USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A1073 LYS NZ :NH3+ -172:sc= 1.48 (180deg=1.22) USER MOD Single : A1074 THR OG1 : rot 137:sc= 1.82 USER MOD Single : A1076 TYR OH : rot -26:sc= -0.883 USER MOD Single : A1078 CYS SG : rot 128:sc= -1.31 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A1082 ASN : amide:sc= -0.374 K(o=-0.37,f=-10!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.76 USER MOD Single : A1097 THR OG1 : rot 180:sc= -2.1! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A1112 GLN : amide:sc= -3.05! C(o=-3!,f=-11!) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -78:sc= 0.806 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A1128 SER OG : rot -80:sc= -0.279 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 -176:sc= -0.4 (180deg=-0.453) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : B1587 SER OG : rot -137:sc= 0.883 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ 163:sc= 1.67 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 3.022 1.279 -0.717 1.00 0.00 N ATOM 20 CA ARG A1070 3.913 2.406 -0.495 1.00 0.00 C ATOM 21 C ARG A1070 4.165 2.593 0.998 1.00 0.00 C ATOM 22 O ARG A1070 3.250 2.480 1.812 1.00 0.00 O ATOM 23 CB ARG A1070 3.317 3.673 -1.112 1.00 0.00 C ATOM 24 CG ARG A1070 4.217 4.894 -1.017 1.00 0.00 C ATOM 25 CD ARG A1070 3.679 6.044 -1.853 1.00 0.00 C ATOM 26 NE ARG A1070 3.705 5.747 -3.285 1.00 0.00 N ATOM 27 CZ ARG A1070 3.154 6.522 -4.216 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.507 7.626 -3.867 1.00 0.00 N ATOM 29 NH2 ARG A1070 3.243 6.195 -5.494 1.00 0.00 N ATOM 0 HA ARG A1070 4.869 2.206 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.092 3.482 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.371 3.894 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.301 5.206 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.221 4.635 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A1070 2.656 6.265 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.270 6.939 -1.659 1.00 0.00 H new ATOM 0 HE ARG A1070 4.174 4.894 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A1070 2.431 7.883 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A1070 2.086 8.218 -4.583 1.00 0.00 H new ATOM 0 HH21 ARG A1070 3.736 5.346 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG A1070 2.819 6.792 -6.204 1.00 0.00 H new ATOM 43 N ARG A1071 5.410 2.868 1.348 1.00 0.00 N ATOM 44 CA ARG A1071 5.805 3.015 2.738 1.00 0.00 C ATOM 45 C ARG A1071 6.742 4.210 2.907 1.00 0.00 C ATOM 46 O ARG A1071 7.554 4.503 2.026 1.00 0.00 O ATOM 47 CB ARG A1071 6.497 1.736 3.215 1.00 0.00 C ATOM 48 CG ARG A1071 7.056 1.832 4.624 1.00 0.00 C ATOM 49 CD ARG A1071 8.049 0.719 4.907 1.00 0.00 C ATOM 50 NE ARG A1071 7.403 -0.559 5.219 1.00 0.00 N ATOM 51 CZ ARG A1071 7.691 -1.716 4.624 1.00 0.00 C ATOM 52 NH1 ARG A1071 8.510 -1.757 3.577 1.00 0.00 N ATOM 53 NH2 ARG A1071 7.144 -2.834 5.079 1.00 0.00 N ATOM 0 H ARG A1071 6.171 2.995 0.681 1.00 0.00 H new ATOM 0 HA ARG A1071 4.913 3.189 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A1071 5.786 0.911 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.308 1.494 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.543 2.798 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.239 1.784 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A1071 8.698 0.590 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.686 1.011 5.742 1.00 0.00 H new ATOM 0 HE ARG A1071 6.683 -0.563 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A1071 8.926 -0.896 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A1071 8.723 -2.649 3.130 1.00 0.00 H new ATOM 0 HH21 ARG A1071 6.510 -2.803 5.877 1.00 0.00 H new ATOM 0 HH22 ARG A1071 7.357 -3.725 4.631 1.00 0.00 H new ATOM 67 N VAL A1072 6.621 4.898 4.034 1.00 0.00 N ATOM 68 CA VAL A1072 7.508 6.006 4.362 1.00 0.00 C ATOM 69 C VAL A1072 8.101 5.811 5.755 1.00 0.00 C ATOM 70 O VAL A1072 7.520 5.120 6.594 1.00 0.00 O ATOM 71 CB VAL A1072 6.784 7.374 4.312 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.197 7.627 2.935 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.699 7.458 5.373 1.00 0.00 C ATOM 0 H VAL A1072 5.912 4.706 4.741 1.00 0.00 H new ATOM 0 HA VAL A1072 8.297 6.012 3.610 1.00 0.00 H new ATOM 0 HB VAL A1072 7.524 8.147 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.694 8.594 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A1072 6.996 7.627 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.479 6.842 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.207 8.429 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.965 6.669 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.145 7.336 6.360 1.00 0.00 H new ATOM 83 N LYS A1073 9.259 6.406 5.993 1.00 0.00 N ATOM 84 CA LYS A1073 9.878 6.370 7.308 1.00 0.00 C ATOM 85 C LYS A1073 9.998 7.796 7.818 1.00 0.00 C ATOM 86 O LYS A1073 10.435 8.688 7.086 1.00 0.00 O ATOM 87 CB LYS A1073 11.259 5.697 7.245 1.00 0.00 C ATOM 88 CG LYS A1073 11.744 5.108 8.572 1.00 0.00 C ATOM 89 CD LYS A1073 12.271 6.166 9.537 1.00 0.00 C ATOM 90 CE LYS A1073 13.592 6.757 9.065 1.00 0.00 C ATOM 91 NZ LYS A1073 14.096 7.813 9.987 1.00 0.00 N ATOM 0 H LYS A1073 9.790 6.921 5.291 1.00 0.00 H new ATOM 0 HA LYS A1073 9.262 5.783 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.227 4.902 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A1073 11.989 6.429 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.923 4.569 9.045 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.531 4.380 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.534 6.962 9.641 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.403 5.723 10.524 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.335 5.963 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.464 7.178 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.922 8.281 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.347 8.516 10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.372 7.381 10.892 1.00 0.00 H new ATOM 105 N THR A1074 9.596 8.013 9.054 1.00 0.00 N ATOM 106 CA THR A1074 9.608 9.343 9.626 1.00 0.00 C ATOM 107 C THR A1074 11.036 9.791 9.904 1.00 0.00 C ATOM 108 O THR A1074 11.764 9.163 10.683 1.00 0.00 O ATOM 109 CB THR A1074 8.772 9.395 10.916 1.00 0.00 C ATOM 110 OG1 THR A1074 9.343 8.537 11.902 1.00 0.00 O ATOM 111 CG2 THR A1074 7.344 8.957 10.644 1.00 0.00 C ATOM 0 H THR A1074 9.257 7.284 9.682 1.00 0.00 H new ATOM 0 HA THR A1074 9.162 10.025 8.902 1.00 0.00 H new ATOM 0 HB THR A1074 8.768 10.423 11.279 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.346 8.992 12.770 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.768 9.000 11.568 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.895 9.620 9.905 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.343 7.936 10.263 1.00 0.00 H new ATOM 119 N ILE A1075 11.439 10.868 9.250 1.00 0.00 N ATOM 120 CA ILE A1075 12.794 11.372 9.389 1.00 0.00 C ATOM 121 C ILE A1075 12.830 12.499 10.399 1.00 0.00 C ATOM 122 O ILE A1075 13.895 12.962 10.800 1.00 0.00 O ATOM 123 CB ILE A1075 13.363 11.862 8.044 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.385 12.805 7.348 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.686 10.681 7.148 1.00 0.00 C ATOM 126 CD1 ILE A1075 12.973 13.509 6.143 1.00 0.00 C ATOM 0 H ILE A1075 10.848 11.409 8.619 1.00 0.00 H new ATOM 0 HA ILE A1075 13.416 10.547 9.737 1.00 0.00 H new ATOM 0 HB ILE A1075 14.282 12.414 8.244 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.508 12.239 7.035 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.043 13.553 8.064 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.087 11.042 6.201 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.425 10.045 7.636 1.00 0.00 H new ATOM 0 HG23 ILE A1075 12.779 10.106 6.962 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.221 14.162 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A1075 13.833 14.103 6.452 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.289 12.769 5.408 1.00 0.00 H new ATOM 138 N TYR A1076 11.645 12.928 10.803 1.00 0.00 N ATOM 139 CA TYR A1076 11.504 13.970 11.800 1.00 0.00 C ATOM 140 C TYR A1076 10.390 13.636 12.776 1.00 0.00 C ATOM 141 O TYR A1076 9.679 12.644 12.617 1.00 0.00 O ATOM 142 CB TYR A1076 11.164 15.308 11.148 1.00 0.00 C ATOM 143 CG TYR A1076 12.240 15.915 10.285 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.228 16.704 10.845 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.240 15.742 8.908 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.186 17.305 10.059 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.189 16.347 8.112 1.00 0.00 C ATOM 148 CZ TYR A1076 14.162 17.123 8.689 1.00 0.00 C ATOM 149 OH TYR A1076 15.098 17.739 7.888 1.00 0.00 O ATOM 0 H TYR A1076 10.760 12.564 10.450 1.00 0.00 H new ATOM 0 HA TYR A1076 12.457 14.040 12.324 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.269 15.176 10.540 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.912 16.019 11.935 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.249 16.851 11.915 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.483 15.122 8.452 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.953 17.916 10.511 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.167 16.211 7.041 1.00 0.00 H new ATOM 0 HH TYR A1076 15.426 18.549 8.332 1.00 0.00 H new ATOM 159 N ASP A1077 10.248 14.493 13.775 1.00 0.00 N ATOM 160 CA ASP A1077 9.155 14.407 14.730 1.00 0.00 C ATOM 161 C ASP A1077 8.131 15.480 14.392 1.00 0.00 C ATOM 162 O ASP A1077 8.451 16.668 14.400 1.00 0.00 O ATOM 163 CB ASP A1077 9.663 14.624 16.161 1.00 0.00 C ATOM 164 CG ASP A1077 10.913 13.826 16.474 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.804 12.608 16.736 1.00 0.00 O ATOM 166 OD2 ASP A1077 12.014 14.415 16.465 1.00 0.00 O ATOM 0 H ASP A1077 10.888 15.268 13.946 1.00 0.00 H new ATOM 0 HA ASP A1077 8.706 13.415 14.671 1.00 0.00 H new ATOM 0 HB2 ASP A1077 9.869 15.684 16.311 1.00 0.00 H new ATOM 0 HB3 ASP A1077 8.878 14.349 16.865 1.00 0.00 H new ATOM 171 N CYS A1078 6.912 15.074 14.086 1.00 0.00 N ATOM 172 CA CYS A1078 5.880 16.025 13.710 1.00 0.00 C ATOM 173 C CYS A1078 4.626 15.800 14.522 1.00 0.00 C ATOM 174 O CYS A1078 4.206 14.662 14.732 1.00 0.00 O ATOM 175 CB CYS A1078 5.541 15.920 12.226 1.00 0.00 C ATOM 176 SG CYS A1078 4.291 17.109 11.677 1.00 0.00 S ATOM 0 H CYS A1078 6.613 14.099 14.090 1.00 0.00 H new ATOM 0 HA CYS A1078 6.271 17.022 13.912 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.450 16.068 11.644 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.187 14.911 12.014 1.00 0.00 H new ATOM 0 HG CYS A1078 4.735 17.758 10.642 1.00 0.00 H new ATOM 182 N GLN A1079 4.032 16.885 14.973 1.00 0.00 N ATOM 183 CA GLN A1079 2.783 16.798 15.708 1.00 0.00 C ATOM 184 C GLN A1079 1.665 17.522 14.975 1.00 0.00 C ATOM 185 O GLN A1079 1.873 18.561 14.346 1.00 0.00 O ATOM 186 CB GLN A1079 2.951 17.323 17.134 1.00 0.00 C ATOM 187 CG GLN A1079 1.664 17.337 17.940 1.00 0.00 C ATOM 188 CD GLN A1079 1.907 17.535 19.422 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.873 18.181 19.823 1.00 0.00 O ATOM 190 NE2 GLN A1079 1.041 16.965 20.244 1.00 0.00 N ATOM 0 H GLN A1079 4.389 17.832 14.846 1.00 0.00 H new ATOM 0 HA GLN A1079 2.502 15.747 15.775 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.686 16.708 17.653 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.354 18.335 17.093 1.00 0.00 H new ATOM 0 HG2 GLN A1079 1.018 18.134 17.572 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.132 16.398 17.785 1.00 0.00 H new ATOM 0 HE21 GLN A1079 0.253 16.438 19.869 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.162 17.053 21.253 1.00 0.00 H new ATOM 199 N ALA A1080 0.487 16.931 15.058 1.00 0.00 N ATOM 200 CA ALA A1080 -0.688 17.394 14.339 1.00 0.00 C ATOM 201 C ALA A1080 -1.473 18.425 15.140 1.00 0.00 C ATOM 202 O ALA A1080 -1.255 18.598 16.340 1.00 0.00 O ATOM 203 CB ALA A1080 -1.576 16.203 14.055 1.00 0.00 C ATOM 0 H ALA A1080 0.316 16.106 15.633 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.362 17.871 13.415 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.464 16.532 13.515 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.031 15.479 13.450 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -1.874 15.739 14.995 1.00 0.00 H new ATOM 209 N ASP A1081 -2.396 19.098 14.458 1.00 0.00 N ATOM 210 CA ASP A1081 -3.314 20.022 15.111 1.00 0.00 C ATOM 211 C ASP A1081 -4.684 19.377 15.211 1.00 0.00 C ATOM 212 O ASP A1081 -5.435 19.611 16.157 1.00 0.00 O ATOM 213 CB ASP A1081 -3.444 21.332 14.330 1.00 0.00 C ATOM 214 CG ASP A1081 -2.140 22.087 14.212 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.498 22.348 15.252 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.761 22.448 13.077 1.00 0.00 O ATOM 0 H ASP A1081 -2.527 19.019 13.450 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.917 20.248 16.101 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -3.823 21.116 13.331 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -4.181 21.968 14.820 1.00 0.00 H new ATOM 221 N ASN A1082 -4.998 18.570 14.210 1.00 0.00 N ATOM 222 CA ASN A1082 -6.276 17.881 14.141 1.00 0.00 C ATOM 223 C ASN A1082 -6.053 16.385 14.339 1.00 0.00 C ATOM 224 O ASN A1082 -5.025 15.841 13.936 1.00 0.00 O ATOM 225 CB ASN A1082 -6.933 18.170 12.781 1.00 0.00 C ATOM 226 CG ASN A1082 -8.377 17.703 12.679 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.751 16.649 13.184 1.00 0.00 O ATOM 228 ND2 ASN A1082 -9.204 18.503 12.032 1.00 0.00 N ATOM 0 H ASN A1082 -4.376 18.375 13.425 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.942 18.236 14.928 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.895 19.243 12.591 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.350 17.687 11.997 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -10.188 18.252 11.940 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -8.859 19.372 11.624 1.00 0.00 H new ATOM 235 N ASP A1083 -7.021 15.737 14.979 1.00 0.00 N ATOM 236 CA ASP A1083 -6.962 14.304 15.276 1.00 0.00 C ATOM 237 C ASP A1083 -6.928 13.473 13.990 1.00 0.00 C ATOM 238 O ASP A1083 -6.527 12.311 13.997 1.00 0.00 O ATOM 239 CB ASP A1083 -8.171 13.913 16.132 1.00 0.00 C ATOM 240 CG ASP A1083 -8.143 12.468 16.585 1.00 0.00 C ATOM 241 OD1 ASP A1083 -7.276 12.120 17.413 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.006 11.684 16.140 1.00 0.00 O ATOM 0 H ASP A1083 -7.873 16.190 15.309 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.044 14.099 15.826 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -8.212 14.560 17.008 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.083 14.090 15.562 1.00 0.00 H new ATOM 247 N ASP A1084 -7.346 14.087 12.889 1.00 0.00 N ATOM 248 CA ASP A1084 -7.321 13.447 11.576 1.00 0.00 C ATOM 249 C ASP A1084 -5.892 13.372 11.044 1.00 0.00 C ATOM 250 O ASP A1084 -5.561 12.519 10.219 1.00 0.00 O ATOM 251 CB ASP A1084 -8.209 14.230 10.603 1.00 0.00 C ATOM 252 CG ASP A1084 -8.082 13.768 9.166 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.549 12.655 8.848 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.535 14.530 8.344 1.00 0.00 O ATOM 0 H ASP A1084 -7.711 15.039 12.879 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.704 12.431 11.672 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.249 14.136 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -7.953 15.288 10.660 1.00 0.00 H new ATOM 259 N GLU A1085 -5.047 14.261 11.538 1.00 0.00 N ATOM 260 CA GLU A1085 -3.667 14.337 11.092 1.00 0.00 C ATOM 261 C GLU A1085 -2.789 13.437 11.954 1.00 0.00 C ATOM 262 O GLU A1085 -3.137 13.121 13.092 1.00 0.00 O ATOM 263 CB GLU A1085 -3.185 15.785 11.151 1.00 0.00 C ATOM 264 CG GLU A1085 -4.103 16.744 10.418 1.00 0.00 C ATOM 265 CD GLU A1085 -3.758 18.198 10.656 1.00 0.00 C ATOM 266 OE1 GLU A1085 -3.604 18.598 11.830 1.00 0.00 O ATOM 267 OE2 GLU A1085 -3.689 18.958 9.670 1.00 0.00 O ATOM 0 H GLU A1085 -5.295 14.945 12.253 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.601 13.991 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.104 16.093 12.193 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -2.185 15.847 10.721 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -4.056 16.536 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -5.131 16.565 10.733 1.00 0.00 H new ATOM 274 N LEU A1086 -1.655 13.026 11.415 1.00 0.00 N ATOM 275 CA LEU A1086 -0.813 12.039 12.073 1.00 0.00 C ATOM 276 C LEU A1086 0.320 12.692 12.856 1.00 0.00 C ATOM 277 O LEU A1086 1.127 13.433 12.297 1.00 0.00 O ATOM 278 CB LEU A1086 -0.219 11.084 11.037 1.00 0.00 C ATOM 279 CG LEU A1086 0.368 9.792 11.603 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.737 8.805 11.922 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.359 9.178 10.631 1.00 0.00 C ATOM 0 H LEU A1086 -1.294 13.360 10.521 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.442 11.490 12.774 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -0.996 10.826 10.317 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.563 11.609 10.488 1.00 0.00 H new ATOM 0 HG LEU A1086 0.898 10.034 12.524 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.302 7.890 12.324 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.412 9.240 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.292 8.574 11.013 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.764 8.259 11.056 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.855 8.952 9.691 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.171 9.881 10.447 1.00 0.00 H new ATOM 293 N THR A1087 0.372 12.415 14.151 1.00 0.00 N ATOM 294 CA THR A1087 1.503 12.819 14.970 1.00 0.00 C ATOM 295 C THR A1087 2.499 11.666 15.054 1.00 0.00 C ATOM 296 O THR A1087 2.161 10.579 15.522 1.00 0.00 O ATOM 297 CB THR A1087 1.057 13.234 16.392 1.00 0.00 C ATOM 298 OG1 THR A1087 0.162 14.354 16.317 1.00 0.00 O ATOM 299 CG2 THR A1087 2.255 13.583 17.270 1.00 0.00 C ATOM 0 H THR A1087 -0.357 11.912 14.656 1.00 0.00 H new ATOM 0 HA THR A1087 1.972 13.686 14.505 1.00 0.00 H new ATOM 0 HB THR A1087 0.542 12.387 16.845 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.118 14.610 17.221 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.907 13.870 18.262 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.911 12.716 17.352 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.804 14.412 16.824 1.00 0.00 H new ATOM 307 N PHE A1088 3.713 11.902 14.582 1.00 0.00 N ATOM 308 CA PHE A1088 4.720 10.852 14.519 1.00 0.00 C ATOM 309 C PHE A1088 6.071 11.370 14.987 1.00 0.00 C ATOM 310 O PHE A1088 6.313 12.575 14.991 1.00 0.00 O ATOM 311 CB PHE A1088 4.832 10.295 13.089 1.00 0.00 C ATOM 312 CG PHE A1088 5.097 11.339 12.034 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.351 11.916 11.903 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.092 11.737 11.170 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.593 12.866 10.935 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.330 12.689 10.202 1.00 0.00 C ATOM 317 CZ PHE A1088 5.580 13.256 10.085 1.00 0.00 C ATOM 0 H PHE A1088 4.026 12.810 14.237 1.00 0.00 H new ATOM 0 HA PHE A1088 4.410 10.047 15.185 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.633 9.556 13.061 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.908 9.772 12.842 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.148 11.617 12.568 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.110 11.297 11.255 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.575 13.305 10.842 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.536 12.991 9.535 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.766 14.004 9.329 1.00 0.00 H new ATOM 327 N ILE A1089 6.947 10.459 15.389 1.00 0.00 N ATOM 328 CA ILE A1089 8.295 10.831 15.796 1.00 0.00 C ATOM 329 C ILE A1089 9.318 10.083 14.956 1.00 0.00 C ATOM 330 O ILE A1089 9.008 9.032 14.388 1.00 0.00 O ATOM 331 CB ILE A1089 8.565 10.576 17.306 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.711 9.074 17.623 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.464 11.202 18.155 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.464 8.254 17.378 1.00 0.00 C ATOM 0 H ILE A1089 6.749 9.460 15.442 1.00 0.00 H new ATOM 0 HA ILE A1089 8.388 11.905 15.632 1.00 0.00 H new ATOM 0 HB ILE A1089 9.515 11.050 17.553 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.522 8.666 17.020 1.00 0.00 H new ATOM 0 HG13 ILE A1089 9.003 8.963 18.667 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.667 11.015 19.209 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.433 12.277 17.976 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.503 10.762 17.887 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.659 7.211 17.628 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.653 8.630 18.001 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.180 8.329 16.328 1.00 0.00 H new ATOM 346 N GLU A1090 10.525 10.632 14.873 1.00 0.00 N ATOM 347 CA GLU A1090 11.581 10.064 14.043 1.00 0.00 C ATOM 348 C GLU A1090 11.829 8.609 14.424 1.00 0.00 C ATOM 349 O GLU A1090 12.113 8.302 15.588 1.00 0.00 O ATOM 350 CB GLU A1090 12.873 10.879 14.183 1.00 0.00 C ATOM 351 CG GLU A1090 13.935 10.563 13.132 1.00 0.00 C ATOM 352 CD GLU A1090 14.666 9.251 13.364 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.467 9.169 14.316 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.453 8.296 12.584 1.00 0.00 O ATOM 0 H GLU A1090 10.798 11.477 15.375 1.00 0.00 H new ATOM 0 HA GLU A1090 11.260 10.103 13.002 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.627 11.939 14.126 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.294 10.702 15.173 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.462 10.534 12.150 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.663 11.374 13.112 1.00 0.00 H new ATOM 361 N GLY A1091 11.717 7.726 13.445 1.00 0.00 N ATOM 362 CA GLY A1091 11.944 6.316 13.692 1.00 0.00 C ATOM 363 C GLY A1091 10.703 5.481 13.459 1.00 0.00 C ATOM 364 O GLY A1091 10.752 4.251 13.506 1.00 0.00 O ATOM 0 H GLY A1091 11.473 7.959 12.483 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.744 5.961 13.043 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.282 6.180 14.719 1.00 0.00 H new ATOM 368 N GLU A1092 9.589 6.145 13.201 1.00 0.00 N ATOM 369 CA GLU A1092 8.347 5.453 12.911 1.00 0.00 C ATOM 370 C GLU A1092 8.260 5.066 11.442 1.00 0.00 C ATOM 371 O GLU A1092 8.872 5.695 10.577 1.00 0.00 O ATOM 372 CB GLU A1092 7.137 6.302 13.305 1.00 0.00 C ATOM 373 CG GLU A1092 6.764 6.181 14.771 1.00 0.00 C ATOM 374 CD GLU A1092 6.666 4.740 15.237 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.465 3.841 14.396 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.818 4.496 16.454 1.00 0.00 O ATOM 0 H GLU A1092 9.520 7.163 13.187 1.00 0.00 H new ATOM 0 HA GLU A1092 8.338 4.541 13.507 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.347 7.347 13.077 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.283 6.008 12.695 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.507 6.703 15.374 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.809 6.678 14.940 1.00 0.00 H new ATOM 383 N VAL A1093 7.489 4.024 11.178 1.00 0.00 N ATOM 384 CA VAL A1093 7.329 3.495 9.834 1.00 0.00 C ATOM 385 C VAL A1093 5.863 3.530 9.437 1.00 0.00 C ATOM 386 O VAL A1093 5.027 2.867 10.051 1.00 0.00 O ATOM 387 CB VAL A1093 7.857 2.048 9.731 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.600 1.474 8.347 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.342 2.002 10.060 1.00 0.00 C ATOM 0 H VAL A1093 6.957 3.522 11.889 1.00 0.00 H new ATOM 0 HA VAL A1093 7.911 4.120 9.157 1.00 0.00 H new ATOM 0 HB VAL A1093 7.320 1.436 10.456 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.981 0.454 8.300 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.528 1.471 8.148 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.106 2.085 7.600 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.700 0.975 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.890 2.631 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.501 2.367 11.075 1.00 0.00 H new ATOM 399 N ILE A1094 5.550 4.300 8.411 1.00 0.00 N ATOM 400 CA ILE A1094 4.169 4.510 8.025 1.00 0.00 C ATOM 401 C ILE A1094 3.873 3.842 6.693 1.00 0.00 C ATOM 402 O ILE A1094 4.597 4.030 5.718 1.00 0.00 O ATOM 403 CB ILE A1094 3.833 6.008 7.903 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.473 6.802 9.044 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.320 6.202 7.899 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.317 8.297 8.897 1.00 0.00 C ATOM 0 H ILE A1094 6.233 4.789 7.832 1.00 0.00 H new ATOM 0 HA ILE A1094 3.555 4.068 8.810 1.00 0.00 H new ATOM 0 HB ILE A1094 4.239 6.381 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A1094 4.028 6.489 9.989 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.534 6.558 9.095 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.090 7.264 7.812 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.887 5.667 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.901 5.814 8.828 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.794 8.797 9.740 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.787 8.622 7.969 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.257 8.552 8.876 1.00 0.00 H new ATOM 418 N ILE A1095 2.818 3.053 6.660 1.00 0.00 N ATOM 419 CA ILE A1095 2.343 2.484 5.415 1.00 0.00 C ATOM 420 C ILE A1095 1.364 3.455 4.768 1.00 0.00 C ATOM 421 O ILE A1095 0.340 3.799 5.364 1.00 0.00 O ATOM 422 CB ILE A1095 1.648 1.123 5.631 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.639 0.092 6.174 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.015 0.625 4.336 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.781 -0.210 5.229 1.00 0.00 C ATOM 0 H ILE A1095 2.273 2.791 7.482 1.00 0.00 H new ATOM 0 HA ILE A1095 3.204 2.317 4.768 1.00 0.00 H new ATOM 0 HB ILE A1095 0.856 1.261 6.367 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.046 0.455 7.118 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.105 -0.833 6.392 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.531 -0.336 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.274 1.347 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.787 0.508 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.442 -0.949 5.682 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.384 -0.603 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.340 0.704 5.030 1.00 0.00 H new ATOM 437 N VAL A1096 1.678 3.899 3.565 1.00 0.00 N ATOM 438 CA VAL A1096 0.858 4.884 2.882 1.00 0.00 C ATOM 439 C VAL A1096 -0.346 4.214 2.233 1.00 0.00 C ATOM 440 O VAL A1096 -0.201 3.371 1.347 1.00 0.00 O ATOM 441 CB VAL A1096 1.666 5.644 1.809 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.832 6.742 1.166 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.940 6.219 2.404 1.00 0.00 C ATOM 0 H VAL A1096 2.497 3.593 3.039 1.00 0.00 H new ATOM 0 HA VAL A1096 0.517 5.601 3.628 1.00 0.00 H new ATOM 0 HB VAL A1096 1.939 4.932 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.429 7.259 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.046 6.302 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.515 7.452 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.495 6.751 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.687 6.909 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.554 5.410 2.800 1.00 0.00 H new ATOM 453 N THR A1097 -1.530 4.584 2.691 1.00 0.00 N ATOM 454 CA THR A1097 -2.759 4.017 2.173 1.00 0.00 C ATOM 455 C THR A1097 -3.453 4.989 1.228 1.00 0.00 C ATOM 456 O THR A1097 -4.317 4.600 0.440 1.00 0.00 O ATOM 457 CB THR A1097 -3.713 3.637 3.319 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.840 4.728 4.244 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.209 2.404 4.050 1.00 0.00 C ATOM 0 H THR A1097 -1.664 5.279 3.425 1.00 0.00 H new ATOM 0 HA THR A1097 -2.497 3.116 1.618 1.00 0.00 H new ATOM 0 HB THR A1097 -4.690 3.416 2.888 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.451 4.474 4.967 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.898 2.152 4.856 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.145 1.568 3.353 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.222 2.606 4.466 1.00 0.00 H new ATOM 467 N GLY A1098 -3.062 6.254 1.298 1.00 0.00 N ATOM 468 CA GLY A1098 -3.677 7.259 0.463 1.00 0.00 C ATOM 469 C GLY A1098 -2.862 8.532 0.381 1.00 0.00 C ATOM 470 O GLY A1098 -1.737 8.602 0.876 1.00 0.00 O ATOM 0 H GLY A1098 -2.330 6.599 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.815 6.856 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.668 7.492 0.853 1.00 0.00 H new ATOM 474 N GLU A1099 -3.449 9.544 -0.227 1.00 0.00 N ATOM 475 CA GLU A1099 -2.792 10.816 -0.459 1.00 0.00 C ATOM 476 C GLU A1099 -3.858 11.882 -0.639 1.00 0.00 C ATOM 477 O GLU A1099 -4.870 11.640 -1.297 1.00 0.00 O ATOM 478 CB GLU A1099 -1.874 10.707 -1.692 1.00 0.00 C ATOM 479 CG GLU A1099 -1.376 12.032 -2.249 1.00 0.00 C ATOM 480 CD GLU A1099 -2.247 12.556 -3.376 1.00 0.00 C ATOM 481 OE1 GLU A1099 -2.211 11.972 -4.479 1.00 0.00 O ATOM 482 OE2 GLU A1099 -2.973 13.545 -3.166 1.00 0.00 O ATOM 0 H GLU A1099 -4.406 9.506 -0.578 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.166 11.091 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -1.011 10.095 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.412 10.179 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -1.343 12.770 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.355 11.909 -2.611 1.00 0.00 H new ATOM 489 N GLU A1100 -3.653 13.042 -0.039 1.00 0.00 N ATOM 490 CA GLU A1100 -4.651 14.103 -0.107 1.00 0.00 C ATOM 491 C GLU A1100 -4.007 15.377 -0.629 1.00 0.00 C ATOM 492 O GLU A1100 -4.614 16.149 -1.376 1.00 0.00 O ATOM 493 CB GLU A1100 -5.277 14.340 1.269 1.00 0.00 C ATOM 494 CG GLU A1100 -6.505 15.234 1.231 1.00 0.00 C ATOM 495 CD GLU A1100 -7.034 15.561 2.610 1.00 0.00 C ATOM 496 OE1 GLU A1100 -6.436 16.418 3.286 1.00 0.00 O ATOM 497 OE2 GLU A1100 -8.053 14.969 3.024 1.00 0.00 O ATOM 0 H GLU A1100 -2.816 13.275 0.495 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.444 13.802 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.550 13.379 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.532 14.788 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -6.259 16.160 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.288 14.744 0.653 1.00 0.00 H new ATOM 504 N ASP A1101 -2.771 15.579 -0.225 1.00 0.00 N ATOM 505 CA ASP A1101 -1.960 16.662 -0.733 1.00 0.00 C ATOM 506 C ASP A1101 -0.693 16.058 -1.298 1.00 0.00 C ATOM 507 O ASP A1101 -0.412 14.885 -1.059 1.00 0.00 O ATOM 508 CB ASP A1101 -1.621 17.649 0.389 1.00 0.00 C ATOM 509 CG ASP A1101 -0.983 18.934 -0.102 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.720 19.808 -0.587 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.256 19.078 0.017 1.00 0.00 O ATOM 0 H ASP A1101 -2.300 14.995 0.466 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.500 17.210 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.533 17.892 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.946 17.165 1.095 1.00 0.00 H new ATOM 516 N GLN A1102 0.079 16.835 -2.020 1.00 0.00 N ATOM 517 CA GLN A1102 1.334 16.332 -2.551 1.00 0.00 C ATOM 518 C GLN A1102 2.309 16.159 -1.406 1.00 0.00 C ATOM 519 O GLN A1102 3.200 15.311 -1.430 1.00 0.00 O ATOM 520 CB GLN A1102 1.914 17.296 -3.586 1.00 0.00 C ATOM 521 CG GLN A1102 2.410 18.612 -3.010 1.00 0.00 C ATOM 522 CD GLN A1102 3.147 19.444 -4.037 1.00 0.00 C ATOM 523 OE1 GLN A1102 2.554 20.258 -4.739 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.448 19.232 -4.143 1.00 0.00 N ATOM 0 H GLN A1102 -0.131 17.805 -2.254 1.00 0.00 H new ATOM 0 HA GLN A1102 1.157 15.376 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A1102 2.740 16.804 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.152 17.506 -4.336 1.00 0.00 H new ATOM 0 HG2 GLN A1102 1.563 19.180 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.070 18.411 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A1102 4.904 18.546 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.996 19.754 -4.827 1.00 0.00 H new ATOM 533 N GLU A1103 2.095 16.974 -0.397 1.00 0.00 N ATOM 534 CA GLU A1103 2.972 17.044 0.748 1.00 0.00 C ATOM 535 C GLU A1103 2.262 16.553 2.013 1.00 0.00 C ATOM 536 O GLU A1103 2.777 16.678 3.122 1.00 0.00 O ATOM 537 CB GLU A1103 3.431 18.489 0.883 1.00 0.00 C ATOM 538 CG GLU A1103 4.592 18.691 1.821 1.00 0.00 C ATOM 539 CD GLU A1103 5.149 20.091 1.723 1.00 0.00 C ATOM 540 OE1 GLU A1103 4.387 21.011 1.334 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.344 20.280 2.035 1.00 0.00 O ATOM 0 H GLU A1103 1.300 17.612 -0.349 1.00 0.00 H new ATOM 0 HA GLU A1103 3.835 16.393 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.708 18.863 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.592 19.093 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.271 18.497 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.376 17.970 1.591 1.00 0.00 H new ATOM 548 N TRP A1104 1.078 15.982 1.835 1.00 0.00 N ATOM 549 CA TRP A1104 0.312 15.406 2.942 1.00 0.00 C ATOM 550 C TRP A1104 -0.350 14.105 2.508 1.00 0.00 C ATOM 551 O TRP A1104 -1.327 14.103 1.744 1.00 0.00 O ATOM 552 CB TRP A1104 -0.743 16.387 3.469 1.00 0.00 C ATOM 553 CG TRP A1104 -0.168 17.498 4.300 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.365 18.670 3.847 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.070 17.540 5.731 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.796 19.431 4.903 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.540 18.763 6.069 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.435 16.664 6.757 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.793 19.132 7.390 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.186 17.029 8.067 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.425 18.256 8.373 1.00 0.00 C ATOM 0 H TRP A1104 0.620 15.903 0.927 1.00 0.00 H new ATOM 0 HA TRP A1104 1.009 15.198 3.754 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.281 16.817 2.624 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.472 15.838 4.065 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.437 18.956 2.808 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.237 20.348 4.831 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.904 15.718 6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.262 20.075 7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.466 16.360 8.868 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.608 18.513 9.406 1.00 0.00 H new ATOM 572 N TRP A1105 0.190 12.998 2.993 1.00 0.00 N ATOM 573 CA TRP A1105 -0.284 11.681 2.599 1.00 0.00 C ATOM 574 C TRP A1105 -1.042 11.019 3.730 1.00 0.00 C ATOM 575 O TRP A1105 -0.955 11.440 4.882 1.00 0.00 O ATOM 576 CB TRP A1105 0.884 10.800 2.153 1.00 0.00 C ATOM 577 CG TRP A1105 1.505 11.262 0.872 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.166 12.373 0.164 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.559 10.631 0.142 1.00 0.00 C ATOM 580 NE1 TRP A1105 1.935 12.480 -0.957 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.805 11.421 -0.997 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.319 9.478 0.338 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.781 11.095 -1.934 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.284 9.155 -0.595 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.509 9.960 -1.715 1.00 0.00 C ATOM 0 H TRP A1105 0.959 12.986 3.662 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.966 11.806 1.758 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.643 10.788 2.935 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.534 9.775 2.032 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.395 13.073 0.450 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.873 13.225 -1.651 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.156 8.851 1.202 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.956 11.715 -2.801 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.877 8.263 -0.457 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.275 9.679 -2.423 1.00 0.00 H new ATOM 596 N ILE A1106 -1.778 9.977 3.397 1.00 0.00 N ATOM 597 CA ILE A1106 -2.602 9.290 4.369 1.00 0.00 C ATOM 598 C ILE A1106 -2.117 7.869 4.548 1.00 0.00 C ATOM 599 O ILE A1106 -1.770 7.196 3.578 1.00 0.00 O ATOM 600 CB ILE A1106 -4.078 9.256 3.933 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.556 10.660 3.566 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.939 8.670 5.042 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.943 10.680 2.975 1.00 0.00 C ATOM 0 H ILE A1106 -1.821 9.587 2.456 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.525 9.837 5.308 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.169 8.621 3.052 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.539 11.287 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.858 11.100 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.981 8.651 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.608 7.655 5.262 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.846 9.284 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.222 11.706 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.960 10.079 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.651 10.269 3.695 1.00 0.00 H new ATOM 615 N GLY A1107 -2.075 7.421 5.785 1.00 0.00 N ATOM 616 CA GLY A1107 -1.687 6.065 6.051 1.00 0.00 C ATOM 617 C GLY A1107 -1.770 5.728 7.514 1.00 0.00 C ATOM 618 O GLY A1107 -2.458 6.407 8.277 1.00 0.00 O ATOM 0 H GLY A1107 -2.304 7.975 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.328 5.388 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.668 5.905 5.700 1.00 0.00 H new ATOM 622 N HIS A1108 -1.060 4.689 7.900 1.00 0.00 N ATOM 623 CA HIS A1108 -1.052 4.230 9.278 1.00 0.00 C ATOM 624 C HIS A1108 0.307 3.637 9.596 1.00 0.00 C ATOM 625 O HIS A1108 0.983 3.120 8.705 1.00 0.00 O ATOM 626 CB HIS A1108 -2.158 3.189 9.526 1.00 0.00 C ATOM 627 CG HIS A1108 -2.062 1.952 8.684 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.812 1.760 7.544 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.311 0.834 8.828 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.524 0.580 7.024 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.617 -0.001 7.785 1.00 0.00 N ATOM 0 H HIS A1108 -0.474 4.139 7.272 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.247 5.080 9.932 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.134 2.899 10.576 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.125 3.659 9.347 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.602 0.637 9.619 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -2.958 0.162 6.128 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.209 -0.922 7.624 1.00 0.00 H new ATOM 640 N ILE A1109 0.709 3.720 10.850 1.00 0.00 N ATOM 641 CA ILE A1109 1.982 3.158 11.267 1.00 0.00 C ATOM 642 C ILE A1109 1.933 1.642 11.124 1.00 0.00 C ATOM 643 O ILE A1109 0.950 1.026 11.529 1.00 0.00 O ATOM 644 CB ILE A1109 2.317 3.529 12.725 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.165 5.038 12.958 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.727 3.075 13.072 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.084 5.894 12.110 1.00 0.00 C ATOM 0 H ILE A1109 0.176 4.169 11.595 1.00 0.00 H new ATOM 0 HA ILE A1109 2.762 3.573 10.629 1.00 0.00 H new ATOM 0 HB ILE A1109 1.612 3.016 13.379 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.133 5.323 12.756 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.355 5.253 14.010 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.952 3.343 14.104 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.801 1.994 12.953 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.440 3.562 12.407 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.913 6.946 12.336 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.121 5.640 12.328 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.880 5.712 11.055 1.00 0.00 H new ATOM 659 N GLU A1110 2.961 1.046 10.529 1.00 0.00 N ATOM 660 CA GLU A1110 2.903 -0.363 10.140 1.00 0.00 C ATOM 661 C GLU A1110 2.548 -1.264 11.326 1.00 0.00 C ATOM 662 O GLU A1110 1.609 -2.061 11.246 1.00 0.00 O ATOM 663 CB GLU A1110 4.221 -0.809 9.500 1.00 0.00 C ATOM 664 CG GLU A1110 4.095 -2.125 8.744 1.00 0.00 C ATOM 665 CD GLU A1110 5.346 -2.510 7.981 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.906 -1.652 7.269 1.00 0.00 O ATOM 667 OE2 GLU A1110 5.752 -3.693 8.057 1.00 0.00 O ATOM 0 H GLU A1110 3.841 1.511 10.306 1.00 0.00 H new ATOM 0 HA GLU A1110 2.109 -0.462 9.400 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.568 -0.034 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A1110 4.980 -0.912 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A1110 3.852 -2.918 9.451 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.261 -2.054 8.046 1.00 0.00 H new ATOM 674 N GLY A1111 3.272 -1.110 12.431 1.00 0.00 N ATOM 675 CA GLY A1111 3.025 -1.933 13.604 1.00 0.00 C ATOM 676 C GLY A1111 2.012 -1.308 14.547 1.00 0.00 C ATOM 677 O GLY A1111 1.712 -1.859 15.609 1.00 0.00 O ATOM 0 H GLY A1111 4.025 -0.430 12.536 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.667 -2.913 13.288 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.963 -2.093 14.136 1.00 0.00 H new ATOM 681 N GLN A1112 1.484 -0.158 14.153 1.00 0.00 N ATOM 682 CA GLN A1112 0.490 0.559 14.943 1.00 0.00 C ATOM 683 C GLN A1112 -0.735 0.846 14.078 1.00 0.00 C ATOM 684 O GLN A1112 -0.983 1.989 13.694 1.00 0.00 O ATOM 685 CB GLN A1112 1.081 1.871 15.466 1.00 0.00 C ATOM 686 CG GLN A1112 2.275 1.684 16.391 1.00 0.00 C ATOM 687 CD GLN A1112 3.180 2.904 16.431 1.00 0.00 C ATOM 688 OE1 GLN A1112 2.733 4.034 16.245 1.00 0.00 O ATOM 689 NE2 GLN A1112 4.460 2.682 16.672 1.00 0.00 N ATOM 0 H GLN A1112 1.731 0.305 13.278 1.00 0.00 H new ATOM 0 HA GLN A1112 0.195 -0.055 15.794 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.384 2.485 14.618 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.305 2.421 15.998 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.919 1.467 17.398 1.00 0.00 H new ATOM 0 HG3 GLN A1112 2.852 0.819 16.063 1.00 0.00 H new ATOM 0 HE21 GLN A1112 4.793 1.730 16.821 1.00 0.00 H new ATOM 0 HE22 GLN A1112 5.115 3.463 16.709 1.00 0.00 H new ATOM 698 N PRO A1113 -1.525 -0.193 13.772 1.00 0.00 N ATOM 699 CA PRO A1113 -2.603 -0.108 12.780 1.00 0.00 C ATOM 700 C PRO A1113 -3.723 0.845 13.186 1.00 0.00 C ATOM 701 O PRO A1113 -4.406 1.406 12.331 1.00 0.00 O ATOM 702 CB PRO A1113 -3.131 -1.543 12.684 1.00 0.00 C ATOM 703 CG PRO A1113 -2.086 -2.394 13.324 1.00 0.00 C ATOM 704 CD PRO A1113 -1.440 -1.535 14.365 1.00 0.00 C ATOM 0 HA PRO A1113 -2.233 0.290 11.835 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.088 -1.644 13.196 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.293 -1.833 11.646 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.527 -3.285 13.771 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.356 -2.734 12.590 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.965 -1.591 15.319 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.408 -1.831 14.551 1.00 0.00 H new ATOM 712 N GLU A1114 -3.904 1.032 14.489 1.00 0.00 N ATOM 713 CA GLU A1114 -4.935 1.934 14.988 1.00 0.00 C ATOM 714 C GLU A1114 -4.481 3.387 14.896 1.00 0.00 C ATOM 715 O GLU A1114 -5.292 4.307 14.990 1.00 0.00 O ATOM 716 CB GLU A1114 -5.314 1.597 16.432 1.00 0.00 C ATOM 717 CG GLU A1114 -4.140 1.603 17.396 1.00 0.00 C ATOM 718 CD GLU A1114 -4.586 1.576 18.843 1.00 0.00 C ATOM 719 OE1 GLU A1114 -5.134 0.548 19.283 1.00 0.00 O ATOM 720 OE2 GLU A1114 -4.410 2.596 19.541 1.00 0.00 O ATOM 0 H GLU A1114 -3.353 0.574 15.215 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.815 1.802 14.359 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -6.059 2.314 16.778 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -5.784 0.614 16.454 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -3.505 0.740 17.197 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -3.534 2.492 17.221 1.00 0.00 H new ATOM 727 N ARG A1115 -3.186 3.590 14.710 1.00 0.00 N ATOM 728 CA ARG A1115 -2.652 4.928 14.558 1.00 0.00 C ATOM 729 C ARG A1115 -2.571 5.274 13.083 1.00 0.00 C ATOM 730 O ARG A1115 -1.565 5.008 12.422 1.00 0.00 O ATOM 731 CB ARG A1115 -1.269 5.046 15.206 1.00 0.00 C ATOM 732 CG ARG A1115 -1.268 4.823 16.711 1.00 0.00 C ATOM 733 CD ARG A1115 0.117 5.045 17.294 1.00 0.00 C ATOM 734 NE ARG A1115 0.174 4.793 18.733 1.00 0.00 N ATOM 735 CZ ARG A1115 1.307 4.789 19.437 1.00 0.00 C ATOM 736 NH1 ARG A1115 2.469 4.988 18.830 1.00 0.00 N ATOM 737 NH2 ARG A1115 1.288 4.568 20.743 1.00 0.00 N ATOM 0 H ARG A1115 -2.490 2.846 14.661 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.318 5.629 15.061 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.599 4.322 14.742 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.864 6.036 14.996 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -1.978 5.502 17.183 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.601 3.809 16.932 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.828 4.393 16.787 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.429 6.071 17.097 1.00 0.00 H new ATOM 0 HE ARG A1115 -0.700 4.610 19.226 1.00 0.00 H new ATOM 0 HH11 ARG A1115 2.498 5.145 17.823 1.00 0.00 H new ATOM 0 HH12 ARG A1115 3.334 4.984 19.371 1.00 0.00 H new ATOM 0 HH21 ARG A1115 0.402 4.399 21.219 1.00 0.00 H new ATOM 0 HH22 ARG A1115 2.160 4.567 21.273 1.00 0.00 H new ATOM 751 N LYS A1116 -3.647 5.845 12.564 1.00 0.00 N ATOM 752 CA LYS A1116 -3.674 6.285 11.182 1.00 0.00 C ATOM 753 C LYS A1116 -3.969 7.770 11.130 1.00 0.00 C ATOM 754 O LYS A1116 -4.323 8.379 12.142 1.00 0.00 O ATOM 755 CB LYS A1116 -4.720 5.540 10.337 1.00 0.00 C ATOM 756 CG LYS A1116 -5.157 4.181 10.866 1.00 0.00 C ATOM 757 CD LYS A1116 -6.340 4.303 11.815 1.00 0.00 C ATOM 758 CE LYS A1116 -7.142 3.016 11.864 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.393 3.171 12.654 1.00 0.00 N ATOM 0 H LYS A1116 -4.511 6.013 13.080 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.693 6.065 10.760 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.602 6.173 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.318 5.405 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.425 3.534 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.323 3.706 11.382 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -5.983 4.550 12.815 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -6.983 5.123 11.495 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.390 2.704 10.849 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -6.533 2.225 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -8.912 2.270 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.156 3.444 13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.987 3.908 12.223 1.00 0.00 H new ATOM 773 N GLY A1117 -3.827 8.343 9.954 1.00 0.00 N ATOM 774 CA GLY A1117 -4.098 9.748 9.784 1.00 0.00 C ATOM 775 C GLY A1117 -3.336 10.332 8.623 1.00 0.00 C ATOM 776 O GLY A1117 -2.713 9.601 7.846 1.00 0.00 O ATOM 0 H GLY A1117 -3.527 7.858 9.108 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.167 9.895 9.627 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.833 10.282 10.697 1.00 0.00 H new ATOM 780 N VAL A1118 -3.393 11.647 8.496 1.00 0.00 N ATOM 781 CA VAL A1118 -2.712 12.337 7.417 1.00 0.00 C ATOM 782 C VAL A1118 -1.413 12.952 7.918 1.00 0.00 C ATOM 783 O VAL A1118 -1.416 13.817 8.796 1.00 0.00 O ATOM 784 CB VAL A1118 -3.600 13.436 6.804 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.997 13.963 5.509 1.00 0.00 C ATOM 786 CG2 VAL A1118 -5.010 12.912 6.576 1.00 0.00 C ATOM 0 H VAL A1118 -3.906 12.259 9.130 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.491 11.601 6.644 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.653 14.267 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.643 14.738 5.096 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -2.011 14.382 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.905 13.147 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.625 13.700 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.976 12.062 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.440 12.598 7.527 1.00 0.00 H new ATOM 796 N PHE A1119 -0.311 12.486 7.362 1.00 0.00 N ATOM 797 CA PHE A1119 1.017 12.914 7.781 1.00 0.00 C ATOM 798 C PHE A1119 1.690 13.774 6.715 1.00 0.00 C ATOM 799 O PHE A1119 1.521 13.545 5.515 1.00 0.00 O ATOM 800 CB PHE A1119 1.886 11.691 8.102 1.00 0.00 C ATOM 801 CG PHE A1119 1.852 10.608 7.057 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.872 9.629 7.097 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.797 10.563 6.045 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.838 8.628 6.151 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.765 9.559 5.095 1.00 0.00 C ATOM 806 CZ PHE A1119 1.781 8.591 5.148 1.00 0.00 C ATOM 0 H PHE A1119 -0.307 11.800 6.607 1.00 0.00 H new ATOM 0 HA PHE A1119 0.906 13.523 8.678 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.917 12.019 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.561 11.270 9.054 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.127 9.651 7.878 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.566 11.320 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.070 7.870 6.196 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.509 9.532 4.312 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.751 7.808 4.405 1.00 0.00 H new ATOM 816 N PRO A1120 2.450 14.791 7.146 1.00 0.00 N ATOM 817 CA PRO A1120 3.171 15.674 6.236 1.00 0.00 C ATOM 818 C PRO A1120 4.439 15.035 5.689 1.00 0.00 C ATOM 819 O PRO A1120 5.296 14.572 6.447 1.00 0.00 O ATOM 820 CB PRO A1120 3.522 16.872 7.115 1.00 0.00 C ATOM 821 CG PRO A1120 3.621 16.318 8.493 1.00 0.00 C ATOM 822 CD PRO A1120 2.654 15.166 8.560 1.00 0.00 C ATOM 0 HA PRO A1120 2.576 15.926 5.358 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.462 17.329 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A1120 2.756 17.645 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.637 15.985 8.705 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.373 17.077 9.235 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.060 14.336 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.717 15.458 9.035 1.00 0.00 H new ATOM 830 N VAL A1121 4.562 15.038 4.373 1.00 0.00 N ATOM 831 CA VAL A1121 5.734 14.495 3.703 1.00 0.00 C ATOM 832 C VAL A1121 6.971 15.340 4.033 1.00 0.00 C ATOM 833 O VAL A1121 8.108 14.904 3.859 1.00 0.00 O ATOM 834 CB VAL A1121 5.515 14.422 2.172 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.724 13.823 1.464 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.258 13.619 1.844 1.00 0.00 C ATOM 0 H VAL A1121 3.857 15.415 3.740 1.00 0.00 H new ATOM 0 HA VAL A1121 5.897 13.480 4.066 1.00 0.00 H new ATOM 0 HB VAL A1121 5.384 15.442 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.536 13.787 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.602 14.440 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.900 12.814 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.123 13.580 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.361 12.606 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.391 14.097 2.301 1.00 0.00 H new ATOM 846 N SER A1122 6.733 16.541 4.552 1.00 0.00 N ATOM 847 CA SER A1122 7.805 17.445 4.952 1.00 0.00 C ATOM 848 C SER A1122 8.668 16.842 6.064 1.00 0.00 C ATOM 849 O SER A1122 9.842 17.190 6.207 1.00 0.00 O ATOM 850 CB SER A1122 7.207 18.773 5.425 1.00 0.00 C ATOM 851 OG SER A1122 6.148 19.191 4.580 1.00 0.00 O ATOM 0 H SER A1122 5.796 16.913 4.706 1.00 0.00 H new ATOM 0 HA SER A1122 8.445 17.612 4.086 1.00 0.00 H new ATOM 0 HB2 SER A1122 6.840 18.666 6.446 1.00 0.00 H new ATOM 0 HB3 SER A1122 7.983 19.538 5.444 1.00 0.00 H new ATOM 0 HG SER A1122 6.518 19.581 3.760 1.00 0.00 H new ATOM 857 N PHE A1123 8.088 15.940 6.849 1.00 0.00 N ATOM 858 CA PHE A1123 8.784 15.378 8.002 1.00 0.00 C ATOM 859 C PHE A1123 9.026 13.878 7.815 1.00 0.00 C ATOM 860 O PHE A1123 9.537 13.196 8.714 1.00 0.00 O ATOM 861 CB PHE A1123 7.981 15.618 9.291 1.00 0.00 C ATOM 862 CG PHE A1123 7.785 17.069 9.682 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.304 18.002 8.776 1.00 0.00 C ATOM 864 CD2 PHE A1123 8.044 17.485 10.980 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.085 19.307 9.147 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.833 18.796 11.360 1.00 0.00 C ATOM 867 CZ PHE A1123 7.351 19.710 10.440 1.00 0.00 C ATOM 0 H PHE A1123 7.143 15.584 6.709 1.00 0.00 H new ATOM 0 HA PHE A1123 9.748 15.880 8.087 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.000 15.156 9.178 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.483 15.104 10.111 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.098 17.698 7.761 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.416 16.774 11.703 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.705 20.017 8.427 1.00 0.00 H new ATOM 0 HE2 PHE A1123 8.044 19.107 12.373 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.183 20.736 10.733 1.00 0.00 H new ATOM 877 N VAL A1124 8.670 13.362 6.646 1.00 0.00 N ATOM 878 CA VAL A1124 8.834 11.937 6.371 1.00 0.00 C ATOM 879 C VAL A1124 9.520 11.722 5.031 1.00 0.00 C ATOM 880 O VAL A1124 9.556 12.620 4.194 1.00 0.00 O ATOM 881 CB VAL A1124 7.491 11.161 6.391 1.00 0.00 C ATOM 882 CG1 VAL A1124 6.905 11.122 7.791 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.486 11.766 5.428 1.00 0.00 C ATOM 0 H VAL A1124 8.269 13.901 5.878 1.00 0.00 H new ATOM 0 HA VAL A1124 9.456 11.542 7.174 1.00 0.00 H new ATOM 0 HB VAL A1124 7.704 10.141 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A1124 5.964 10.572 7.776 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.604 10.627 8.464 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.725 12.139 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.557 11.198 5.468 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.291 12.801 5.709 1.00 0.00 H new ATOM 0 HG23 VAL A1124 6.888 11.734 4.415 1.00 0.00 H new ATOM 893 N HIS A1125 10.078 10.540 4.834 1.00 0.00 N ATOM 894 CA HIS A1125 10.780 10.238 3.599 1.00 0.00 C ATOM 895 C HIS A1125 10.257 8.937 3.008 1.00 0.00 C ATOM 896 O HIS A1125 10.036 7.963 3.729 1.00 0.00 O ATOM 897 CB HIS A1125 12.285 10.148 3.861 1.00 0.00 C ATOM 898 CG HIS A1125 13.124 10.461 2.662 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.127 11.698 2.053 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.997 9.699 1.963 1.00 0.00 C ATOM 901 CE1 HIS A1125 13.963 11.683 1.035 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.505 10.484 0.960 1.00 0.00 N ATOM 0 H HIS A1125 10.059 9.777 5.510 1.00 0.00 H new ATOM 0 HA HIS A1125 10.603 11.039 2.881 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.546 10.835 4.666 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.525 9.143 4.209 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.247 8.667 2.158 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.169 12.512 0.374 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.192 10.188 0.267 1.00 0.00 H new ATOM 911 N ILE A1126 10.055 8.933 1.700 1.00 0.00 N ATOM 912 CA ILE A1126 9.472 7.788 1.016 1.00 0.00 C ATOM 913 C ILE A1126 10.487 6.654 0.883 1.00 0.00 C ATOM 914 O ILE A1126 11.586 6.843 0.358 1.00 0.00 O ATOM 915 CB ILE A1126 8.919 8.180 -0.382 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.612 8.976 -0.259 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.692 6.947 -1.248 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.762 10.374 0.307 1.00 0.00 C ATOM 0 H ILE A1126 10.288 9.714 1.087 1.00 0.00 H new ATOM 0 HA ILE A1126 8.638 7.439 1.624 1.00 0.00 H new ATOM 0 HB ILE A1126 9.668 8.811 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.154 9.047 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.922 8.417 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.305 7.252 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.636 6.418 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.973 6.288 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.785 10.854 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.187 10.317 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.422 10.957 -0.335 1.00 0.00 H new ATOM 930 N LEU A1127 10.112 5.483 1.380 1.00 0.00 N ATOM 931 CA LEU A1127 10.973 4.310 1.319 1.00 0.00 C ATOM 932 C LEU A1127 10.739 3.537 0.036 1.00 0.00 C ATOM 933 O LEU A1127 11.618 2.822 -0.439 1.00 0.00 O ATOM 934 CB LEU A1127 10.732 3.405 2.526 1.00 0.00 C ATOM 935 CG LEU A1127 11.841 3.425 3.567 1.00 0.00 C ATOM 936 CD1 LEU A1127 12.083 4.842 4.064 1.00 0.00 C ATOM 937 CD2 LEU A1127 11.501 2.502 4.725 1.00 0.00 C ATOM 0 H LEU A1127 9.212 5.320 1.832 1.00 0.00 H new ATOM 0 HA LEU A1127 12.008 4.650 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A1127 9.798 3.701 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A1127 10.600 2.382 2.175 1.00 0.00 H new ATOM 0 HG LEU A1127 12.758 3.066 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.880 4.836 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A1127 12.373 5.477 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A1127 11.170 5.231 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A1127 12.305 2.529 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A1127 10.572 2.830 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A1127 11.381 1.484 4.355 1.00 0.00 H new ATOM 949 N SER A1128 9.542 3.675 -0.502 1.00 0.00 N ATOM 950 CA SER A1128 9.191 3.065 -1.776 1.00 0.00 C ATOM 951 C SER A1128 9.876 3.804 -2.922 1.00 0.00 C ATOM 952 O SER A1128 9.243 4.560 -3.663 1.00 0.00 O ATOM 953 CB SER A1128 7.676 3.098 -1.959 1.00 0.00 C ATOM 954 OG SER A1128 7.023 2.604 -0.805 1.00 0.00 O ATOM 0 H SER A1128 8.787 4.210 -0.073 1.00 0.00 H new ATOM 0 HA SER A1128 9.530 2.029 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A1128 7.351 4.119 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A1128 7.396 2.499 -2.826 1.00 0.00 H new ATOM 0 HG SER A1128 7.036 1.624 -0.816 1.00 0.00 H new ATOM 960 N ASP A1129 11.169 3.579 -3.056 1.00 0.00 N ATOM 961 CA ASP A1129 11.977 4.284 -4.032 1.00 0.00 C ATOM 962 C ASP A1129 13.074 3.371 -4.551 1.00 0.00 C ATOM 963 O ASP A1129 13.067 3.052 -5.756 1.00 0.00 O ATOM 964 CB ASP A1129 12.589 5.535 -3.400 1.00 0.00 C ATOM 965 CG ASP A1129 13.453 6.311 -4.367 1.00 0.00 C ATOM 966 OD1 ASP A1129 12.897 7.021 -5.228 1.00 0.00 O ATOM 967 OD2 ASP A1129 14.696 6.241 -4.256 1.00 0.00 O ATOM 968 OXT ASP A1129 13.912 2.931 -3.739 1.00 0.00 O ATOM 0 H ASP A1129 11.687 2.905 -2.493 1.00 0.00 H new ATOM 0 HA ASP A1129 11.344 4.586 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A1129 11.791 6.180 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A1129 13.187 5.246 -2.536 1.00 0.00 H new ATOM 974 N CYS B1578 17.637 8.098 13.215 1.00 0.00 N ATOM 975 CA CYS B1578 18.546 9.195 12.830 1.00 0.00 C ATOM 976 C CYS B1578 17.749 10.396 12.350 1.00 0.00 C ATOM 977 O CYS B1578 17.048 10.316 11.341 1.00 0.00 O ATOM 978 CB CYS B1578 19.475 8.722 11.713 1.00 0.00 C ATOM 979 SG CYS B1578 20.353 7.183 12.081 1.00 0.00 S ATOM 0 HA CYS B1578 19.135 9.485 13.700 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.891 8.585 10.803 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.206 9.504 11.508 1.00 0.00 H new ATOM 0 HG CYS B1578 21.112 6.865 11.074 1.00 0.00 H new ATOM 987 N ILE B1579 17.834 11.501 13.083 1.00 0.00 N ATOM 988 CA ILE B1579 17.179 12.728 12.665 1.00 0.00 C ATOM 989 C ILE B1579 17.850 13.281 11.425 1.00 0.00 C ATOM 990 O ILE B1579 19.068 13.470 11.394 1.00 0.00 O ATOM 991 CB ILE B1579 17.196 13.824 13.753 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.362 13.412 14.960 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.681 15.146 13.191 1.00 0.00 C ATOM 994 CD1 ILE B1579 16.195 14.530 15.968 1.00 0.00 C ATOM 0 H ILE B1579 18.347 11.569 13.962 1.00 0.00 H new ATOM 0 HA ILE B1579 16.140 12.464 12.466 1.00 0.00 H new ATOM 0 HB ILE B1579 18.229 13.955 14.077 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.379 13.084 14.622 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.833 12.558 15.447 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.701 15.906 13.972 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.316 15.461 12.363 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.659 15.017 12.836 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.592 14.178 16.805 1.00 0.00 H new ATOM 0 HD12 ILE B1579 17.174 14.842 16.331 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.698 15.376 15.494 1.00 0.00 H new ATOM 1006 N ILE B1580 17.058 13.523 10.407 1.00 0.00 N ATOM 1007 CA ILE B1580 17.551 14.155 9.206 1.00 0.00 C ATOM 1008 C ILE B1580 17.683 15.649 9.446 1.00 0.00 C ATOM 1009 O ILE B1580 16.708 16.314 9.722 1.00 0.00 O ATOM 1010 CB ILE B1580 16.619 13.867 7.997 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.007 12.548 7.328 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.624 14.998 6.976 1.00 0.00 C ATOM 1013 CD1 ILE B1580 16.927 11.360 8.252 1.00 0.00 C ATOM 0 H ILE B1580 16.065 13.291 10.387 1.00 0.00 H new ATOM 0 HA ILE B1580 18.530 13.742 8.964 1.00 0.00 H new ATOM 0 HB ILE B1580 15.604 13.790 8.387 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.354 12.378 6.472 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.023 12.630 6.942 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.957 14.747 6.151 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.284 15.918 7.451 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.635 15.139 6.594 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.216 10.459 7.711 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.601 11.509 9.095 1.00 0.00 H new ATOM 0 HD13 ILE B1580 15.906 11.252 8.618 1.00 0.00 H new ATOM 1025 N SER B1581 18.908 16.136 9.428 1.00 0.00 N ATOM 1026 CA SER B1581 19.171 17.567 9.436 1.00 0.00 C ATOM 1027 C SER B1581 18.515 18.293 10.623 1.00 0.00 C ATOM 1028 O SER B1581 18.333 17.713 11.699 1.00 0.00 O ATOM 1029 CB SER B1581 18.683 18.146 8.110 1.00 0.00 C ATOM 1030 OG SER B1581 19.452 17.635 7.031 1.00 0.00 O ATOM 0 H SER B1581 19.747 15.557 9.408 1.00 0.00 H new ATOM 0 HA SER B1581 20.244 17.720 9.554 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.631 17.899 7.964 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.755 19.233 8.133 1.00 0.00 H new ATOM 0 HG SER B1581 19.126 18.014 6.188 1.00 0.00 H new ATOM 1036 N ALA B1582 18.218 19.577 10.433 1.00 0.00 N ATOM 1037 CA ALA B1582 17.465 20.349 11.406 1.00 0.00 C ATOM 1038 C ALA B1582 15.978 20.272 11.088 1.00 0.00 C ATOM 1039 O ALA B1582 15.595 19.998 9.950 1.00 0.00 O ATOM 1040 CB ALA B1582 17.937 21.797 11.406 1.00 0.00 C ATOM 0 H ALA B1582 18.493 20.104 9.604 1.00 0.00 H new ATOM 0 HA ALA B1582 17.633 19.932 12.399 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.365 22.366 12.139 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.996 21.835 11.663 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.788 22.228 10.416 1.00 0.00 H new ATOM 1046 N MET B1583 15.149 20.531 12.091 1.00 0.00 N ATOM 1047 CA MET B1583 13.701 20.376 11.970 1.00 0.00 C ATOM 1048 C MET B1583 13.110 21.261 10.873 1.00 0.00 C ATOM 1049 O MET B1583 13.480 22.429 10.732 1.00 0.00 O ATOM 1050 CB MET B1583 13.034 20.687 13.313 1.00 0.00 C ATOM 1051 CG MET B1583 11.521 20.741 13.246 1.00 0.00 C ATOM 1052 SD MET B1583 10.746 19.872 14.617 1.00 0.00 S ATOM 1053 CE MET B1583 11.198 18.191 14.196 1.00 0.00 C ATOM 0 H MET B1583 15.457 20.853 13.008 1.00 0.00 H new ATOM 0 HA MET B1583 13.505 19.342 11.688 1.00 0.00 H new ATOM 0 HB2 MET B1583 13.330 19.930 14.039 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.407 21.643 13.680 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.196 21.782 13.248 1.00 0.00 H new ATOM 0 HG3 MET B1583 11.185 20.304 12.305 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.738 17.502 14.905 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.849 17.962 13.189 1.00 0.00 H new ATOM 0 HE3 MET B1583 12.282 18.084 14.238 1.00 0.00 H new ATOM 1063 N PRO B1584 12.170 20.704 10.084 1.00 0.00 N ATOM 1064 CA PRO B1584 11.475 21.422 9.038 1.00 0.00 C ATOM 1065 C PRO B1584 10.229 22.098 9.576 1.00 0.00 C ATOM 1066 O PRO B1584 9.952 22.055 10.777 1.00 0.00 O ATOM 1067 CB PRO B1584 11.109 20.309 8.064 1.00 0.00 C ATOM 1068 CG PRO B1584 10.827 19.144 8.941 1.00 0.00 C ATOM 1069 CD PRO B1584 11.692 19.314 10.166 1.00 0.00 C ATOM 0 HA PRO B1584 12.069 22.219 8.590 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.240 20.575 7.462 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.925 20.100 7.372 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.772 19.109 9.212 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.056 18.209 8.430 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.125 19.142 11.081 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.522 18.607 10.168 1.00 0.00 H new ATOM 1077 N THR B1585 9.477 22.702 8.694 1.00 0.00 N ATOM 1078 CA THR B1585 8.291 23.420 9.087 1.00 0.00 C ATOM 1079 C THR B1585 7.071 22.742 8.493 1.00 0.00 C ATOM 1080 O THR B1585 7.104 22.294 7.345 1.00 0.00 O ATOM 1081 CB THR B1585 8.349 24.884 8.604 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.606 25.472 8.968 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.214 25.701 9.201 1.00 0.00 C ATOM 0 H THR B1585 9.666 22.711 7.692 1.00 0.00 H new ATOM 0 HA THR B1585 8.228 23.416 10.175 1.00 0.00 H new ATOM 0 HB THR B1585 8.245 24.886 7.519 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.635 26.401 8.656 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.279 26.729 8.844 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.259 25.272 8.899 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.290 25.689 10.288 1.00 0.00 H new ATOM 1091 N LYS B1586 6.021 22.621 9.293 1.00 0.00 N ATOM 1092 CA LYS B1586 4.744 22.135 8.803 1.00 0.00 C ATOM 1093 C LYS B1586 4.308 22.994 7.625 1.00 0.00 C ATOM 1094 O LYS B1586 3.841 24.118 7.803 1.00 0.00 O ATOM 1095 CB LYS B1586 3.703 22.202 9.909 1.00 0.00 C ATOM 1096 CG LYS B1586 2.404 21.500 9.577 1.00 0.00 C ATOM 1097 CD LYS B1586 1.292 21.984 10.483 1.00 0.00 C ATOM 1098 CE LYS B1586 1.640 21.799 11.955 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.811 22.661 12.832 1.00 0.00 N ATOM 0 H LYS B1586 6.031 22.854 10.286 1.00 0.00 H new ATOM 0 HA LYS B1586 4.845 21.098 8.483 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.121 21.761 10.814 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.492 23.248 10.132 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.139 21.686 8.536 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.528 20.423 9.687 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.095 23.038 10.286 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.375 21.440 10.255 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.498 20.755 12.233 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.694 22.030 12.111 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.079 22.505 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.966 23.659 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 -0.193 22.424 12.703 1.00 0.00 H new ATOM 1113 N SER B1587 4.461 22.453 6.428 1.00 0.00 N ATOM 1114 CA SER B1587 4.296 23.219 5.198 1.00 0.00 C ATOM 1115 C SER B1587 2.821 23.437 4.854 1.00 0.00 C ATOM 1116 O SER B1587 2.467 23.650 3.695 1.00 0.00 O ATOM 1117 CB SER B1587 5.023 22.496 4.060 1.00 0.00 C ATOM 1118 OG SER B1587 5.027 23.249 2.857 1.00 0.00 O ATOM 0 H SER B1587 4.702 21.473 6.279 1.00 0.00 H new ATOM 0 HA SER B1587 4.731 24.208 5.342 1.00 0.00 H new ATOM 0 HB2 SER B1587 6.050 22.291 4.361 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.545 21.533 3.881 1.00 0.00 H new ATOM 0 HG SER B1587 4.832 22.658 2.100 1.00 0.00 H new ATOM 1124 N SER B1588 1.977 23.394 5.884 1.00 0.00 N ATOM 1125 CA SER B1588 0.542 23.616 5.757 1.00 0.00 C ATOM 1126 C SER B1588 -0.134 22.557 4.886 1.00 0.00 C ATOM 1127 O SER B1588 0.262 22.295 3.748 1.00 0.00 O ATOM 1128 CB SER B1588 0.256 25.018 5.209 1.00 0.00 C ATOM 1129 OG SER B1588 0.831 26.013 6.039 1.00 0.00 O ATOM 0 H SER B1588 2.276 23.202 6.840 1.00 0.00 H new ATOM 0 HA SER B1588 0.118 23.533 6.758 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.655 25.106 4.199 1.00 0.00 H new ATOM 0 HB3 SER B1588 -0.821 25.173 5.141 1.00 0.00 H new ATOM 0 HG SER B1588 0.637 26.900 5.669 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.154 21.933 5.442 1.00 0.00 N ATOM 1136 CA ARG B1589 -1.951 20.985 4.694 1.00 0.00 C ATOM 1137 C ARG B1589 -2.905 21.749 3.797 1.00 0.00 C ATOM 1138 O ARG B1589 -3.861 22.356 4.258 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.684 20.055 5.654 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.594 19.037 4.994 1.00 0.00 C ATOM 1141 CD ARG B1589 -4.008 17.994 6.009 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.080 17.128 5.532 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.789 16.322 6.320 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.552 16.264 7.622 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.737 15.568 5.804 1.00 0.00 N ATOM 0 H ARG B1589 -1.449 22.066 6.409 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.316 20.362 4.064 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -1.946 19.524 6.255 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.278 20.660 6.339 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.475 19.532 4.586 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.080 18.562 4.158 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.143 17.383 6.267 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -4.331 18.493 6.923 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.300 17.140 4.536 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -4.818 16.841 8.033 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.103 15.642 8.213 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -6.927 15.602 4.802 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.281 14.950 6.406 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.615 21.717 2.514 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.267 22.594 1.549 1.00 0.00 C ATOM 1161 C LYS B1590 -4.663 22.086 1.205 1.00 0.00 C ATOM 1162 O LYS B1590 -5.467 22.793 0.599 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.395 22.692 0.297 1.00 0.00 C ATOM 1164 CG LYS B1590 -0.924 22.903 0.622 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.042 22.696 -0.593 1.00 0.00 C ATOM 1166 CE LYS B1590 1.420 22.553 -0.198 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.640 21.394 0.713 1.00 0.00 N ATOM 0 H LYS B1590 -1.924 21.087 2.106 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.383 23.586 1.985 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.506 21.781 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.748 23.516 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.779 23.912 1.009 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.624 22.213 1.411 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.364 21.804 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.156 23.539 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS B1590 2.028 22.430 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.755 23.468 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.652 21.153 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.327 21.643 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.095 20.576 0.372 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.943 20.855 1.605 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.249 20.262 1.387 1.00 0.00 C ATOM 1183 C ALA B1591 -7.190 20.585 2.544 1.00 0.00 C ATOM 1184 O ALA B1591 -8.402 20.394 2.443 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.120 18.761 1.199 1.00 0.00 C ATOM 0 H ALA B1591 -4.279 20.247 2.084 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.675 20.688 0.479 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.107 18.329 1.036 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.487 18.556 0.336 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.673 18.320 2.090 1.00 0.00 H new