAL A 79 4.552 -10.539 6.093 1.00 0.00 C ATOM 1225 O VAL A 79 4.942 -9.464 5.644 1.00 0.00 O ATOM 1226 CB VAL A 79 5.261 -12.498 4.652 1.00 0.00 C ATOM 1227 CG1 VAL A 79 6.221 -11.673 3.807 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.993 -13.150 5.814 1.00 0.00 C ATOM 0 H VAL A 79 3.963 -10.553 3.367 1.00 0.00 H new ATOM 0 HA VAL A 79 3.387 -12.289 5.695 1.00 0.00 H new ATOM 0 HB VAL A 79 4.853 -13.290 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.045 -12.303 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.693 -11.276 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.613 -10.848 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.822 -13.746 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.377 -12.378 6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.305 -13.794 6.362 1.00 0.00 H new ATOM 1238 N HIS A 80 4.496 -10.804 7.398 1.00 0.00 N ATOM 1239 CA HIS A 80 4.881 -9.812 8.404 1.00 0.00 C ATOM 1240 C HIS A 80 6.313 -9.347 8.177 1.00 0.00 C ATOM 1241 O HIS A 80 7.264 -10.111 8.366 1.00 0.00 O ATOM 1242 CB HIS A 80 4.702 -10.368 9.817 1.00 0.00 C ATOM 1243 CG HIS A 80 3.265 -10.575 10.189 1.00 0.00 C ATOM 1244 ND1 HIS A 80 2.620 -11.784 10.060 1.00 0.00 N ATOM 1245 CD2 HIS A 80 2.344 -9.713 10.681 1.00 0.00 C ATOM 1246 CE1 HIS A 80 1.368 -11.660 10.455 1.00 0.00 C ATOM 1247 NE2 HIS A 80 1.175 -10.413 10.837 1.00 0.00 N ATOM 0 H HIS A 80 4.188 -11.696 7.784 1.00 0.00 H new ATOM 0 HA HIS A 80 4.223 -8.949 8.301 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.232 -11.317 9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.161 -9.684 10.531 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.501 -8.669 10.908 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.627 -12.446 10.464 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.298 -10.031 11.191 1.00 0.00 H new ATOM 1256 N MET A 81 6.456 -8.088 7.772 1.00 0.00 N ATOM 1257 CA MET A 81 7.731 -7.585 7.279 1.00 0.00 C ATOM 1258 C MET A 81 8.039 -6.153 7.737 1.00 0.00 C ATOM 1259 O MET A 81 7.195 -5.461 8.309 1.00 0.00 O ATOM 1260 CB MET A 81 7.738 -7.632 5.744 1.00 0.00 C ATOM 1261 CG MET A 81 8.246 -8.944 5.173 1.00 0.00 C ATOM 1262 SD MET A 81 8.492 -8.879 3.386 1.00 0.00 S ATOM 1263 CE MET A 81 9.653 -7.519 3.247 1.00 0.00 C ATOM 0 H MET A 81 5.704 -7.399 7.776 1.00 0.00 H new ATOM 0 HA MET A 81 8.505 -8.228 7.698 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.726 -7.456 5.380 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.358 -6.818 5.368 1.00 0.00 H new ATOM 0 HG2 MET A 81 9.188 -9.205 5.656 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.536 -9.737 5.409 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.901 -7.358 2.198 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.204 -6.614 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.560 -7.757 3.802 1.00 0.00 H new ATOM 1273 N PRO A 82 9.301 -5.741 7.472 1.00 0.00 N ATOM 1274 CA PRO A 82 9.860 -4.379 7.633 1.00 0.00 C ATOM 1275 C PRO A 82 8.986 -3.183 7.216 1.00 0.00 C ATOM 1276 O PRO A 82 9.482 -2.075 7.285 1.00 0.00 O ATOM 1277 CB PRO A 82 11.091 -4.418 6.738 1.00 0.00 C ATOM 1278 CG PRO A 82 11.594 -5.803 6.872 1.00 0.00 C ATOM 1279 CD PRO A 82 10.378 -6.670 7.041 1.00 0.00 C ATOM 0 HA PRO A 82 10.010 -4.194 8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.839 -4.184 5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.838 -3.691 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.164 -6.098 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.261 -5.895 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.118 -7.171 6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.549 -7.449 7.784 1.00 0.00 H new ATOM 1287 N ALA A 83 7.753 -3.385 6.738 1.00 0.00 N ATOM 1288 CA ALA A 83 6.937 -2.311 6.110 1.00 0.00 C ATOM 1289 C ALA A 83 7.072 -0.928 6.782 1.00 0.00 C ATOM 1290 O ALA A 83 7.128 0.090 6.087 1.00 0.00 O ATOM 1291 CB ALA A 83 5.469 -2.720 6.112 1.00 0.00 C ATOM 0 H ALA A 83 7.284 -4.290 6.770 1.00 0.00 H new ATOM 0 HA ALA A 83 7.323 -2.200 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.871 -1.933 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.348 -3.645 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.136 -2.875 7.138 1.00 0.00 H new ATOM 1297 N MET A 84 7.159 -0.879 8.108 1.00 0.00 N ATOM 1298 CA MET A 84 7.335 0.400 8.807 1.00 0.00 C ATOM 1299 C MET A 84 8.639 1.083 8.372 1.00 0.00 C ATOM 1300 O MET A 84 8.693 2.299 8.206 1.00 0.00 O ATOM 1301 CB MET A 84 7.305 0.195 10.331 1.00 0.00 C ATOM 1302 CG MET A 84 8.564 -0.436 10.908 1.00 0.00 C ATOM 1303 SD MET A 84 8.226 -1.882 11.933 1.00 0.00 S ATOM 1304 CE MET A 84 7.781 -3.082 10.680 1.00 0.00 C ATOM 0 H MET A 84 7.112 -1.695 8.718 1.00 0.00 H new ATOM 0 HA MET A 84 6.506 1.054 8.537 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.145 1.160 10.812 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.451 -0.433 10.584 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.226 -0.724 10.091 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.096 0.307 11.502 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.889 -4.088 11.085 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.747 -2.923 10.374 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.436 -2.967 9.817 1.00 0.00 H new ATOM 1314 N LYS A 85 9.679 0.287 8.169 1.00 0.00 N ATOM 1315 CA LYS A 85 10.960 0.784 7.688 1.00 0.00 C ATOM 1316 C LYS A 85 10.965 0.840 6.168 1.00 0.00 C ATOM 1317 O LYS A 85 11.744 1.575 5.571 1.00 0.00 O ATOM 1318 CB LYS A 85 12.102 -0.119 8.153 1.00 0.00 C ATOM 1319 CG LYS A 85 12.029 -0.493 9.618 1.00 0.00 C ATOM 1320 CD LYS A 85 13.217 -1.347 10.028 1.00 0.00 C ATOM 1321 CE LYS A 85 13.103 -1.819 11.467 1.00 0.00 C ATOM 1322 NZ LYS A 85 13.075 -0.688 12.432 1.00 0.00 N ATOM 0 H LYS A 85 9.659 -0.720 8.333 1.00 0.00 H new ATOM 0 HA LYS A 85 11.105 1.785 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.099 -1.030 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.050 0.384 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.001 0.411 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.104 -1.036 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.289 -2.211 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.136 -0.774 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.197 -2.413 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.944 -2.472 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.133 -1.058 13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.883 -0.058 12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.189 -0.156 12.317 1.00 0.00 H new ATOM 1336 N ILE A 86 10.103 0.043 5.539 1.00 0.00 N ATOM 1337 CA ILE A 86 10.046 -0.006 4.083 1.00 0.00 C ATOM 1338 C ILE A 86 9.656 1.354 3.528 1.00 0.00 C ATOM 1339 O ILE A 86 10.116 1.756 2.463 1.00 0.00 O ATOM 1340 CB ILE A 86 9.074 -1.091 3.555 1.00 0.00 C ATOM 1341 CG1 ILE A 86 9.571 -2.480 3.959 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.923 -0.999 2.040 1.00 0.00 C ATOM 1343 CD1 ILE A 86 8.787 -3.624 3.350 1.00 0.00 C ATOM 0 H ILE A 86 9.441 -0.572 6.012 1.00 0.00 H new ATOM 0 HA ILE A 86 11.044 -0.276 3.737 1.00 0.00 H new ATOM 0 HB ILE A 86 8.094 -0.922 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.617 -2.577 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.532 -2.565 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.236 -1.772 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.530 -0.018 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.895 -1.142 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.205 -4.572 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.744 -3.556 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.847 -3.568 2.263 1.00 0.00 H new ATOM 1355 N CYS A 87 8.829 2.071 4.269 1.00 0.00 N ATOM 1356 CA CYS A 87 8.473 3.429 3.894 1.00 0.00 C ATOM 1357 C CYS A 87 9.697 4.330 3.922 1.00 0.00 C ATOM 1358 O CYS A 87 9.854 5.217 3.084 1.00 0.00 O ATOM 1359 CB CYS A 87 7.396 3.976 4.817 1.00 0.00 C ATOM 1360 SG CYS A 87 6.940 5.703 4.477 1.00 0.00 S ATOM 0 H CYS A 87 8.393 1.738 5.129 1.00 0.00 H new ATOM 0 HA CYS A 87 8.080 3.408 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.506 3.352 4.731 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.741 3.898 5.848 1.00 0.00 H new ATOM 1365 N GLU A 88 10.574 4.079 4.874 1.00 0.00 N ATOM 1366 CA GLU A 88 11.820 4.807 4.967 1.00 0.00 C ATOM 1367 C GLU A 88 12.702 4.470 3.772 1.00 0.00 C ATOM 1368 O GLU A 88 13.372 5.335 3.210 1.00 0.00 O ATOM 1369 CB GLU A 88 12.522 4.436 6.258 1.00 0.00 C ATOM 1370 CG GLU A 88 11.790 4.888 7.508 1.00 0.00 C ATOM 1371 CD GLU A 88 12.602 4.648 8.758 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.533 3.536 9.320 1.00 0.00 O ATOM 1373 OE2 GLU A 88 13.332 5.570 9.176 1.00 0.00 O ATOM 0 H GLU A 88 10.444 3.372 5.597 1.00 0.00 H new ATOM 0 HA GLU A 88 11.620 5.879 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.648 3.354 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.521 4.873 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.555 5.949 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.841 4.357 7.585 1.00 0.00 H new ATOM 1380 N LYS A 89 12.680 3.198 3.387 1.00 0.00 N ATOM 1381 CA LYS A 89 13.382 2.732 2.200 1.00 0.00 C ATOM 1382 C LYS A 89 12.810 3.418 0.962 1.00 0.00 C ATOM 1383 O LYS A 89 13.545 3.831 0.066 1.00 0.00 O ATOM 1384 CB LYS A 89 13.239 1.215 2.070 1.00 0.00 C ATOM 1385 CG LYS A 89 13.756 0.452 3.268 1.00 0.00 C ATOM 1386 CD LYS A 89 13.415 -1.020 3.157 1.00 0.00 C ATOM 1387 CE LYS A 89 13.274 -1.647 4.528 1.00 0.00 C ATOM 1388 NZ LYS A 89 14.542 -1.583 5.306 1.00 0.00 N ATOM 0 H LYS A 89 12.177 2.465 3.888 1.00 0.00 H new ATOM 0 HA LYS A 89 14.440 2.980 2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.188 0.969 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.774 0.883 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.836 0.575 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.323 0.862 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.486 -1.141 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.193 -1.536 2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.484 -1.137 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.967 -2.687 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.437 -2.126 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.317 -1.987 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.760 -0.592 5.534 1.00 0.00 H new ATOM 1402 N LEU A 90 11.486 3.545 0.943 1.00 0.00 N ATOM 1403 CA LEU A 90 10.772 4.226 -0.132 1.00 0.00 C ATOM 1404 C LEU A 90 11.200 5.679 -0.255 1.00 0.00 C ATOM 1405 O LEU A 90 11.206 6.240 -1.350 1.00 0.00 O ATOM 1406 CB LEU A 90 9.265 4.158 0.107 1.00 0.00 C ATOM 1407 CG LEU A 90 8.582 2.910 -0.439 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.111 2.898 -0.057 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.746 2.862 -1.948 1.00 0.00 C ATOM 0 H LEU A 90 10.877 3.178 1.674 1.00 0.00 H new ATOM 0 HA LEU A 90 11.019 3.716 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.079 4.216 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.801 5.035 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 90 9.049 2.026 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.639 2.000 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.017 2.906 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.621 3.779 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.258 1.969 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.292 3.748 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.807 2.834 -2.198 1.00 0.00 H new ATOM 1421 N LYS A 91 11.565 6.283 0.867 1.00 0.00 N ATOM 1422 CA LYS A 91 11.986 7.675 0.875 1.00 0.00 C ATOM 1423 C LYS A 91 13.281 7.866 0.089 1.00 0.00 C ATOM 1424 O LYS A 91 13.614 8.981 -0.312 1.00 0.00 O ATOM 1425 CB LYS A 91 12.170 8.182 2.307 1.00 0.00 C ATOM 1426 CG LYS A 91 10.892 8.195 3.126 1.00 0.00 C ATOM 1427 CD LYS A 91 11.125 8.689 4.552 1.00 0.00 C ATOM 1428 CE LYS A 91 11.441 10.182 4.609 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.868 10.483 4.315 1.00 0.00 N ATOM 0 H LYS A 91 11.578 5.831 1.781 1.00 0.00 H new ATOM 0 HA LYS A 91 11.199 8.255 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.906 7.556 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.579 9.192 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.156 8.834 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.471 7.190 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.239 8.485 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.948 8.129 4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.809 10.710 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.191 10.564 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.246 11.119 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.415 9.599 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.941 10.942 3.385 1.00 0.00 H new ATOM 1443 N LYS A 92 14.013 6.778 -0.120 1.00 0.00 N ATOM 1444 CA LYS A 92 15.233 6.824 -0.913 1.00 0.00 C ATOM 1445 C LYS A 92 14.883 6.867 -2.397 1.00 0.00 C ATOM 1446 O LYS A 92 15.660 7.346 -3.222 1.00 0.00 O ATOM 1447 CB LYS A 92 16.122 5.616 -0.597 1.00 0.00 C ATOM 1448 CG LYS A 92 17.453 5.611 -1.337 1.00 0.00 C ATOM 1449 CD LYS A 92 18.312 6.833 -1.014 1.00 0.00 C ATOM 1450 CE LYS A 92 18.880 6.799 0.403 1.00 0.00 C ATOM 1451 NZ LYS A 92 17.884 7.207 1.430 1.00 0.00 N ATOM 0 H LYS A 92 13.783 5.855 0.248 1.00 0.00 H new ATOM 0 HA LYS A 92 15.789 7.727 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.315 5.592 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.578 4.704 -0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 92 18.004 4.706 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.267 5.576 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 92 19.133 6.893 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.714 7.735 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.233 5.792 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.745 7.459 0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.328 7.866 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.079 7.675 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.548 6.366 1.941 1.00 0.00 H new ATOM 1465 N LEU A 93 13.696 6.374 -2.728 1.00 0.00 N ATOM 1466 CA LEU A 93 13.202 6.443 -4.092 1.00 0.00 C ATOM 1467 C LEU A 93 12.543 7.792 -4.332 1.00 0.00 C ATOM 1468 O LEU A 93 12.889 8.506 -5.274 1.00 0.00 O ATOM 1469 CB LEU A 93 12.203 5.316 -4.390 1.00 0.00 C ATOM 1470 CG LEU A 93 12.795 3.905 -4.476 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.059 3.336 -3.092 1.00 0.00 C ATOM 1472 CD2 LEU A 93 11.870 2.994 -5.266 1.00 0.00 C ATOM 0 H LEU A 93 13.061 5.923 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 93 14.052 6.322 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.436 5.321 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.704 5.538 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 93 13.751 3.967 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.479 2.334 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.764 3.977 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.124 3.287 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.302 1.995 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.900 2.944 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.744 3.389 -6.274 1.00 0.00 H new ATOM 1484 N ASP A 94 11.606 8.146 -3.464 1.00 0.00 N ATOM 1485 CA ASP A 94 10.893 9.409 -3.584 1.00 0.00 C ATOM 1486 C ASP A 94 10.605 9.979 -2.198 1.00 0.00 C ATOM 1487 O ASP A 94 10.133 9.268 -1.310 1.00 0.00 O ATOM 1488 CB ASP A 94 9.587 9.206 -4.360 1.00 0.00 C ATOM 1489 CG ASP A 94 9.011 10.508 -4.869 1.00 0.00 C ATOM 1490 OD1 ASP A 94 8.526 11.310 -4.049 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.064 10.745 -6.095 1.00 0.00 O ATOM 0 H ASP A 94 11.322 7.575 -2.668 1.00 0.00 H new ATOM 0 HA ASP A 94 11.515 10.117 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.768 8.538 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.857 8.716 -3.716 1.00 0.00 H new ATOM 1496 N SER A 95 10.893 11.260 -2.013 1.00 0.00 N ATOM 1497 CA SER A 95 10.775 11.889 -0.705 1.00 0.00 C ATOM 1498 C SER A 95 9.351 12.376 -0.424 1.00 0.00 C ATOM 1499 O SER A 95 8.983 12.591 0.733 1.00 0.00 O ATOM 1500 CB SER A 95 11.778 13.041 -0.583 1.00 0.00 C ATOM 1501 OG SER A 95 11.828 13.826 -1.768 1.00 0.00 O ATOM 0 H SER A 95 11.211 11.885 -2.754 1.00 0.00 H new ATOM 0 HA SER A 95 11.005 11.134 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.504 13.674 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.769 12.639 -0.371 1.00 0.00 H new ATOM 0 HG SER A 95 12.477 14.552 -1.653 1.00 0.00 H new ATOM 1507 N GLN A 96 8.542 12.523 -1.471 1.00 0.00 N ATOM 1508 CA GLN A 96 7.175 13.015 -1.310 1.00 0.00 C ATOM 1509 C GLN A 96 6.325 12.001 -0.560 1.00 0.00 C ATOM 1510 O GLN A 96 5.440 12.372 0.203 1.00 0.00 O ATOM 1511 CB GLN A 96 6.530 13.302 -2.667 1.00 0.00 C ATOM 1512 CG GLN A 96 7.206 14.407 -3.458 1.00 0.00 C ATOM 1513 CD GLN A 96 6.563 14.612 -4.815 1.00 0.00 C ATOM 1514 OE1 GLN A 96 5.362 14.389 -4.987 1.00 0.00 O ATOM 1515 NE2 GLN A 96 7.350 15.033 -5.788 1.00 0.00 N ATOM 0 H GLN A 96 8.806 12.310 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 96 7.226 13.941 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.539 12.388 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.485 13.570 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.161 15.337 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.261 14.165 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.338 15.206 -5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.969 15.185 -6.722 1.00 0.00 H new ATOM 1524 N ILE A 97 6.627 10.725 -0.777 1.00 0.00 N ATOM 1525 CA ILE A 97 5.868 9.616 -0.196 1.00 0.00 C ATOM 1526 C ILE A 97 5.591 9.825 1.294 1.00 0.00 C ATOM 1527 O ILE A 97 4.455 9.695 1.757 1.00 0.00 O ATOM 1528 CB ILE A 97 6.627 8.286 -0.386 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.861 8.019 -1.876 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.866 7.134 0.251 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.618 6.739 -2.157 1.00 0.00 C ATOM 0 H ILE A 97 7.407 10.427 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 97 4.912 9.579 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 97 7.594 8.367 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.897 7.979 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.412 8.857 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.420 6.207 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.748 7.322 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.883 7.047 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.744 6.620 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.597 6.783 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.059 5.891 -1.761 1.00 0.00 H new ATOM 1543 N CYS A 98 6.627 10.166 2.037 1.00 0.00 N ATOM 1544 CA CYS A 98 6.499 10.330 3.474 1.00 0.00 C ATOM 1545 C CYS A 98 6.152 11.775 3.823 1.00 0.00 C ATOM 1546 O CYS A 98 5.373 12.036 4.746 1.00 0.00 O ATOM 1547 CB CYS A 98 7.801 9.920 4.162 1.00 0.00 C ATOM 1548 SG CYS A 98 7.585 8.898 5.660 1.00 0.00 S ATOM 0 H CYS A 98 7.564 10.335 1.671 1.00 0.00 H new ATOM 0 HA CYS A 98 5.691 9.689 3.827 1.00 0.00 H new ATOM 0 HB2 CYS A 98 8.415 9.370 3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.353 10.821 4.430 1.00 0.00 H new ATOM 1553 N GLU A 99 6.689 12.712 3.053 1.00 0.00 N ATOM 1554 CA GLU A 99 6.584 14.128 3.387 1.00 0.00 C ATOM 1555 C GLU A 99 5.334 14.769 2.792 1.00 0.00 C ATOM 1556 O GLU A 99 5.269 15.985 2.628 1.00 0.00 O ATOM 1557 CB GLU A 99 7.836 14.873 2.925 1.00 0.00 C ATOM 1558 CG GLU A 99 9.111 14.360 3.571 1.00 0.00 C ATOM 1559 CD GLU A 99 9.021 14.329 5.082 1.00 0.00 C ATOM 1560 OE1 GLU A 99 9.282 15.371 5.721 1.00 0.00 O ATOM 1561 OE2 GLU A 99 8.681 13.268 5.642 1.00 0.00 O ATOM 0 H GLU A 99 7.202 12.518 2.193 1.00 0.00 H new ATOM 0 HA GLU A 99 6.500 14.202 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.924 14.785 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.724 15.934 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.324 13.357 3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.946 14.993 3.273 1.00 0.00 H new ATOM 1568 N LEU A 100 4.350 13.947 2.467 1.00 0.00 N ATOM 1569 CA LEU A 100 3.051 14.440 2.025 1.00 0.00 C ATOM 1570 C LEU A 100 2.329 15.140 3.171 1.00 0.00 C ATOM 1571 O LEU A 100 1.915 16.294 3.040 1.00 0.00 O ATOM 1572 CB LEU A 100 2.206 13.279 1.509 1.00 0.00 C ATOM 1573 CG LEU A 100 2.533 12.814 0.091 1.00 0.00 C ATOM 1574 CD1 LEU A 100 1.806 11.522 -0.220 1.00 0.00 C ATOM 1575 CD2 LEU A 100 2.159 13.883 -0.924 1.00 0.00 C ATOM 0 H LEU A 100 4.424 12.930 2.500 1.00 0.00 H new ATOM 0 HA LEU A 100 3.204 15.159 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.326 12.434 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.156 13.571 1.545 1.00 0.00 H new ATOM 0 HG LEU A 100 3.607 12.638 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.049 11.203 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.115 10.752 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.731 11.680 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.400 13.532 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.091 14.089 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.718 14.795 -0.715 1.00 0.00 H new ATOM 1587 N LYS A 101 2.192 14.423 4.287 1.00 0.00 N ATOM 1588 CA LYS A 101 1.593 14.949 5.521 1.00 0.00 C ATOM 1589 C LYS A 101 0.083 15.175 5.389 1.00 0.00 C ATOM 1590 O LYS A 101 -0.417 15.632 4.359 1.00 0.00 O ATOM 1591 CB LYS A 101 2.299 16.234 5.965 1.00 0.00 C ATOM 1592 CG LYS A 101 3.801 16.060 6.120 1.00 0.00 C ATOM 1593 CD LYS A 101 4.133 14.921 7.071 1.00 0.00 C ATOM 1594 CE LYS A 101 5.603 14.544 6.996 1.00 0.00 C ATOM 1595 NZ LYS A 101 6.496 15.689 7.320 1.00 0.00 N ATOM 0 H LYS A 101 2.495 13.452 4.364 1.00 0.00 H new ATOM 0 HA LYS A 101 1.734 14.190 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.103 17.021 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.877 16.565 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.248 15.864 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.239 16.986 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.883 15.212 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.521 14.053 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.801 13.724 7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.832 14.179 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.478 15.354 7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.426 16.406 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.208 16.108 8.228 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.638 14.833 6.451 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.090 14.962 6.487 1.00 0.00 C ATOM 1611 C TYR A 102 -2.501 16.416 6.676 1.00 0.00 C ATOM 1612 O TYR A 102 -2.773 16.842 7.801 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.669 14.117 7.628 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.244 12.778 7.213 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.145 12.307 5.908 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -3.907 11.990 8.145 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.689 11.088 5.548 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -4.454 10.774 7.791 1.00 0.00 C ATOM 1619 CZ TYR A 102 -4.344 10.327 6.495 1.00 0.00 C ATOM 1620 OH TYR A 102 -4.901 9.119 6.147 1.00 0.00 O ATOM 0 H TYR A 102 -0.233 14.459 7.309 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.483 14.606 5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.885 13.945 8.365 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.451 14.692 8.124 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.636 12.902 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.996 12.335 9.164 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.602 10.733 4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.967 10.175 8.529 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.229 8.567 5.695 1.00 0.00 H new ATOM 1630 N GLU A 103 -2.536 17.159 5.571 1.00 0.00 N ATOM 1631 CA GLU A 103 -2.924 18.569 5.570 1.00 0.00 C ATOM 1632 C GLU A 103 -2.011 19.398 6.465 1.00 0.00 C ATOM 1633 O GLU A 103 -2.177 19.448 7.684 1.00 0.00 O ATOM 1634 CB GLU A 103 -4.391 18.736 5.977 1.00 0.00 C ATOM 1635 CG GLU A 103 -5.359 18.117 4.982 1.00 0.00 C ATOM 1636 CD GLU A 103 -5.166 18.652 3.576 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -4.212 18.217 2.893 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -5.961 19.512 3.146 1.00 0.00 O ATOM 0 H GLU A 103 -2.295 16.799 4.648 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.813 18.940 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.545 18.281 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.615 19.798 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.228 17.035 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.382 18.313 5.305 1.00 0.00 H new ATOM 1645 N LYS A 104 -1.062 20.072 5.835 1.00 0.00 N ATOM 1646 CA LYS A 104 -0.031 20.822 6.545 1.00 0.00 C ATOM 1647 C LYS A 104 -0.553 22.174 7.036 1.00 0.00 C ATOM 1648 O LYS A 104 0.170 23.174 7.047 1.00 0.00 O ATOM 1649 CB LYS A 104 1.176 21.012 5.626 1.00 0.00 C ATOM 1650 CG LYS A 104 0.852 21.731 4.325 1.00 0.00 C ATOM 1651 CD LYS A 104 1.988 21.610 3.324 1.00 0.00 C ATOM 1652 CE LYS A 104 2.044 20.218 2.713 1.00 0.00 C ATOM 1653 NZ LYS A 104 0.853 19.939 1.865 1.00 0.00 N ATOM 0 H LYS A 104 -0.982 20.116 4.819 1.00 0.00 H new ATOM 0 HA LYS A 104 0.266 20.254 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.942 21.575 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.601 20.036 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.059 21.315 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.656 22.784 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.860 22.351 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.935 21.831 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.949 20.121 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.107 19.474 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.050 19.126 1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.037 19.723 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.639 20.773 1.282 1.00 0.00 H new ATOM 1667 N THR A 105 -1.805 22.194 7.449 1.00 0.00 N ATOM 1668 CA THR A 105 -2.435 23.400 7.940 1.00 0.00 C ATOM 1669 C THR A 105 -3.031 23.164 9.325 1.00 0.00 C ATOM 1670 O THR A 105 -4.235 22.848 9.420 1.00 0.00 O ATOM 1671 CB THR A 105 -3.519 23.882 6.957 1.00 0.00 C ATOM 1672 OG1 THR A 105 -4.244 22.756 6.437 1.00 0.00 O ATOM 1673 CG2 THR A 105 -2.896 24.662 5.810 1.00 0.00 C ATOM 1674 OXT THR A 105 -2.274 23.255 10.316 1.00 0.00 O ATOM 0 H THR A 105 -2.412 21.375 7.453 1.00 0.00 H new ATOM 0 HA THR A 105 -1.676 24.178 8.021 1.00 0.00 H new ATOM 0 HB THR A 105 -4.203 24.538 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 105 -4.601 22.225 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.679 24.993 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.368 25.530 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.194 24.023 5.274 1.00 0.00 H new TER 1682 THR A 105