USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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: A1082 ASN : amide:sc= 1.06 K(o=3.3,f=-8.8!) USER MOD Set 1.2: B1592 LYS NZ :NH3+ -153:sc= 2.28 (180deg=0.196) USER MOD Set 2.1: A1122 SER OG : rot -85:sc= 1.34 USER MOD Set 2.2: B1587 SER OG : rot 159:sc= 1.25 USER MOD Single : A1073 LYS NZ :NH3+ 178:sc= 0.766 (180deg=0.762) USER MOD Single : A1074 THR OG1 : rot 152:sc= 1.41 USER MOD Single : A1076 TYR OH : rot 41:sc= -0.71 USER MOD Single : A1078 CYS SG : rot -130:sc= -1.94 USER MOD Single : A1079 GLN : amide:sc= -0.0466 K(o=-0.047,f=-1.2!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.961 USER MOD Single : A1097 THR OG1 : rot 180:sc= -2.64! USER MOD Single : A1102 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A1108 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A1112 GLN : amide:sc= -0.809 K(o=-0.81,f=0) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1125 HIS : no HD1:sc= -0.0813 X(o=-0.081,f=0) USER MOD Single : A1128 SER OG : rot 110:sc= -0.0299 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0 USER MOD Single : B1583 MET CE :methyl -124:sc= -2.9! (180deg=-4.68!) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 159:sc= 0.464 (180deg=0.166) USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -170:sc= -0.0045 (180deg=-0.109) USER MOD Single : B1593 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0157) USER MOD Single : B1596 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 3.308 -1.138 -2.692 1.00 0.00 N ATOM 2 CA VAL A1069 3.180 -0.680 -1.294 1.00 0.00 C ATOM 3 C VAL A1069 4.089 0.514 -1.047 1.00 0.00 C ATOM 4 O VAL A1069 5.316 0.393 -1.043 1.00 0.00 O ATOM 5 CB VAL A1069 3.530 -1.798 -0.289 1.00 0.00 C ATOM 6 CG1 VAL A1069 3.407 -1.299 1.146 1.00 0.00 C ATOM 7 CG2 VAL A1069 2.641 -3.009 -0.503 1.00 0.00 C ATOM 0 HA VAL A1069 2.139 -0.395 -1.142 1.00 0.00 H new ATOM 0 HB VAL A1069 4.565 -2.092 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A1069 3.659 -2.106 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A1069 4.090 -0.464 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A1069 2.384 -0.971 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A1069 2.904 -3.785 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A1069 1.598 -2.724 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A1069 2.781 -3.389 -1.515 1.00 0.00 H new ATOM 19 N ARG A1070 3.481 1.669 -0.849 1.00 0.00 N ATOM 20 CA ARG A1070 4.226 2.884 -0.610 1.00 0.00 C ATOM 21 C ARG A1070 4.509 3.021 0.883 1.00 0.00 C ATOM 22 O ARG A1070 3.593 3.159 1.692 1.00 0.00 O ATOM 23 CB ARG A1070 3.454 4.091 -1.152 1.00 0.00 C ATOM 24 CG ARG A1070 4.262 5.375 -1.159 1.00 0.00 C ATOM 25 CD ARG A1070 3.848 6.296 -2.299 1.00 0.00 C ATOM 26 NE ARG A1070 2.488 6.821 -2.149 1.00 0.00 N ATOM 27 CZ ARG A1070 2.011 7.847 -2.864 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.738 8.351 -3.856 1.00 0.00 N ATOM 29 NH2 ARG A1070 0.800 8.336 -2.617 1.00 0.00 N ATOM 0 H ARG A1070 2.468 1.788 -0.850 1.00 0.00 H new ATOM 0 HA ARG A1070 5.180 2.842 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.123 3.874 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.558 4.239 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.132 5.892 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.322 5.137 -1.250 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.548 7.129 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A1070 3.919 5.753 -3.241 1.00 0.00 H new ATOM 0 HE ARG A1070 1.873 6.382 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.654 7.956 -4.069 1.00 0.00 H new ATOM 0 HH12 ARG A1070 2.380 9.133 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A1070 0.227 7.929 -1.878 1.00 0.00 H new ATOM 0 HH22 ARG A1070 0.444 9.118 -3.167 1.00 0.00 H new ATOM 43 N ARG A1071 5.781 2.958 1.237 1.00 0.00 N ATOM 44 CA ARG A1071 6.196 2.918 2.632 1.00 0.00 C ATOM 45 C ARG A1071 7.105 4.105 2.927 1.00 0.00 C ATOM 46 O ARG A1071 7.971 4.437 2.117 1.00 0.00 O ATOM 47 CB ARG A1071 6.935 1.599 2.884 1.00 0.00 C ATOM 48 CG ARG A1071 7.161 1.232 4.343 1.00 0.00 C ATOM 49 CD ARG A1071 7.862 -0.117 4.428 1.00 0.00 C ATOM 50 NE ARG A1071 8.059 -0.591 5.798 1.00 0.00 N ATOM 51 CZ ARG A1071 9.252 -0.689 6.385 1.00 0.00 C ATOM 52 NH1 ARG A1071 10.341 -0.267 5.751 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.355 -1.212 7.603 1.00 0.00 N ATOM 0 H ARG A1071 6.553 2.933 0.571 1.00 0.00 H new ATOM 0 HA ARG A1071 5.328 2.977 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.373 0.794 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.904 1.647 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.763 1.998 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.208 1.192 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.279 -0.855 3.878 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.831 -0.045 3.935 1.00 0.00 H new ATOM 0 HE ARG A1071 7.236 -0.862 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A1071 10.264 0.132 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A1071 11.254 -0.342 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A1071 8.520 -1.539 8.090 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.269 -1.286 8.051 1.00 0.00 H new ATOM 67 N VAL A1072 6.898 4.752 4.063 1.00 0.00 N ATOM 68 CA VAL A1072 7.713 5.899 4.444 1.00 0.00 C ATOM 69 C VAL A1072 8.219 5.752 5.873 1.00 0.00 C ATOM 70 O VAL A1072 7.596 5.084 6.699 1.00 0.00 O ATOM 71 CB VAL A1072 6.934 7.233 4.318 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.505 7.481 2.879 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.728 7.251 5.245 1.00 0.00 C ATOM 0 H VAL A1072 6.174 4.504 4.738 1.00 0.00 H new ATOM 0 HA VAL A1072 8.557 5.925 3.755 1.00 0.00 H new ATOM 0 HB VAL A1072 7.605 8.038 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.960 8.423 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.387 7.530 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.860 6.668 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.200 8.198 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.059 6.430 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.060 7.137 6.277 1.00 0.00 H new ATOM 83 N LYS A1073 9.354 6.367 6.150 1.00 0.00 N ATOM 84 CA LYS A1073 9.921 6.365 7.491 1.00 0.00 C ATOM 85 C LYS A1073 9.935 7.783 8.019 1.00 0.00 C ATOM 86 O LYS A1073 10.309 8.712 7.300 1.00 0.00 O ATOM 87 CB LYS A1073 11.346 5.807 7.473 1.00 0.00 C ATOM 88 CG LYS A1073 11.722 4.998 8.711 1.00 0.00 C ATOM 89 CD LYS A1073 12.067 5.880 9.905 1.00 0.00 C ATOM 90 CE LYS A1073 13.379 6.623 9.694 1.00 0.00 C ATOM 91 NZ LYS A1073 13.802 7.361 10.915 1.00 0.00 N ATOM 0 H LYS A1073 9.906 6.878 5.461 1.00 0.00 H new ATOM 0 HA LYS A1073 9.312 5.731 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.465 5.176 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.046 6.636 7.369 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.894 4.341 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.574 4.359 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.264 6.598 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.136 5.266 10.803 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.157 5.913 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.270 7.323 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.716 7.826 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.088 8.079 11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 13.898 6.695 11.708 1.00 0.00 H new ATOM 105 N THR A1074 9.527 7.957 9.259 1.00 0.00 N ATOM 106 CA THR A1074 9.515 9.271 9.857 1.00 0.00 C ATOM 107 C THR A1074 10.935 9.693 10.200 1.00 0.00 C ATOM 108 O THR A1074 11.592 9.105 11.067 1.00 0.00 O ATOM 109 CB THR A1074 8.619 9.313 11.108 1.00 0.00 C ATOM 110 OG1 THR A1074 9.166 8.487 12.135 1.00 0.00 O ATOM 111 CG2 THR A1074 7.219 8.828 10.772 1.00 0.00 C ATOM 0 H THR A1074 9.201 7.207 9.868 1.00 0.00 H new ATOM 0 HA THR A1074 9.098 9.972 9.134 1.00 0.00 H new ATOM 0 HB THR A1074 8.570 10.344 11.458 1.00 0.00 H new ATOM 0 HG1 THR A1074 8.895 8.832 13.011 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.597 8.863 11.667 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.786 9.469 10.004 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.267 7.803 10.404 1.00 0.00 H new ATOM 119 N ILE A1075 11.422 10.687 9.482 1.00 0.00 N ATOM 120 CA ILE A1075 12.774 11.166 9.681 1.00 0.00 C ATOM 121 C ILE A1075 12.766 12.365 10.602 1.00 0.00 C ATOM 122 O ILE A1075 13.809 12.910 10.968 1.00 0.00 O ATOM 123 CB ILE A1075 13.450 11.521 8.347 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.575 12.442 7.498 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.776 10.253 7.580 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.242 12.882 6.208 1.00 0.00 C ATOM 0 H ILE A1075 10.900 11.178 8.756 1.00 0.00 H new ATOM 0 HA ILE A1075 13.352 10.364 10.140 1.00 0.00 H new ATOM 0 HB ILE A1075 14.372 12.057 8.570 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.643 11.929 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.313 13.324 8.083 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.255 10.512 6.636 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.451 9.634 8.171 1.00 0.00 H new ATOM 0 HG23 ILE A1075 12.857 9.701 7.382 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.567 13.534 5.653 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.160 13.423 6.439 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.479 12.006 5.604 1.00 0.00 H new ATOM 138 N TYR A1076 11.561 12.759 10.963 1.00 0.00 N ATOM 139 CA TYR A1076 11.330 13.838 11.899 1.00 0.00 C ATOM 140 C TYR A1076 10.189 13.476 12.831 1.00 0.00 C ATOM 141 O TYR A1076 9.614 12.392 12.730 1.00 0.00 O ATOM 142 CB TYR A1076 10.960 15.119 11.159 1.00 0.00 C ATOM 143 CG TYR A1076 12.038 15.664 10.259 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.017 16.499 10.760 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.049 15.376 8.900 1.00 0.00 C ATOM 146 CE1 TYR A1076 13.986 17.027 9.930 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.005 15.907 8.065 1.00 0.00 C ATOM 148 CZ TYR A1076 13.969 16.731 8.581 1.00 0.00 C ATOM 149 OH TYR A1076 14.918 17.271 7.747 1.00 0.00 O ATOM 0 H TYR A1076 10.705 12.332 10.609 1.00 0.00 H new ATOM 0 HA TYR A1076 12.247 13.996 12.467 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.068 14.932 10.561 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.698 15.882 11.892 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.025 16.742 11.812 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.293 14.723 8.491 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.755 17.669 10.334 1.00 0.00 H new ATOM 0 HE2 TYR A1076 12.995 15.675 7.010 1.00 0.00 H new ATOM 0 HH TYR A1076 15.790 17.260 8.194 1.00 0.00 H new ATOM 159 N ASP A1077 9.863 14.392 13.730 1.00 0.00 N ATOM 160 CA ASP A1077 8.710 14.222 14.606 1.00 0.00 C ATOM 161 C ASP A1077 7.681 15.306 14.321 1.00 0.00 C ATOM 162 O ASP A1077 8.025 16.477 14.166 1.00 0.00 O ATOM 163 CB ASP A1077 9.114 14.237 16.092 1.00 0.00 C ATOM 164 CG ASP A1077 9.674 15.568 16.565 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.908 15.758 16.480 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.894 16.416 17.052 1.00 0.00 O ATOM 0 H ASP A1077 10.379 15.260 13.873 1.00 0.00 H new ATOM 0 HA ASP A1077 8.271 13.246 14.400 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.244 13.985 16.697 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.858 13.459 16.264 1.00 0.00 H new ATOM 171 N CYS A1078 6.423 14.906 14.238 1.00 0.00 N ATOM 172 CA CYS A1078 5.345 15.823 13.902 1.00 0.00 C ATOM 173 C CYS A1078 4.121 15.515 14.741 1.00 0.00 C ATOM 174 O CYS A1078 3.878 14.363 15.097 1.00 0.00 O ATOM 175 CB CYS A1078 4.985 15.721 12.420 1.00 0.00 C ATOM 176 SG CYS A1078 3.559 16.720 11.932 1.00 0.00 S ATOM 0 H CYS A1078 6.121 13.945 14.400 1.00 0.00 H new ATOM 0 HA CYS A1078 5.685 16.837 14.110 1.00 0.00 H new ATOM 0 HB2 CYS A1078 5.847 16.025 11.827 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.783 14.678 12.178 1.00 0.00 H new ATOM 0 HG CYS A1078 2.724 15.985 11.259 1.00 0.00 H new ATOM 182 N GLN A1079 3.349 16.537 15.043 1.00 0.00 N ATOM 183 CA GLN A1079 2.165 16.361 15.872 1.00 0.00 C ATOM 184 C GLN A1079 0.917 16.934 15.215 1.00 0.00 C ATOM 185 O GLN A1079 0.957 17.958 14.528 1.00 0.00 O ATOM 186 CB GLN A1079 2.405 16.962 17.255 1.00 0.00 C ATOM 187 CG GLN A1079 1.168 17.065 18.131 1.00 0.00 C ATOM 188 CD GLN A1079 1.514 17.405 19.565 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.572 17.023 20.063 1.00 0.00 O ATOM 190 NE2 GLN A1079 0.642 18.143 20.232 1.00 0.00 N ATOM 0 H GLN A1079 3.514 17.494 14.732 1.00 0.00 H new ATOM 0 HA GLN A1079 1.984 15.292 15.986 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.150 16.358 17.773 1.00 0.00 H new ATOM 0 HB3 GLN A1079 2.830 17.958 17.133 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.501 17.828 17.728 1.00 0.00 H new ATOM 0 HG3 GLN A1079 0.625 16.120 18.104 1.00 0.00 H new ATOM 0 HE21 GLN A1079 -0.224 18.440 19.783 1.00 0.00 H new ATOM 0 HE22 GLN A1079 0.836 18.416 21.196 1.00 0.00 H new ATOM 199 N ALA A1080 -0.183 16.229 15.430 1.00 0.00 N ATOM 200 CA ALA A1080 -1.467 16.529 14.808 1.00 0.00 C ATOM 201 C ALA A1080 -2.121 17.778 15.390 1.00 0.00 C ATOM 202 O ALA A1080 -2.039 18.042 16.589 1.00 0.00 O ATOM 203 CB ALA A1080 -2.396 15.343 14.989 1.00 0.00 C ATOM 0 H ALA A1080 -0.211 15.420 16.050 1.00 0.00 H new ATOM 0 HA ALA A1080 -1.284 16.721 13.751 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.358 15.561 14.526 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.958 14.463 14.519 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.540 15.152 16.053 1.00 0.00 H new ATOM 209 N ASP A1081 -2.772 18.536 14.514 1.00 0.00 N ATOM 210 CA ASP A1081 -3.592 19.676 14.918 1.00 0.00 C ATOM 211 C ASP A1081 -5.021 19.213 15.133 1.00 0.00 C ATOM 212 O ASP A1081 -5.674 19.574 16.110 1.00 0.00 O ATOM 213 CB ASP A1081 -3.586 20.764 13.839 1.00 0.00 C ATOM 214 CG ASP A1081 -2.245 21.445 13.683 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.291 20.784 13.227 1.00 0.00 O ATOM 216 OD2 ASP A1081 -2.144 22.645 14.004 1.00 0.00 O ATOM 0 H ASP A1081 -2.747 18.379 13.506 1.00 0.00 H new ATOM 0 HA ASP A1081 -3.179 20.088 15.839 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -3.874 20.322 12.885 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -4.340 21.513 14.084 1.00 0.00 H new ATOM 221 N ASN A1082 -5.493 18.400 14.199 1.00 0.00 N ATOM 222 CA ASN A1082 -6.846 17.877 14.246 1.00 0.00 C ATOM 223 C ASN A1082 -6.792 16.358 14.350 1.00 0.00 C ATOM 224 O ASN A1082 -5.712 15.778 14.252 1.00 0.00 O ATOM 225 CB ASN A1082 -7.628 18.290 12.995 1.00 0.00 C ATOM 226 CG ASN A1082 -7.434 19.753 12.636 1.00 0.00 C ATOM 227 OD1 ASN A1082 -6.515 20.093 11.890 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.289 20.618 13.149 1.00 0.00 N ATOM 0 H ASN A1082 -4.951 18.087 13.393 1.00 0.00 H new ATOM 0 HA ASN A1082 -7.356 18.287 15.118 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -7.315 17.670 12.155 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -8.689 18.097 13.155 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -8.202 21.611 12.931 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -9.036 20.294 13.763 1.00 0.00 H new ATOM 235 N ASP A1083 -7.936 15.710 14.513 1.00 0.00 N ATOM 236 CA ASP A1083 -7.964 14.256 14.698 1.00 0.00 C ATOM 237 C ASP A1083 -7.553 13.515 13.424 1.00 0.00 C ATOM 238 O ASP A1083 -6.961 12.437 13.485 1.00 0.00 O ATOM 239 CB ASP A1083 -9.358 13.798 15.130 1.00 0.00 C ATOM 240 CG ASP A1083 -9.416 12.307 15.413 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.657 11.525 14.471 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.229 11.910 16.580 1.00 0.00 O ATOM 0 H ASP A1083 -8.852 16.158 14.522 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.243 14.016 15.480 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.657 14.346 16.023 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -10.077 14.045 14.349 1.00 0.00 H new ATOM 247 N ASP A1084 -7.836 14.123 12.276 1.00 0.00 N ATOM 248 CA ASP A1084 -7.626 13.473 10.980 1.00 0.00 C ATOM 249 C ASP A1084 -6.147 13.448 10.600 1.00 0.00 C ATOM 250 O ASP A1084 -5.745 12.767 9.658 1.00 0.00 O ATOM 251 CB ASP A1084 -8.449 14.195 9.905 1.00 0.00 C ATOM 252 CG ASP A1084 -8.297 13.597 8.517 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.608 12.401 8.338 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.878 14.334 7.597 1.00 0.00 O ATOM 0 H ASP A1084 -8.213 15.069 12.214 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.959 12.438 11.055 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.501 14.171 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -8.151 15.243 9.874 1.00 0.00 H new ATOM 259 N GLU A1085 -5.334 14.181 11.343 1.00 0.00 N ATOM 260 CA GLU A1085 -3.901 14.215 11.086 1.00 0.00 C ATOM 261 C GLU A1085 -3.241 12.969 11.676 1.00 0.00 C ATOM 262 O GLU A1085 -3.917 12.086 12.201 1.00 0.00 O ATOM 263 CB GLU A1085 -3.275 15.460 11.708 1.00 0.00 C ATOM 264 CG GLU A1085 -4.031 16.746 11.429 1.00 0.00 C ATOM 265 CD GLU A1085 -3.728 17.350 10.075 1.00 0.00 C ATOM 266 OE1 GLU A1085 -2.675 18.002 9.945 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.568 17.218 9.155 1.00 0.00 O ATOM 0 H GLU A1085 -5.639 14.759 12.126 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.743 14.240 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.208 15.318 12.787 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -2.256 15.564 11.337 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -5.101 16.550 11.498 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -3.790 17.474 12.204 1.00 0.00 H new ATOM 274 N LEU A1086 -1.923 12.906 11.599 1.00 0.00 N ATOM 275 CA LEU A1086 -1.179 11.782 12.161 1.00 0.00 C ATOM 276 C LEU A1086 0.059 12.270 12.909 1.00 0.00 C ATOM 277 O LEU A1086 0.996 12.805 12.307 1.00 0.00 O ATOM 278 CB LEU A1086 -0.794 10.788 11.052 1.00 0.00 C ATOM 279 CG LEU A1086 -0.121 9.487 11.522 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.687 8.287 10.790 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.372 9.542 11.289 1.00 0.00 C ATOM 0 H LEU A1086 -1.343 13.617 11.154 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.820 11.267 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.694 10.528 10.495 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.122 11.291 10.356 1.00 0.00 H new ATOM 0 HG LEU A1086 -0.321 9.385 12.589 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.194 7.381 11.141 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.758 8.215 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -0.517 8.401 9.719 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.828 8.612 11.629 1.00 0.00 H new ATOM 0 HD22 LEU A1086 1.570 9.676 10.225 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.796 10.378 11.845 1.00 0.00 H new ATOM 293 N THR A1087 0.038 12.115 14.225 1.00 0.00 N ATOM 294 CA THR A1087 1.192 12.428 15.055 1.00 0.00 C ATOM 295 C THR A1087 2.195 11.281 15.010 1.00 0.00 C ATOM 296 O THR A1087 1.865 10.140 15.333 1.00 0.00 O ATOM 297 CB THR A1087 0.785 12.694 16.525 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.184 13.747 16.585 1.00 0.00 O ATOM 299 CG2 THR A1087 1.994 13.055 17.381 1.00 0.00 C ATOM 0 H THR A1087 -0.771 11.772 14.743 1.00 0.00 H new ATOM 0 HA THR A1087 1.646 13.335 14.656 1.00 0.00 H new ATOM 0 HB THR A1087 0.350 11.777 16.922 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.436 13.907 17.518 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.673 13.235 18.407 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.710 12.233 17.364 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.465 13.955 16.985 1.00 0.00 H new ATOM 307 N PHE A1088 3.412 11.587 14.598 1.00 0.00 N ATOM 308 CA PHE A1088 4.466 10.590 14.540 1.00 0.00 C ATOM 309 C PHE A1088 5.757 11.153 15.111 1.00 0.00 C ATOM 310 O PHE A1088 5.976 12.364 15.099 1.00 0.00 O ATOM 311 CB PHE A1088 4.685 10.090 13.098 1.00 0.00 C ATOM 312 CG PHE A1088 5.085 11.151 12.093 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.315 11.786 12.174 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.233 11.501 11.058 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.681 12.743 11.251 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.596 12.457 10.134 1.00 0.00 C ATOM 317 CZ PHE A1088 5.818 13.079 10.231 1.00 0.00 C ATOM 0 H PHE A1088 3.695 12.520 14.298 1.00 0.00 H new ATOM 0 HA PHE A1088 4.157 9.737 15.145 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.456 9.319 13.112 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.766 9.616 12.753 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.996 11.527 12.971 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.271 11.018 10.974 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.643 13.228 11.328 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.920 12.718 9.333 1.00 0.00 H new ATOM 0 HZ PHE A1088 6.101 13.830 9.509 1.00 0.00 H new ATOM 327 N ILE A1089 6.604 10.283 15.626 1.00 0.00 N ATOM 328 CA ILE A1089 7.910 10.706 16.093 1.00 0.00 C ATOM 329 C ILE A1089 8.982 10.020 15.273 1.00 0.00 C ATOM 330 O ILE A1089 8.721 8.996 14.643 1.00 0.00 O ATOM 331 CB ILE A1089 8.141 10.436 17.607 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.368 8.942 17.901 1.00 0.00 C ATOM 333 CG2 ILE A1089 6.970 10.967 18.424 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.174 8.055 17.626 1.00 0.00 C ATOM 0 H ILE A1089 6.414 9.286 15.731 1.00 0.00 H new ATOM 0 HA ILE A1089 7.962 11.787 15.964 1.00 0.00 H new ATOM 0 HB ILE A1089 9.049 10.965 17.897 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.209 8.592 17.303 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.653 8.831 18.947 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.146 10.771 19.482 1.00 0.00 H new ATOM 0 HG22 ILE A1089 6.873 12.041 18.265 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.052 10.470 18.110 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.427 7.021 17.862 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.334 8.373 18.244 1.00 0.00 H new ATOM 0 HD13 ILE A1089 6.899 8.130 16.574 1.00 0.00 H new ATOM 346 N GLU A1090 10.170 10.602 15.263 1.00 0.00 N ATOM 347 CA GLU A1090 11.278 10.084 14.473 1.00 0.00 C ATOM 348 C GLU A1090 11.551 8.621 14.828 1.00 0.00 C ATOM 349 O GLU A1090 11.792 8.293 15.989 1.00 0.00 O ATOM 350 CB GLU A1090 12.523 10.945 14.714 1.00 0.00 C ATOM 351 CG GLU A1090 13.673 10.676 13.757 1.00 0.00 C ATOM 352 CD GLU A1090 14.479 9.448 14.120 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.196 9.480 15.142 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.424 8.451 13.377 1.00 0.00 O ATOM 0 H GLU A1090 10.394 11.441 15.798 1.00 0.00 H new ATOM 0 HA GLU A1090 11.017 10.128 13.416 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.242 11.996 14.638 1.00 0.00 H new ATOM 0 HB3 GLU A1090 12.870 10.781 15.734 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.277 10.557 12.748 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.333 11.543 13.740 1.00 0.00 H new ATOM 361 N GLY A1091 11.507 7.750 13.825 1.00 0.00 N ATOM 362 CA GLY A1091 11.754 6.337 14.055 1.00 0.00 C ATOM 363 C GLY A1091 10.552 5.473 13.730 1.00 0.00 C ATOM 364 O GLY A1091 10.650 4.245 13.693 1.00 0.00 O ATOM 0 H GLY A1091 11.305 7.997 12.856 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.601 6.017 13.448 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.034 6.186 15.098 1.00 0.00 H new ATOM 368 N GLU A1092 9.423 6.117 13.482 1.00 0.00 N ATOM 369 CA GLU A1092 8.202 5.416 13.107 1.00 0.00 C ATOM 370 C GLU A1092 8.201 5.083 11.621 1.00 0.00 C ATOM 371 O GLU A1092 8.835 5.766 10.815 1.00 0.00 O ATOM 372 CB GLU A1092 6.969 6.259 13.447 1.00 0.00 C ATOM 373 CG GLU A1092 6.506 6.122 14.883 1.00 0.00 C ATOM 374 CD GLU A1092 5.801 4.807 15.158 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.416 3.739 14.962 1.00 0.00 O ATOM 376 OE2 GLU A1092 4.622 4.838 15.571 1.00 0.00 O ATOM 0 H GLU A1092 9.325 7.131 13.534 1.00 0.00 H new ATOM 0 HA GLU A1092 8.165 4.486 13.675 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.191 7.307 13.246 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.152 5.974 12.784 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.366 6.212 15.546 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.833 6.945 15.122 1.00 0.00 H new ATOM 383 N VAL A1093 7.487 4.032 11.266 1.00 0.00 N ATOM 384 CA VAL A1093 7.335 3.646 9.869 1.00 0.00 C ATOM 385 C VAL A1093 5.868 3.687 9.488 1.00 0.00 C ATOM 386 O VAL A1093 5.033 3.084 10.154 1.00 0.00 O ATOM 387 CB VAL A1093 7.894 2.237 9.582 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.712 1.877 8.112 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.361 2.149 9.973 1.00 0.00 C ATOM 0 H VAL A1093 7.000 3.426 11.926 1.00 0.00 H new ATOM 0 HA VAL A1093 7.908 4.356 9.273 1.00 0.00 H new ATOM 0 HB VAL A1093 7.336 1.521 10.185 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.112 0.880 7.929 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.651 1.893 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.242 2.600 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.734 1.147 9.762 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.935 2.878 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.467 2.359 11.037 1.00 0.00 H new ATOM 399 N ILE A1094 5.553 4.395 8.419 1.00 0.00 N ATOM 400 CA ILE A1094 4.167 4.574 8.027 1.00 0.00 C ATOM 401 C ILE A1094 3.884 3.900 6.694 1.00 0.00 C ATOM 402 O ILE A1094 4.665 4.015 5.746 1.00 0.00 O ATOM 403 CB ILE A1094 3.793 6.066 7.919 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.302 6.837 9.138 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.284 6.217 7.792 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.065 8.328 9.057 1.00 0.00 C ATOM 0 H ILE A1094 6.232 4.852 7.811 1.00 0.00 H new ATOM 0 HA ILE A1094 3.561 4.112 8.806 1.00 0.00 H new ATOM 0 HB ILE A1094 4.266 6.480 7.029 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.814 6.449 10.032 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.370 6.654 9.253 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.029 7.274 7.716 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.940 5.696 6.898 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.800 5.789 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.452 8.807 9.956 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.576 8.731 8.182 1.00 0.00 H new ATOM 0 HD13 ILE A1094 2.996 8.522 8.974 1.00 0.00 H new ATOM 418 N ILE A1095 2.771 3.187 6.635 1.00 0.00 N ATOM 419 CA ILE A1095 2.298 2.608 5.393 1.00 0.00 C ATOM 420 C ILE A1095 1.324 3.572 4.736 1.00 0.00 C ATOM 421 O ILE A1095 0.281 3.896 5.312 1.00 0.00 O ATOM 422 CB ILE A1095 1.600 1.250 5.622 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.562 0.262 6.286 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.076 0.685 4.309 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.829 0.017 5.492 1.00 0.00 C ATOM 0 H ILE A1095 2.176 2.996 7.441 1.00 0.00 H new ATOM 0 HA ILE A1095 3.160 2.435 4.749 1.00 0.00 H new ATOM 0 HB ILE A1095 0.751 1.408 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.830 0.638 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.048 -0.688 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.588 -0.272 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.358 1.381 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.906 0.541 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.461 -0.693 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.572 -0.389 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.366 0.957 5.365 1.00 0.00 H new ATOM 437 N VAL A1096 1.672 4.042 3.550 1.00 0.00 N ATOM 438 CA VAL A1096 0.864 5.028 2.852 1.00 0.00 C ATOM 439 C VAL A1096 -0.337 4.362 2.191 1.00 0.00 C ATOM 440 O VAL A1096 -0.187 3.530 1.294 1.00 0.00 O ATOM 441 CB VAL A1096 1.692 5.781 1.787 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.857 6.849 1.102 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.936 6.399 2.408 1.00 0.00 C ATOM 0 H VAL A1096 2.513 3.755 3.048 1.00 0.00 H new ATOM 0 HA VAL A1096 0.515 5.750 3.591 1.00 0.00 H new ATOM 0 HB VAL A1096 2.004 5.057 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.464 7.364 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.001 6.384 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.506 7.567 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.504 6.924 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.643 7.103 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.554 5.614 2.843 1.00 0.00 H new ATOM 453 N THR A1097 -1.522 4.724 2.652 1.00 0.00 N ATOM 454 CA THR A1097 -2.754 4.168 2.130 1.00 0.00 C ATOM 455 C THR A1097 -3.460 5.166 1.221 1.00 0.00 C ATOM 456 O THR A1097 -4.400 4.814 0.502 1.00 0.00 O ATOM 457 CB THR A1097 -3.698 3.762 3.279 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.720 4.792 4.274 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.256 2.452 3.912 1.00 0.00 C ATOM 0 H THR A1097 -1.655 5.409 3.396 1.00 0.00 H new ATOM 0 HA THR A1097 -2.496 3.283 1.549 1.00 0.00 H new ATOM 0 HB THR A1097 -4.698 3.626 2.867 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.322 4.531 5.002 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.939 2.189 4.719 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.263 1.664 3.159 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.248 2.563 4.311 1.00 0.00 H new ATOM 467 N GLY A1098 -3.002 6.413 1.249 1.00 0.00 N ATOM 468 CA GLY A1098 -3.608 7.447 0.438 1.00 0.00 C ATOM 469 C GLY A1098 -2.746 8.688 0.354 1.00 0.00 C ATOM 470 O GLY A1098 -1.654 8.733 0.915 1.00 0.00 O ATOM 0 H GLY A1098 -2.218 6.725 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.785 7.061 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.580 7.710 0.855 1.00 0.00 H new ATOM 474 N GLU A1099 -3.238 9.699 -0.339 1.00 0.00 N ATOM 475 CA GLU A1099 -2.496 10.934 -0.535 1.00 0.00 C ATOM 476 C GLU A1099 -3.459 12.110 -0.612 1.00 0.00 C ATOM 477 O GLU A1099 -4.433 12.080 -1.362 1.00 0.00 O ATOM 478 CB GLU A1099 -1.654 10.823 -1.807 1.00 0.00 C ATOM 479 CG GLU A1099 -1.025 12.119 -2.279 1.00 0.00 C ATOM 480 CD GLU A1099 -0.264 11.926 -3.571 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.192 10.791 -3.831 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.139 12.893 -4.351 1.00 0.00 O ATOM 0 H GLU A1099 -4.158 9.689 -0.780 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.827 11.102 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.862 10.094 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.282 10.430 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -1.801 12.871 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.351 12.498 -1.511 1.00 0.00 H new ATOM 489 N GLU A1100 -3.178 13.137 0.171 1.00 0.00 N ATOM 490 CA GLU A1100 -4.040 14.305 0.251 1.00 0.00 C ATOM 491 C GLU A1100 -3.420 15.454 -0.533 1.00 0.00 C ATOM 492 O GLU A1100 -4.057 16.059 -1.393 1.00 0.00 O ATOM 493 CB GLU A1100 -4.223 14.706 1.717 1.00 0.00 C ATOM 494 CG GLU A1100 -5.039 15.967 1.917 1.00 0.00 C ATOM 495 CD GLU A1100 -6.507 15.777 1.605 1.00 0.00 C ATOM 496 OE1 GLU A1100 -6.876 15.767 0.414 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.301 15.658 2.557 1.00 0.00 O ATOM 0 H GLU A1100 -2.351 13.186 0.766 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.014 14.069 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -4.705 13.886 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -3.241 14.846 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -4.933 16.302 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -4.638 16.757 1.283 1.00 0.00 H new ATOM 504 N ASP A1101 -2.165 15.727 -0.232 1.00 0.00 N ATOM 505 CA ASP A1101 -1.418 16.794 -0.872 1.00 0.00 C ATOM 506 C ASP A1101 -0.009 16.294 -1.157 1.00 0.00 C ATOM 507 O ASP A1101 0.332 15.176 -0.772 1.00 0.00 O ATOM 508 CB ASP A1101 -1.385 18.035 0.039 1.00 0.00 C ATOM 509 CG ASP A1101 -0.714 19.244 -0.590 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.397 20.010 -1.298 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.499 19.435 -0.370 1.00 0.00 O ATOM 0 H ASP A1101 -1.631 15.212 0.468 1.00 0.00 H new ATOM 0 HA ASP A1101 -1.897 17.080 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.406 18.300 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.864 17.782 0.962 1.00 0.00 H new ATOM 516 N GLN A1102 0.798 17.099 -1.816 1.00 0.00 N ATOM 517 CA GLN A1102 2.180 16.736 -2.087 1.00 0.00 C ATOM 518 C GLN A1102 2.927 16.533 -0.772 1.00 0.00 C ATOM 519 O GLN A1102 3.733 15.614 -0.634 1.00 0.00 O ATOM 520 CB GLN A1102 2.862 17.824 -2.921 1.00 0.00 C ATOM 521 CG GLN A1102 4.336 17.559 -3.174 1.00 0.00 C ATOM 522 CD GLN A1102 4.995 18.649 -3.994 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.586 19.811 -3.955 1.00 0.00 O ATOM 524 NE2 GLN A1102 6.025 18.282 -4.733 1.00 0.00 N ATOM 0 H GLN A1102 0.523 18.013 -2.176 1.00 0.00 H new ATOM 0 HA GLN A1102 2.197 15.805 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A1102 2.348 17.913 -3.878 1.00 0.00 H new ATOM 0 HB3 GLN A1102 2.755 18.782 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.853 17.466 -2.219 1.00 0.00 H new ATOM 0 HG3 GLN A1102 4.446 16.605 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A1102 6.330 17.309 -4.735 1.00 0.00 H new ATOM 0 HE22 GLN A1102 6.516 18.972 -5.302 1.00 0.00 H new ATOM 533 N GLU A1103 2.621 17.381 0.203 1.00 0.00 N ATOM 534 CA GLU A1103 3.293 17.337 1.493 1.00 0.00 C ATOM 535 C GLU A1103 2.446 16.641 2.538 1.00 0.00 C ATOM 536 O GLU A1103 2.779 16.660 3.716 1.00 0.00 O ATOM 537 CB GLU A1103 3.599 18.748 1.967 1.00 0.00 C ATOM 538 CG GLU A1103 4.516 19.491 1.034 1.00 0.00 C ATOM 539 CD GLU A1103 5.974 19.365 1.417 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.385 19.980 2.423 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.713 18.656 0.707 1.00 0.00 O ATOM 0 H GLU A1103 1.910 18.108 0.123 1.00 0.00 H new ATOM 0 HA GLU A1103 4.217 16.774 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A1103 2.666 19.302 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A1103 4.054 18.703 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.378 19.114 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A1103 4.238 20.545 1.023 1.00 0.00 H new ATOM 548 N TRP A1104 1.345 16.046 2.121 1.00 0.00 N ATOM 549 CA TRP A1104 0.431 15.425 3.065 1.00 0.00 C ATOM 550 C TRP A1104 -0.144 14.132 2.521 1.00 0.00 C ATOM 551 O TRP A1104 -1.053 14.141 1.694 1.00 0.00 O ATOM 552 CB TRP A1104 -0.690 16.395 3.435 1.00 0.00 C ATOM 553 CG TRP A1104 -0.216 17.536 4.280 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.233 18.755 3.849 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.122 17.558 5.709 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.577 19.525 4.921 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.371 18.821 6.070 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.417 16.640 6.719 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.577 19.190 7.389 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.208 17.007 8.033 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.282 18.275 8.356 1.00 0.00 C ATOM 0 H TRP A1104 1.062 15.979 1.143 1.00 0.00 H new ATOM 0 HA TRP A1104 0.998 15.180 3.963 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.140 16.787 2.523 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.471 15.854 3.969 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.304 19.061 2.816 1.00 0.00 H new ATOM 0 HE1 TRP A1104 0.933 20.479 4.871 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.802 15.660 6.476 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 0.958 20.168 7.643 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.426 16.304 8.823 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.430 18.536 9.393 1.00 0.00 H new ATOM 572 N TRP A1105 0.392 13.022 2.987 1.00 0.00 N ATOM 573 CA TRP A1105 -0.085 11.717 2.569 1.00 0.00 C ATOM 574 C TRP A1105 -0.881 11.079 3.689 1.00 0.00 C ATOM 575 O TRP A1105 -0.805 11.513 4.836 1.00 0.00 O ATOM 576 CB TRP A1105 1.084 10.821 2.153 1.00 0.00 C ATOM 577 CG TRP A1105 1.730 11.274 0.881 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.410 12.388 0.169 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.800 10.640 0.176 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.198 12.487 -0.943 1.00 0.00 N ATOM 581 CE2 TRP A1105 3.071 11.429 -0.963 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.555 9.486 0.392 1.00 0.00 C ATOM 583 CZ2 TRP A1105 4.066 11.094 -1.877 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.543 9.159 -0.515 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.793 9.961 -1.636 1.00 0.00 C ATOM 0 H TRP A1105 1.160 12.997 3.657 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.735 11.840 1.703 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.828 10.807 2.949 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.728 9.798 2.031 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.641 13.095 0.444 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.146 13.227 -1.644 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.370 8.861 1.253 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.257 11.707 -2.745 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 5.134 8.269 -0.357 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.576 9.679 -2.324 1.00 0.00 H new ATOM 596 N ILE A1106 -1.638 10.058 3.354 1.00 0.00 N ATOM 597 CA ILE A1106 -2.519 9.420 4.313 1.00 0.00 C ATOM 598 C ILE A1106 -2.076 7.993 4.544 1.00 0.00 C ATOM 599 O ILE A1106 -1.733 7.285 3.597 1.00 0.00 O ATOM 600 CB ILE A1106 -3.976 9.413 3.809 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.410 10.825 3.415 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.905 8.848 4.875 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.769 10.876 2.757 1.00 0.00 C ATOM 0 H ILE A1106 -1.663 9.648 2.420 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.469 9.986 5.243 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.035 8.775 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.422 11.454 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.670 11.248 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.930 8.850 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.607 7.827 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.844 9.462 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.012 11.908 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.756 10.273 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.520 10.483 3.442 1.00 0.00 H new ATOM 615 N GLY A1107 -2.053 7.574 5.790 1.00 0.00 N ATOM 616 CA GLY A1107 -1.690 6.211 6.073 1.00 0.00 C ATOM 617 C GLY A1107 -1.768 5.873 7.535 1.00 0.00 C ATOM 618 O GLY A1107 -2.454 6.546 8.307 1.00 0.00 O ATOM 0 H GLY A1107 -2.277 8.146 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.347 5.543 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.676 6.030 5.718 1.00 0.00 H new ATOM 622 N HIS A1108 -1.054 4.833 7.912 1.00 0.00 N ATOM 623 CA HIS A1108 -1.047 4.358 9.283 1.00 0.00 C ATOM 624 C HIS A1108 0.287 3.698 9.584 1.00 0.00 C ATOM 625 O HIS A1108 0.936 3.169 8.679 1.00 0.00 O ATOM 626 CB HIS A1108 -2.204 3.378 9.535 1.00 0.00 C ATOM 627 CG HIS A1108 -2.179 2.130 8.699 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.016 1.925 7.625 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.438 1.004 8.812 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.794 0.725 7.120 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.838 0.142 7.822 1.00 0.00 N ATOM 0 H HIS A1108 -0.463 4.293 7.280 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.185 5.210 9.949 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.194 3.092 10.587 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.145 3.898 9.355 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.670 0.817 9.548 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.308 0.292 6.274 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.461 -0.791 7.656 1.00 0.00 H new ATOM 640 N ILE A1109 0.694 3.738 10.841 1.00 0.00 N ATOM 641 CA ILE A1109 1.965 3.155 11.248 1.00 0.00 C ATOM 642 C ILE A1109 1.978 1.656 10.963 1.00 0.00 C ATOM 643 O ILE A1109 1.008 0.961 11.268 1.00 0.00 O ATOM 644 CB ILE A1109 2.256 3.398 12.747 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.203 4.897 13.072 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.604 2.808 13.139 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.176 5.749 12.286 1.00 0.00 C ATOM 0 H ILE A1109 0.164 4.168 11.599 1.00 0.00 H new ATOM 0 HA ILE A1109 2.746 3.646 10.667 1.00 0.00 H new ATOM 0 HB ILE A1109 1.484 2.895 13.330 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.192 5.260 12.887 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.400 5.032 14.136 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.787 2.991 14.198 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.599 1.734 12.952 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.392 3.276 12.548 1.00 0.00 H new ATOM 0 HD11 ILE A1109 3.067 6.792 12.582 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.195 5.419 12.489 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.968 5.650 11.221 1.00 0.00 H new ATOM 659 N GLU A1110 3.056 1.176 10.362 1.00 0.00 N ATOM 660 CA GLU A1110 3.144 -0.207 9.894 1.00 0.00 C ATOM 661 C GLU A1110 2.752 -1.203 10.985 1.00 0.00 C ATOM 662 O GLU A1110 1.793 -1.965 10.822 1.00 0.00 O ATOM 663 CB GLU A1110 4.560 -0.496 9.390 1.00 0.00 C ATOM 664 CG GLU A1110 4.739 -1.890 8.808 1.00 0.00 C ATOM 665 CD GLU A1110 6.088 -2.069 8.145 1.00 0.00 C ATOM 666 OE1 GLU A1110 7.109 -2.127 8.863 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.139 -2.138 6.900 1.00 0.00 O ATOM 0 H GLU A1110 3.894 1.729 10.183 1.00 0.00 H new ATOM 0 HA GLU A1110 2.436 -0.329 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.821 0.240 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.261 -0.365 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.626 -2.629 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.951 -2.081 8.080 1.00 0.00 H new ATOM 674 N GLY A1111 3.475 -1.175 12.096 1.00 0.00 N ATOM 675 CA GLY A1111 3.217 -2.113 13.172 1.00 0.00 C ATOM 676 C GLY A1111 2.191 -1.612 14.170 1.00 0.00 C ATOM 677 O GLY A1111 1.939 -2.260 15.186 1.00 0.00 O ATOM 0 H GLY A1111 4.236 -0.519 12.272 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.871 -3.056 12.748 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.150 -2.322 13.695 1.00 0.00 H new ATOM 681 N GLN A1112 1.591 -0.466 13.884 1.00 0.00 N ATOM 682 CA GLN A1112 0.583 0.111 14.767 1.00 0.00 C ATOM 683 C GLN A1112 -0.458 0.871 13.946 1.00 0.00 C ATOM 684 O GLN A1112 -0.429 2.100 13.847 1.00 0.00 O ATOM 685 CB GLN A1112 1.247 1.017 15.806 1.00 0.00 C ATOM 686 CG GLN A1112 0.278 1.613 16.813 1.00 0.00 C ATOM 687 CD GLN A1112 0.980 2.201 18.017 1.00 0.00 C ATOM 688 OE1 GLN A1112 0.421 2.254 19.112 1.00 0.00 O ATOM 689 NE2 GLN A1112 2.215 2.638 17.833 1.00 0.00 N ATOM 0 H GLN A1112 1.783 0.085 13.047 1.00 0.00 H new ATOM 0 HA GLN A1112 0.071 -0.689 15.301 1.00 0.00 H new ATOM 0 HB2 GLN A1112 2.005 0.445 16.341 1.00 0.00 H new ATOM 0 HB3 GLN A1112 1.763 1.827 15.290 1.00 0.00 H new ATOM 0 HG2 GLN A1112 -0.314 2.389 16.327 1.00 0.00 H new ATOM 0 HG3 GLN A1112 -0.417 0.841 17.143 1.00 0.00 H new ATOM 0 HE21 GLN A1112 2.645 2.577 16.910 1.00 0.00 H new ATOM 0 HE22 GLN A1112 2.737 3.036 18.614 1.00 0.00 H new ATOM 698 N PRO A1113 -1.394 0.122 13.342 1.00 0.00 N ATOM 699 CA PRO A1113 -2.378 0.654 12.386 1.00 0.00 C ATOM 700 C PRO A1113 -3.314 1.722 12.950 1.00 0.00 C ATOM 701 O PRO A1113 -3.811 2.558 12.196 1.00 0.00 O ATOM 702 CB PRO A1113 -3.184 -0.582 11.975 1.00 0.00 C ATOM 703 CG PRO A1113 -2.304 -1.736 12.302 1.00 0.00 C ATOM 704 CD PRO A1113 -1.556 -1.327 13.531 1.00 0.00 C ATOM 0 HA PRO A1113 -1.867 1.165 11.570 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.127 -0.638 12.518 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.429 -0.560 10.913 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.889 -2.638 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.621 -1.955 11.481 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.113 -1.557 14.439 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.595 -1.835 13.608 1.00 0.00 H new ATOM 712 N GLU A1114 -3.570 1.708 14.255 1.00 0.00 N ATOM 713 CA GLU A1114 -4.477 2.696 14.835 1.00 0.00 C ATOM 714 C GLU A1114 -3.847 4.075 14.905 1.00 0.00 C ATOM 715 O GLU A1114 -4.540 5.071 15.101 1.00 0.00 O ATOM 716 CB GLU A1114 -4.996 2.265 16.199 1.00 0.00 C ATOM 717 CG GLU A1114 -6.244 1.418 16.082 1.00 0.00 C ATOM 718 CD GLU A1114 -6.969 1.223 17.394 1.00 0.00 C ATOM 719 OE1 GLU A1114 -7.743 2.121 17.790 1.00 0.00 O ATOM 720 OE2 GLU A1114 -6.791 0.167 18.026 1.00 0.00 O ATOM 0 H GLU A1114 -3.174 1.042 14.918 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.333 2.759 14.163 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -4.222 1.702 16.721 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -5.210 3.147 16.802 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -6.923 1.883 15.367 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -5.974 0.443 15.677 1.00 0.00 H new ATOM 727 N ARG A1115 -2.538 4.144 14.743 1.00 0.00 N ATOM 728 CA ARG A1115 -1.906 5.424 14.512 1.00 0.00 C ATOM 729 C ARG A1115 -2.045 5.761 13.041 1.00 0.00 C ATOM 730 O ARG A1115 -1.205 5.388 12.220 1.00 0.00 O ATOM 731 CB ARG A1115 -0.432 5.423 14.921 1.00 0.00 C ATOM 732 CG ARG A1115 -0.196 5.543 16.415 1.00 0.00 C ATOM 733 CD ARG A1115 1.289 5.664 16.722 1.00 0.00 C ATOM 734 NE ARG A1115 1.536 5.926 18.138 1.00 0.00 N ATOM 735 CZ ARG A1115 2.720 5.784 18.736 1.00 0.00 C ATOM 736 NH1 ARG A1115 3.791 5.404 18.049 1.00 0.00 N ATOM 737 NH2 ARG A1115 2.828 6.037 20.032 1.00 0.00 N ATOM 0 H ARG A1115 -1.905 3.345 14.767 1.00 0.00 H new ATOM 0 HA ARG A1115 -2.399 6.176 15.128 1.00 0.00 H new ATOM 0 HB2 ARG A1115 0.031 4.502 14.565 1.00 0.00 H new ATOM 0 HB3 ARG A1115 0.073 6.248 14.418 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -0.724 6.415 16.802 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -0.607 4.671 16.923 1.00 0.00 H new ATOM 0 HD2 ARG A1115 1.796 4.744 16.430 1.00 0.00 H new ATOM 0 HD3 ARG A1115 1.718 6.468 16.124 1.00 0.00 H new ATOM 0 HE ARG A1115 0.750 6.239 18.708 1.00 0.00 H new ATOM 0 HH11 ARG A1115 3.715 5.216 17.049 1.00 0.00 H new ATOM 0 HH12 ARG A1115 4.689 5.300 18.521 1.00 0.00 H new ATOM 0 HH21 ARG A1115 2.010 6.337 20.563 1.00 0.00 H new ATOM 0 HH22 ARG A1115 3.729 5.932 20.499 1.00 0.00 H new ATOM 751 N LYS A1116 -3.130 6.444 12.716 1.00 0.00 N ATOM 752 CA LYS A1116 -3.501 6.683 11.335 1.00 0.00 C ATOM 753 C LYS A1116 -3.981 8.111 11.135 1.00 0.00 C ATOM 754 O LYS A1116 -4.447 8.764 12.071 1.00 0.00 O ATOM 755 CB LYS A1116 -4.601 5.702 10.933 1.00 0.00 C ATOM 756 CG LYS A1116 -5.760 5.685 11.919 1.00 0.00 C ATOM 757 CD LYS A1116 -6.832 4.687 11.532 1.00 0.00 C ATOM 758 CE LYS A1116 -7.932 4.635 12.580 1.00 0.00 C ATOM 759 NZ LYS A1116 -9.067 3.774 12.162 1.00 0.00 N ATOM 0 H LYS A1116 -3.773 6.845 13.398 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.623 6.534 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.975 5.966 9.944 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.179 4.700 10.857 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.384 5.443 12.913 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.199 6.681 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -7.257 4.961 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -6.388 3.698 11.416 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.521 4.261 13.517 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.296 5.644 12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.792 3.769 12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -9.478 4.145 11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.727 2.804 12.004 1.00 0.00 H new ATOM 773 N GLY A1117 -3.860 8.585 9.910 1.00 0.00 N ATOM 774 CA GLY A1117 -4.245 9.935 9.589 1.00 0.00 C ATOM 775 C GLY A1117 -3.397 10.494 8.474 1.00 0.00 C ATOM 776 O GLY A1117 -2.686 9.747 7.793 1.00 0.00 O ATOM 0 H GLY A1117 -3.496 8.049 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.295 9.957 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.147 10.564 10.474 1.00 0.00 H new ATOM 780 N VAL A1118 -3.471 11.796 8.282 1.00 0.00 N ATOM 781 CA VAL A1118 -2.685 12.461 7.261 1.00 0.00 C ATOM 782 C VAL A1118 -1.412 13.046 7.866 1.00 0.00 C ATOM 783 O VAL A1118 -1.458 13.800 8.844 1.00 0.00 O ATOM 784 CB VAL A1118 -3.499 13.569 6.566 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.763 14.095 5.346 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.875 13.046 6.187 1.00 0.00 C ATOM 0 H VAL A1118 -4.071 12.418 8.823 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.412 11.718 6.512 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.624 14.399 7.262 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.357 14.876 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.800 14.505 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.603 13.281 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.442 13.837 5.696 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.768 12.201 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.402 12.725 7.085 1.00 0.00 H new ATOM 796 N PHE A1119 -0.281 12.688 7.280 1.00 0.00 N ATOM 797 CA PHE A1119 1.019 13.072 7.807 1.00 0.00 C ATOM 798 C PHE A1119 1.806 13.875 6.776 1.00 0.00 C ATOM 799 O PHE A1119 1.650 13.677 5.568 1.00 0.00 O ATOM 800 CB PHE A1119 1.805 11.824 8.229 1.00 0.00 C ATOM 801 CG PHE A1119 1.842 10.738 7.188 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.843 9.782 7.139 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.876 10.668 6.264 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.871 8.780 6.194 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.908 9.664 5.313 1.00 0.00 C ATOM 806 CZ PHE A1119 1.902 8.717 5.280 1.00 0.00 C ATOM 0 H PHE A1119 -0.238 12.126 6.430 1.00 0.00 H new ATOM 0 HA PHE A1119 0.865 13.704 8.682 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.827 12.116 8.470 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.365 11.422 9.142 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.031 9.822 7.850 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.664 11.406 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.083 8.042 6.169 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.717 9.620 4.598 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.923 7.930 4.541 1.00 0.00 H new ATOM 816 N PRO A1120 2.660 14.798 7.243 1.00 0.00 N ATOM 817 CA PRO A1120 3.439 15.652 6.365 1.00 0.00 C ATOM 818 C PRO A1120 4.662 14.951 5.788 1.00 0.00 C ATOM 819 O PRO A1120 5.532 14.466 6.515 1.00 0.00 O ATOM 820 CB PRO A1120 3.858 16.808 7.268 1.00 0.00 C ATOM 821 CG PRO A1120 3.901 16.232 8.639 1.00 0.00 C ATOM 822 CD PRO A1120 2.925 15.080 8.665 1.00 0.00 C ATOM 0 HA PRO A1120 2.863 15.962 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.831 17.204 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.147 17.632 7.209 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.907 15.891 8.882 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.631 16.983 9.381 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.347 14.212 9.171 1.00 0.00 H new ATOM 0 HD3 PRO A1120 2.010 15.345 9.196 1.00 0.00 H new ATOM 830 N VAL A1121 4.712 14.932 4.466 1.00 0.00 N ATOM 831 CA VAL A1121 5.826 14.384 3.704 1.00 0.00 C ATOM 832 C VAL A1121 7.127 15.102 4.068 1.00 0.00 C ATOM 833 O VAL A1121 8.217 14.539 3.970 1.00 0.00 O ATOM 834 CB VAL A1121 5.516 14.531 2.199 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.758 14.458 1.327 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.497 13.486 1.770 1.00 0.00 C ATOM 0 H VAL A1121 3.965 15.304 3.879 1.00 0.00 H new ATOM 0 HA VAL A1121 5.955 13.329 3.944 1.00 0.00 H new ATOM 0 HB VAL A1121 5.098 15.527 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.475 14.568 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.444 15.259 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.248 13.495 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.286 13.599 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.897 12.489 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.577 13.620 2.339 1.00 0.00 H new ATOM 846 N SER A1122 6.988 16.337 4.526 1.00 0.00 N ATOM 847 CA SER A1122 8.118 17.149 4.945 1.00 0.00 C ATOM 848 C SER A1122 8.906 16.470 6.068 1.00 0.00 C ATOM 849 O SER A1122 10.119 16.645 6.184 1.00 0.00 O ATOM 850 CB SER A1122 7.596 18.507 5.412 1.00 0.00 C ATOM 851 OG SER A1122 6.361 18.805 4.778 1.00 0.00 O ATOM 0 H SER A1122 6.086 16.804 4.617 1.00 0.00 H new ATOM 0 HA SER A1122 8.797 17.277 4.102 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.465 18.501 6.494 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.326 19.283 5.183 1.00 0.00 H new ATOM 0 HG SER A1122 6.532 19.210 3.902 1.00 0.00 H new ATOM 857 N PHE A1123 8.218 15.667 6.873 1.00 0.00 N ATOM 858 CA PHE A1123 8.828 15.081 8.060 1.00 0.00 C ATOM 859 C PHE A1123 9.092 13.585 7.872 1.00 0.00 C ATOM 860 O PHE A1123 9.562 12.902 8.789 1.00 0.00 O ATOM 861 CB PHE A1123 7.934 15.295 9.288 1.00 0.00 C ATOM 862 CG PHE A1123 7.719 16.733 9.703 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.589 17.743 8.766 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.613 17.065 11.043 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.358 19.042 9.145 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.388 18.370 11.435 1.00 0.00 C ATOM 867 CZ PHE A1123 7.258 19.363 10.482 1.00 0.00 C ATOM 0 H PHE A1123 7.242 15.408 6.726 1.00 0.00 H new ATOM 0 HA PHE A1123 9.783 15.583 8.217 1.00 0.00 H new ATOM 0 HB2 PHE A1123 6.961 14.845 9.089 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.369 14.755 10.129 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.671 17.505 7.716 1.00 0.00 H new ATOM 0 HD2 PHE A1123 7.708 16.293 11.792 1.00 0.00 H new ATOM 0 HE1 PHE A1123 7.255 19.813 8.396 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.314 18.614 12.484 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.079 20.385 10.783 1.00 0.00 H new ATOM 877 N VAL A1124 8.804 13.077 6.683 1.00 0.00 N ATOM 878 CA VAL A1124 8.968 11.653 6.408 1.00 0.00 C ATOM 879 C VAL A1124 9.766 11.432 5.130 1.00 0.00 C ATOM 880 O VAL A1124 9.918 12.343 4.318 1.00 0.00 O ATOM 881 CB VAL A1124 7.608 10.920 6.301 1.00 0.00 C ATOM 882 CG1 VAL A1124 6.957 10.780 7.666 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.659 11.642 5.353 1.00 0.00 C ATOM 0 H VAL A1124 8.457 13.624 5.895 1.00 0.00 H new ATOM 0 HA VAL A1124 9.515 11.234 7.252 1.00 0.00 H new ATOM 0 HB VAL A1124 7.809 9.927 5.900 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.004 10.262 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.611 10.208 8.324 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.788 11.769 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.714 11.101 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.478 12.653 5.719 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.104 11.690 4.359 1.00 0.00 H new ATOM 893 N HIS A1125 10.287 10.224 4.957 1.00 0.00 N ATOM 894 CA HIS A1125 11.093 9.909 3.792 1.00 0.00 C ATOM 895 C HIS A1125 10.548 8.672 3.099 1.00 0.00 C ATOM 896 O HIS A1125 10.271 7.657 3.742 1.00 0.00 O ATOM 897 CB HIS A1125 12.551 9.708 4.203 1.00 0.00 C ATOM 898 CG HIS A1125 13.469 9.334 3.079 1.00 0.00 C ATOM 899 ND1 HIS A1125 14.014 10.245 2.205 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.935 8.126 2.696 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.770 9.615 1.327 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.739 8.323 1.602 1.00 0.00 N ATOM 0 H HIS A1125 10.164 9.450 5.609 1.00 0.00 H new ATOM 0 HA HIS A1125 11.047 10.741 3.089 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.916 10.627 4.662 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.596 8.931 4.966 1.00 0.00 H new ATOM 0 HD2 HIS A1125 13.715 7.178 3.165 1.00 0.00 H new ATOM 0 HE1 HIS A1125 15.321 10.076 0.521 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.231 7.593 1.087 1.00 0.00 H new ATOM 911 N ILE A1126 10.406 8.770 1.789 1.00 0.00 N ATOM 912 CA ILE A1126 9.847 7.691 0.987 1.00 0.00 C ATOM 913 C ILE A1126 10.844 6.542 0.871 1.00 0.00 C ATOM 914 O ILE A1126 11.980 6.725 0.431 1.00 0.00 O ATOM 915 CB ILE A1126 9.420 8.181 -0.427 1.00 0.00 C ATOM 916 CG1 ILE A1126 8.078 8.929 -0.375 1.00 0.00 C ATOM 917 CG2 ILE A1126 9.322 7.019 -1.404 1.00 0.00 C ATOM 918 CD1 ILE A1126 8.123 10.274 0.319 1.00 0.00 C ATOM 0 H ILE A1126 10.673 9.595 1.251 1.00 0.00 H new ATOM 0 HA ILE A1126 8.951 7.336 1.496 1.00 0.00 H new ATOM 0 HB ILE A1126 10.190 8.869 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.720 9.074 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.347 8.299 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A1126 9.022 7.391 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A1126 10.292 6.528 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.582 6.304 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A1126 7.130 10.724 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.446 10.140 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.825 10.927 -0.199 1.00 0.00 H new ATOM 930 N LEU A1127 10.408 5.361 1.284 1.00 0.00 N ATOM 931 CA LEU A1127 11.260 4.183 1.291 1.00 0.00 C ATOM 932 C LEU A1127 10.949 3.277 0.107 1.00 0.00 C ATOM 933 O LEU A1127 11.338 2.109 0.084 1.00 0.00 O ATOM 934 CB LEU A1127 11.079 3.418 2.598 1.00 0.00 C ATOM 935 CG LEU A1127 11.435 4.205 3.855 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.107 3.400 5.097 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.902 4.594 3.844 1.00 0.00 C ATOM 0 H LEU A1127 9.460 5.194 1.621 1.00 0.00 H new ATOM 0 HA LEU A1127 12.296 4.509 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.041 3.093 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.693 2.518 2.564 1.00 0.00 H new ATOM 0 HG LEU A1127 10.839 5.117 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A1127 11.368 3.977 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A1127 10.041 3.173 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A1127 11.676 2.470 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.137 5.155 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.517 3.695 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A1127 13.108 5.212 2.970 1.00 0.00 H new ATOM 949 N SER A1128 10.242 3.819 -0.872 1.00 0.00 N ATOM 950 CA SER A1128 9.981 3.105 -2.113 1.00 0.00 C ATOM 951 C SER A1128 11.100 3.383 -3.116 1.00 0.00 C ATOM 952 O SER A1128 10.941 3.209 -4.324 1.00 0.00 O ATOM 953 CB SER A1128 8.626 3.522 -2.681 1.00 0.00 C ATOM 954 OG SER A1128 7.581 3.239 -1.761 1.00 0.00 O ATOM 0 H SER A1128 9.837 4.754 -0.831 1.00 0.00 H new ATOM 0 HA SER A1128 9.953 2.034 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.636 4.588 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A1128 8.443 2.996 -3.618 1.00 0.00 H new ATOM 0 HG SER A1128 7.226 4.078 -1.401 1.00 0.00 H new ATOM 960 N ASP A1129 12.226 3.828 -2.584 1.00 0.00 N ATOM 961 CA ASP A1129 13.421 4.098 -3.364 1.00 0.00 C ATOM 962 C ASP A1129 14.622 3.513 -2.643 1.00 0.00 C ATOM 963 O ASP A1129 15.090 4.136 -1.672 1.00 0.00 O ATOM 964 CB ASP A1129 13.605 5.606 -3.572 1.00 0.00 C ATOM 965 CG ASP A1129 15.001 5.967 -4.047 1.00 0.00 C ATOM 966 OD1 ASP A1129 15.412 5.503 -5.131 1.00 0.00 O ATOM 967 OD2 ASP A1129 15.691 6.736 -3.342 1.00 0.00 O ATOM 968 OXT ASP A1129 15.062 2.410 -3.018 1.00 0.00 O ATOM 0 H ASP A1129 12.337 4.014 -1.587 1.00 0.00 H new ATOM 0 HA ASP A1129 13.322 3.636 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A1129 12.875 5.960 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A1129 13.399 6.125 -2.636 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.389 8.534 13.874 1.00 0.00 N ATOM 975 CA CYS B1578 18.207 9.747 13.664 1.00 0.00 C ATOM 976 C CYS B1578 17.378 10.832 13.002 1.00 0.00 C ATOM 977 O CYS B1578 16.772 10.600 11.955 1.00 0.00 O ATOM 978 CB CYS B1578 19.411 9.424 12.777 1.00 0.00 C ATOM 979 SG CYS B1578 20.617 10.766 12.634 1.00 0.00 S ATOM 0 HA CYS B1578 18.555 10.099 14.635 1.00 0.00 H new ATOM 0 HB2 CYS B1578 19.913 8.542 13.174 1.00 0.00 H new ATOM 0 HB3 CYS B1578 19.053 9.166 11.780 1.00 0.00 H new ATOM 0 HG CYS B1578 21.596 10.390 11.865 1.00 0.00 H new ATOM 987 N ILE B1579 17.328 12.006 13.620 1.00 0.00 N ATOM 988 CA ILE B1579 16.693 13.149 12.993 1.00 0.00 C ATOM 989 C ILE B1579 17.486 13.572 11.772 1.00 0.00 C ATOM 990 O ILE B1579 18.678 13.879 11.862 1.00 0.00 O ATOM 991 CB ILE B1579 16.550 14.360 13.940 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.536 14.067 15.044 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.144 15.607 13.162 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.181 15.289 15.861 1.00 0.00 C ATOM 0 H ILE B1579 17.717 12.187 14.546 1.00 0.00 H new ATOM 0 HA ILE B1579 15.688 12.831 12.715 1.00 0.00 H new ATOM 0 HB ILE B1579 17.519 14.543 14.404 1.00 0.00 H new ATOM 0 HG12 ILE B1579 14.629 13.659 14.598 1.00 0.00 H new ATOM 0 HG13 ILE B1579 15.939 13.299 15.705 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.049 16.449 13.848 1.00 0.00 H new ATOM 0 HG22 ILE B1579 16.904 15.833 12.414 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.189 15.432 12.667 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.457 15.016 16.629 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.080 15.684 16.334 1.00 0.00 H new ATOM 0 HD13 ILE B1579 14.750 16.049 15.210 1.00 0.00 H new ATOM 1006 N ILE B1580 16.825 13.558 10.638 1.00 0.00 N ATOM 1007 CA ILE B1580 17.431 13.994 9.399 1.00 0.00 C ATOM 1008 C ILE B1580 17.572 15.507 9.399 1.00 0.00 C ATOM 1009 O ILE B1580 16.589 16.221 9.418 1.00 0.00 O ATOM 1010 CB ILE B1580 16.598 13.502 8.183 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.120 12.153 7.702 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.567 14.505 7.038 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.004 11.077 8.748 1.00 0.00 C ATOM 0 H ILE B1580 15.858 13.246 10.547 1.00 0.00 H new ATOM 0 HA ILE B1580 18.426 13.558 9.314 1.00 0.00 H new ATOM 0 HB ILE B1580 15.569 13.394 8.525 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.567 11.850 6.813 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.164 12.256 7.408 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.970 14.104 6.219 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.126 15.439 7.385 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.583 14.691 6.689 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.391 10.139 8.350 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.580 11.362 9.629 1.00 0.00 H new ATOM 0 HD13 ILE B1580 15.957 10.950 9.024 1.00 0.00 H new ATOM 1025 N SER B1581 18.801 15.986 9.453 1.00 0.00 N ATOM 1026 CA SER B1581 19.076 17.410 9.331 1.00 0.00 C ATOM 1027 C SER B1581 18.357 18.214 10.422 1.00 0.00 C ATOM 1028 O SER B1581 18.071 17.697 11.504 1.00 0.00 O ATOM 1029 CB SER B1581 18.624 17.879 7.948 1.00 0.00 C ATOM 1030 OG SER B1581 19.286 17.154 6.921 1.00 0.00 O ATOM 0 H SER B1581 19.631 15.407 9.581 1.00 0.00 H new ATOM 0 HA SER B1581 20.146 17.576 9.454 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.546 17.751 7.851 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.829 18.944 7.836 1.00 0.00 H new ATOM 0 HG SER B1581 18.979 17.471 6.046 1.00 0.00 H new ATOM 1036 N ALA B1582 18.094 19.484 10.146 1.00 0.00 N ATOM 1037 CA ALA B1582 17.260 20.299 11.017 1.00 0.00 C ATOM 1038 C ALA B1582 15.799 20.148 10.620 1.00 0.00 C ATOM 1039 O ALA B1582 15.486 19.926 9.448 1.00 0.00 O ATOM 1040 CB ALA B1582 17.686 21.759 10.956 1.00 0.00 C ATOM 0 H ALA B1582 18.447 19.973 9.323 1.00 0.00 H new ATOM 0 HA ALA B1582 17.383 19.956 12.044 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.050 22.351 11.614 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.724 21.849 11.277 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.589 22.124 9.933 1.00 0.00 H new ATOM 1046 N MET B1583 14.915 20.271 11.599 1.00 0.00 N ATOM 1047 CA MET B1583 13.490 20.040 11.394 1.00 0.00 C ATOM 1048 C MET B1583 12.884 21.037 10.416 1.00 0.00 C ATOM 1049 O MET B1583 13.155 22.238 10.480 1.00 0.00 O ATOM 1050 CB MET B1583 12.746 20.092 12.733 1.00 0.00 C ATOM 1051 CG MET B1583 11.236 20.189 12.597 1.00 0.00 C ATOM 1052 SD MET B1583 10.374 19.491 14.008 1.00 0.00 S ATOM 1053 CE MET B1583 10.903 17.788 13.871 1.00 0.00 C ATOM 0 H MET B1583 15.162 20.532 12.554 1.00 0.00 H new ATOM 0 HA MET B1583 13.380 19.047 10.958 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.992 19.200 13.309 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.105 20.949 13.304 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.951 21.235 12.482 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.922 19.671 11.691 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.029 17.139 13.814 1.00 0.00 H new ATOM 0 HE2 MET B1583 11.505 17.665 12.971 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.498 17.520 14.744 1.00 0.00 H new ATOM 1063 N PRO B1584 12.046 20.535 9.497 1.00 0.00 N ATOM 1064 CA PRO B1584 11.307 21.362 8.562 1.00 0.00 C ATOM 1065 C PRO B1584 10.102 21.982 9.254 1.00 0.00 C ATOM 1066 O PRO B1584 9.904 21.796 10.456 1.00 0.00 O ATOM 1067 CB PRO B1584 10.866 20.369 7.491 1.00 0.00 C ATOM 1068 CG PRO B1584 10.727 19.079 8.213 1.00 0.00 C ATOM 1069 CD PRO B1584 11.734 19.110 9.325 1.00 0.00 C ATOM 0 HA PRO B1584 11.889 22.190 8.157 1.00 0.00 H new ATOM 0 HB2 PRO B1584 9.924 20.671 7.034 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.601 20.298 6.689 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.717 18.960 8.606 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.911 18.237 7.545 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.328 18.679 10.240 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.625 18.536 9.070 1.00 0.00 H new ATOM 1077 N THR B1585 9.293 22.694 8.516 1.00 0.00 N ATOM 1078 CA THR B1585 8.132 23.322 9.096 1.00 0.00 C ATOM 1079 C THR B1585 6.886 22.738 8.479 1.00 0.00 C ATOM 1080 O THR B1585 6.865 22.421 7.289 1.00 0.00 O ATOM 1081 CB THR B1585 8.151 24.848 8.905 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.364 25.384 9.455 1.00 0.00 O ATOM 1083 CG2 THR B1585 6.953 25.493 9.590 1.00 0.00 C ATOM 0 H THR B1585 9.414 22.854 7.516 1.00 0.00 H new ATOM 0 HA THR B1585 8.142 23.128 10.169 1.00 0.00 H new ATOM 0 HB THR B1585 8.100 25.066 7.838 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.377 26.356 9.332 1.00 0.00 H new ATOM 0 HG21 THR B1585 6.987 26.572 9.442 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.032 25.097 9.162 1.00 0.00 H new ATOM 0 HG23 THR B1585 6.982 25.272 10.657 1.00 0.00 H new ATOM 1091 N LYS B1586 5.869 22.564 9.306 1.00 0.00 N ATOM 1092 CA LYS B1586 4.619 21.989 8.869 1.00 0.00 C ATOM 1093 C LYS B1586 4.052 22.776 7.702 1.00 0.00 C ATOM 1094 O LYS B1586 3.584 23.902 7.864 1.00 0.00 O ATOM 1095 CB LYS B1586 3.624 21.977 10.013 1.00 0.00 C ATOM 1096 CG LYS B1586 2.570 20.914 9.840 1.00 0.00 C ATOM 1097 CD LYS B1586 1.563 20.954 10.958 1.00 0.00 C ATOM 1098 CE LYS B1586 1.190 19.554 11.386 1.00 0.00 C ATOM 1099 NZ LYS B1586 -0.279 19.336 11.349 1.00 0.00 N ATOM 0 H LYS B1586 5.891 22.818 10.294 1.00 0.00 H new ATOM 0 HA LYS B1586 4.804 20.965 8.544 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.154 21.812 10.951 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.145 22.953 10.085 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.062 21.054 8.886 1.00 0.00 H new ATOM 0 HG3 LYS B1586 3.043 19.932 9.808 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.974 21.502 11.806 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.672 21.491 10.633 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.681 18.832 10.733 1.00 0.00 H new ATOM 0 HE3 LYS B1586 1.559 19.373 12.396 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 -0.477 18.316 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 -0.710 19.728 12.211 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 -0.679 19.811 10.515 1.00 0.00 H new ATOM 1113 N SER B1587 4.128 22.179 6.529 1.00 0.00 N ATOM 1114 CA SER B1587 3.624 22.793 5.316 1.00 0.00 C ATOM 1115 C SER B1587 2.104 22.717 5.303 1.00 0.00 C ATOM 1116 O SER B1587 1.544 21.889 4.593 1.00 0.00 O ATOM 1117 CB SER B1587 4.193 22.070 4.094 1.00 0.00 C ATOM 1118 OG SER B1587 5.587 21.866 4.227 1.00 0.00 O ATOM 0 H SER B1587 4.540 21.256 6.390 1.00 0.00 H new ATOM 0 HA SER B1587 3.932 23.838 5.284 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.692 21.110 3.969 1.00 0.00 H new ATOM 0 HB3 SER B1587 3.992 22.654 3.196 1.00 0.00 H new ATOM 0 HG SER B1587 5.868 21.133 3.640 1.00 0.00 H new ATOM 1124 N SER B1588 1.470 23.599 6.085 1.00 0.00 N ATOM 1125 CA SER B1588 0.031 23.561 6.376 1.00 0.00 C ATOM 1126 C SER B1588 -0.791 22.918 5.269 1.00 0.00 C ATOM 1127 O SER B1588 -0.836 23.410 4.143 1.00 0.00 O ATOM 1128 CB SER B1588 -0.473 24.969 6.637 1.00 0.00 C ATOM 1129 OG SER B1588 0.215 25.556 7.731 1.00 0.00 O ATOM 0 H SER B1588 1.951 24.374 6.542 1.00 0.00 H new ATOM 0 HA SER B1588 -0.095 22.938 7.261 1.00 0.00 H new ATOM 0 HB2 SER B1588 -0.336 25.580 5.745 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.543 24.944 6.845 1.00 0.00 H new ATOM 0 HG SER B1588 -0.123 26.463 7.881 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.419 21.804 5.627 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.197 20.986 4.706 1.00 0.00 C ATOM 1137 C ARG B1589 -3.133 21.834 3.856 1.00 0.00 C ATOM 1138 O ARG B1589 -4.116 22.382 4.345 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.963 19.951 5.520 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.781 18.964 4.711 1.00 0.00 C ATOM 1141 CD ARG B1589 -4.154 17.783 5.582 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.240 16.982 5.020 1.00 0.00 N ATOM 1143 CZ ARG B1589 -6.018 16.176 5.745 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.845 16.066 7.058 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.973 15.469 5.159 1.00 0.00 N ATOM 0 H ARG B1589 -1.401 21.439 6.579 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.528 20.482 4.009 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.252 19.394 6.130 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.630 20.474 6.206 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.681 19.447 4.330 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.211 18.626 3.846 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.278 17.150 5.722 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -4.448 18.144 6.568 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.413 17.043 4.017 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.111 16.601 7.522 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.446 15.447 7.601 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.115 15.540 4.151 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.566 14.854 5.715 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.813 21.919 2.574 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.474 22.847 1.661 1.00 0.00 C ATOM 1161 C LYS B1590 -4.919 22.449 1.393 1.00 0.00 C ATOM 1162 O LYS B1590 -5.755 23.295 1.070 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.707 22.932 0.333 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.365 23.652 0.420 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.304 22.823 1.125 1.00 0.00 C ATOM 1166 CE LYS B1590 1.022 23.564 1.201 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.629 23.766 -0.141 1.00 0.00 N ATOM 0 H LYS B1590 -2.090 21.349 2.135 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.478 23.824 2.143 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.539 21.922 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.332 23.442 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.022 23.897 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.496 24.595 0.950 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.643 22.576 2.131 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.166 21.880 0.595 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.869 24.532 1.678 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.714 23.004 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.601 24.119 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.644 22.862 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.067 24.459 -0.676 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.210 21.165 1.538 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.542 20.648 1.262 1.00 0.00 C ATOM 1183 C ALA B1591 -7.480 20.843 2.449 1.00 0.00 C ATOM 1184 O ALA B1591 -8.666 20.522 2.370 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.465 19.179 0.884 1.00 0.00 C ATOM 0 H ALA B1591 -4.540 20.460 1.846 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.951 21.212 0.424 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.467 18.803 0.680 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.846 19.064 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -6.026 18.614 1.707 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.953 21.367 3.548 1.00 0.00 N ATOM 1192 CA LYS B1592 -7.768 21.632 4.725 1.00 0.00 C ATOM 1193 C LYS B1592 -7.568 23.074 5.163 1.00 0.00 C ATOM 1194 O LYS B1592 -6.481 23.627 5.005 1.00 0.00 O ATOM 1195 CB LYS B1592 -7.419 20.670 5.870 1.00 0.00 C ATOM 1196 CG LYS B1592 -6.166 21.050 6.653 1.00 0.00 C ATOM 1197 CD LYS B1592 -5.836 20.015 7.721 1.00 0.00 C ATOM 1198 CE LYS B1592 -7.042 19.703 8.589 1.00 0.00 C ATOM 1199 NZ LYS B1592 -6.730 18.695 9.629 1.00 0.00 N ATOM 0 H LYS B1592 -5.969 21.616 3.648 1.00 0.00 H new ATOM 0 HA LYS B1592 -8.815 21.472 4.468 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -8.263 20.623 6.559 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -7.286 19.669 5.460 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -5.324 21.148 5.968 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -6.310 22.024 7.121 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -5.483 19.100 7.245 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -5.023 20.383 8.346 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -7.393 20.619 9.065 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -7.855 19.338 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -7.597 18.179 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -6.024 18.025 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -6.350 19.172 10.472 1.00 0.00 H new ATOM 1213 N LYS B1593 -8.614 23.694 5.673 1.00 0.00 N ATOM 1214 CA LYS B1593 -8.521 25.069 6.126 1.00 0.00 C ATOM 1215 C LYS B1593 -8.617 25.134 7.646 1.00 0.00 C ATOM 1216 O LYS B1593 -9.711 25.091 8.211 1.00 0.00 O ATOM 1217 CB LYS B1593 -9.605 25.916 5.458 1.00 0.00 C ATOM 1218 CG LYS B1593 -9.535 25.862 3.939 1.00 0.00 C ATOM 1219 CD LYS B1593 -8.183 26.336 3.425 1.00 0.00 C ATOM 1220 CE LYS B1593 -7.898 25.825 2.019 1.00 0.00 C ATOM 1221 NZ LYS B1593 -8.913 26.276 1.031 1.00 0.00 N ATOM 0 H LYS B1593 -9.535 23.270 5.784 1.00 0.00 H new ATOM 0 HA LYS B1593 -7.552 25.476 5.838 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -10.585 25.570 5.786 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -9.506 26.951 5.786 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -9.716 24.841 3.602 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -10.324 26.483 3.515 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -8.156 27.426 3.428 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -7.398 25.996 4.101 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -6.912 26.168 1.704 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -7.867 24.736 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -8.628 25.973 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -9.836 25.858 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -8.986 27.313 1.057 1.00 0.00 H new ATOM 1235 N PRO B1594 -7.463 25.213 8.328 1.00 0.00 N ATOM 1236 CA PRO B1594 -7.396 25.238 9.790 1.00 0.00 C ATOM 1237 C PRO B1594 -7.842 26.579 10.367 1.00 0.00 C ATOM 1238 O PRO B1594 -7.024 27.370 10.851 1.00 0.00 O ATOM 1239 CB PRO B1594 -5.908 24.985 10.097 1.00 0.00 C ATOM 1240 CG PRO B1594 -5.278 24.636 8.788 1.00 0.00 C ATOM 1241 CD PRO B1594 -6.126 25.284 7.736 1.00 0.00 C ATOM 0 HA PRO B1594 -8.062 24.499 10.237 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -5.442 25.869 10.532 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -5.789 24.175 10.817 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -4.251 24.999 8.740 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -5.241 23.556 8.648 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -5.820 26.312 7.543 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -6.073 24.752 6.786 1.00 0.00 H new ATOM 1249 N ALA B1595 -9.142 26.839 10.297 1.00 0.00 N ATOM 1250 CA ALA B1595 -9.716 28.046 10.875 1.00 0.00 C ATOM 1251 C ALA B1595 -9.479 28.077 12.381 1.00 0.00 C ATOM 1252 O ALA B1595 -8.987 29.068 12.925 1.00 0.00 O ATOM 1253 CB ALA B1595 -11.203 28.127 10.566 1.00 0.00 C ATOM 0 H ALA B1595 -9.820 26.227 9.844 1.00 0.00 H new ATOM 0 HA ALA B1595 -9.225 28.912 10.431 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -11.617 29.035 11.005 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -11.350 28.147 9.486 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -11.710 27.258 10.985 1.00 0.00 H new ATOM 1259 N GLN B1596 -9.822 26.976 13.035 1.00 0.00 N ATOM 1260 CA GLN B1596 -9.604 26.812 14.467 1.00 0.00 C ATOM 1261 C GLN B1596 -9.235 25.362 14.756 1.00 0.00 C ATOM 1262 O GLN B1596 -8.034 25.076 14.943 1.00 0.00 O ATOM 1263 CB GLN B1596 -10.848 27.206 15.281 1.00 0.00 C ATOM 1264 CG GLN B1596 -11.313 28.637 15.059 1.00 0.00 C ATOM 1265 CD GLN B1596 -12.334 29.081 16.084 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -11.985 29.652 17.117 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -13.600 28.821 15.814 1.00 0.00 N ATOM 1268 OXT GLN B1596 -10.142 24.504 14.736 1.00 0.00 O ATOM 0 H GLN B1596 -10.260 26.170 12.588 1.00 0.00 H new ATOM 0 HA GLN B1596 -8.791 27.474 14.766 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -11.663 26.528 15.028 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -10.634 27.066 16.341 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -10.452 29.305 15.096 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -11.743 28.725 14.061 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -13.849 28.346 14.947 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -14.329 29.095 16.473 1.00 0.00 H new TER 1277 GLN B1596