USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 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+ -171:sc= 0.511 (180deg=0.315) USER MOD Single : A1074 THR OG1 : rot 129:sc= 1.49 USER MOD Single : A1076 TYR OH : rot -171:sc= -0.94 USER MOD Single : A1078 CYS SG : rot 105:sc= -2.07! USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A1082 ASN : amide:sc= 0.0654 K(o=0.065,f=-2.7!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.974 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A1102 GLN : amide:sc=-0.00831 X(o=-0.0083,f=-0.025) USER MOD Single : A1108 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A1112 GLN :FLIP amide:sc= -0.284 F(o=-0.99!,f=-0.28) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -74:sc= 1.26 USER MOD Single : A1125 HIS : no HD1:sc= -0.0584 X(o=-0.058,f=0) USER MOD Single : A1128 SER OG : rot 180:sc= -0.0381 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 -160:sc= -0.0521 (180deg=-0.442) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -167:sc= 0.823! (180deg=-0.514!) USER MOD Single : B1587 SER OG : rot 178:sc= 0.88 USER MOD Single : B1588 SER OG : rot 180:sc= 0.0508 USER MOD Single : B1590 LYS NZ :NH3+ -179:sc= 0.966 (180deg=0.939) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 2.775 2.317 0.039 1.00 0.00 N ATOM 20 CA ARG A1070 4.013 3.068 -0.076 1.00 0.00 C ATOM 21 C ARG A1070 4.618 3.221 1.310 1.00 0.00 C ATOM 22 O ARG A1070 3.962 3.710 2.217 1.00 0.00 O ATOM 23 CB ARG A1070 3.732 4.433 -0.705 1.00 0.00 C ATOM 24 CG ARG A1070 4.952 5.086 -1.330 1.00 0.00 C ATOM 25 CD ARG A1070 4.562 6.306 -2.152 1.00 0.00 C ATOM 26 NE ARG A1070 3.474 6.010 -3.089 1.00 0.00 N ATOM 27 CZ ARG A1070 2.619 6.922 -3.557 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.740 8.195 -3.201 1.00 0.00 N ATOM 29 NH2 ARG A1070 1.645 6.564 -4.383 1.00 0.00 N ATOM 0 HA ARG A1070 4.719 2.541 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.962 4.319 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A1070 3.328 5.098 0.059 1.00 0.00 H new ATOM 0 HG2 ARG A1070 5.652 5.380 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.468 4.366 -1.965 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.256 7.111 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A1070 5.430 6.663 -2.705 1.00 0.00 H new ATOM 0 HE ARG A1070 3.363 5.046 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.488 8.479 -2.568 1.00 0.00 H new ATOM 0 HH12 ARG A1070 2.085 8.890 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A1070 1.547 5.588 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A1070 0.994 7.265 -4.738 1.00 0.00 H new ATOM 43 N ARG A1071 5.846 2.791 1.492 1.00 0.00 N ATOM 44 CA ARG A1071 6.420 2.756 2.829 1.00 0.00 C ATOM 45 C ARG A1071 7.293 3.976 3.083 1.00 0.00 C ATOM 46 O ARG A1071 8.169 4.302 2.284 1.00 0.00 O ATOM 47 CB ARG A1071 7.220 1.471 3.023 1.00 0.00 C ATOM 48 CG ARG A1071 7.578 1.180 4.467 1.00 0.00 C ATOM 49 CD ARG A1071 8.065 -0.248 4.621 1.00 0.00 C ATOM 50 NE ARG A1071 8.315 -0.607 6.015 1.00 0.00 N ATOM 51 CZ ARG A1071 9.520 -0.649 6.579 1.00 0.00 C ATOM 52 NH1 ARG A1071 10.610 -0.347 5.876 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.628 -1.003 7.855 1.00 0.00 N ATOM 0 H ARG A1071 6.463 2.464 0.748 1.00 0.00 H new ATOM 0 HA ARG A1071 5.605 2.775 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.646 0.634 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A1071 8.137 1.534 2.438 1.00 0.00 H new ATOM 0 HG2 ARG A1071 8.351 1.871 4.802 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.708 1.343 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.324 -0.928 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.981 -0.380 4.045 1.00 0.00 H new ATOM 0 HE ARG A1071 7.510 -0.842 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A1071 10.527 -0.080 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A1071 11.528 -0.383 6.318 1.00 0.00 H new ATOM 0 HH21 ARG A1071 8.793 -1.239 8.391 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.546 -1.039 8.298 1.00 0.00 H new ATOM 67 N VAL A1072 7.024 4.663 4.184 1.00 0.00 N ATOM 68 CA VAL A1072 7.820 5.811 4.588 1.00 0.00 C ATOM 69 C VAL A1072 8.262 5.652 6.037 1.00 0.00 C ATOM 70 O VAL A1072 7.595 4.983 6.828 1.00 0.00 O ATOM 71 CB VAL A1072 7.040 7.143 4.442 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.526 7.323 3.023 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.889 7.223 5.436 1.00 0.00 C ATOM 0 H VAL A1072 6.255 4.442 4.817 1.00 0.00 H new ATOM 0 HA VAL A1072 8.686 5.851 3.928 1.00 0.00 H new ATOM 0 HB VAL A1072 7.736 7.953 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.983 8.265 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.367 7.334 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.859 6.499 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.362 8.169 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.199 6.397 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.280 7.161 6.451 1.00 0.00 H new ATOM 83 N LYS A1073 9.384 6.256 6.380 1.00 0.00 N ATOM 84 CA LYS A1073 9.873 6.213 7.749 1.00 0.00 C ATOM 85 C LYS A1073 9.976 7.633 8.276 1.00 0.00 C ATOM 86 O LYS A1073 10.472 8.528 7.584 1.00 0.00 O ATOM 87 CB LYS A1073 11.232 5.501 7.813 1.00 0.00 C ATOM 88 CG LYS A1073 11.593 4.921 9.179 1.00 0.00 C ATOM 89 CD LYS A1073 12.077 5.975 10.166 1.00 0.00 C ATOM 90 CE LYS A1073 13.361 6.637 9.698 1.00 0.00 C ATOM 91 NZ LYS A1073 13.919 7.565 10.717 1.00 0.00 N ATOM 0 H LYS A1073 9.973 6.781 5.734 1.00 0.00 H new ATOM 0 HA LYS A1073 9.179 5.648 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.238 4.695 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.009 6.206 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.721 4.416 9.595 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.369 4.166 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.304 6.732 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.240 5.514 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.099 5.870 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.170 7.186 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.704 8.106 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.176 8.220 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.268 7.019 11.530 1.00 0.00 H new ATOM 105 N THR A1074 9.492 7.839 9.485 1.00 0.00 N ATOM 106 CA THR A1074 9.487 9.156 10.079 1.00 0.00 C ATOM 107 C THR A1074 10.899 9.571 10.450 1.00 0.00 C ATOM 108 O THR A1074 11.559 8.939 11.279 1.00 0.00 O ATOM 109 CB THR A1074 8.572 9.200 11.316 1.00 0.00 C ATOM 110 OG1 THR A1074 9.062 8.319 12.325 1.00 0.00 O ATOM 111 CG2 THR A1074 7.157 8.792 10.946 1.00 0.00 C ATOM 0 H THR A1074 9.096 7.107 10.075 1.00 0.00 H new ATOM 0 HA THR A1074 9.095 9.859 9.344 1.00 0.00 H new ATOM 0 HB THR A1074 8.565 10.222 11.696 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.129 8.801 13.176 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.524 8.829 11.833 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.766 9.476 10.193 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.163 7.778 10.547 1.00 0.00 H new ATOM 119 N ILE A1075 11.377 10.614 9.803 1.00 0.00 N ATOM 120 CA ILE A1075 12.712 11.112 10.057 1.00 0.00 C ATOM 121 C ILE A1075 12.646 12.287 11.006 1.00 0.00 C ATOM 122 O ILE A1075 13.662 12.892 11.354 1.00 0.00 O ATOM 123 CB ILE A1075 13.415 11.532 8.757 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.483 12.377 7.885 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.889 10.302 7.999 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.130 12.903 6.620 1.00 0.00 C ATOM 0 H ILE A1075 10.859 11.134 9.095 1.00 0.00 H new ATOM 0 HA ILE A1075 13.292 10.306 10.506 1.00 0.00 H new ATOM 0 HB ILE A1075 14.282 12.141 9.012 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.614 11.778 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.119 13.220 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.386 10.611 7.079 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.588 9.740 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.033 9.672 7.755 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.405 13.491 6.058 1.00 0.00 H new ATOM 0 HD12 ILE A1075 13.982 13.531 6.881 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.469 12.066 6.010 1.00 0.00 H new ATOM 138 N TYR A1076 11.429 12.593 11.416 1.00 0.00 N ATOM 139 CA TYR A1076 11.166 13.687 12.326 1.00 0.00 C ATOM 140 C TYR A1076 9.995 13.395 13.241 1.00 0.00 C ATOM 141 O TYR A1076 9.285 12.402 13.076 1.00 0.00 O ATOM 142 CB TYR A1076 10.877 14.963 11.547 1.00 0.00 C ATOM 143 CG TYR A1076 12.114 15.671 11.096 1.00 0.00 C ATOM 144 CD1 TYR A1076 12.785 16.509 11.971 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.628 15.504 9.811 1.00 0.00 C ATOM 146 CE1 TYR A1076 13.922 17.153 11.588 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.765 16.158 9.432 1.00 0.00 C ATOM 148 CZ TYR A1076 14.402 16.978 10.327 1.00 0.00 C ATOM 149 OH TYR A1076 15.539 17.608 9.969 1.00 0.00 O ATOM 0 H TYR A1076 10.593 12.086 11.125 1.00 0.00 H new ATOM 0 HA TYR A1076 12.059 13.814 12.939 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.268 14.719 10.677 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.288 15.636 12.170 1.00 0.00 H new ATOM 0 HD1 TYR A1076 12.401 16.654 12.970 1.00 0.00 H new ATOM 0 HD2 TYR A1076 12.124 14.854 9.111 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.440 17.799 12.281 1.00 0.00 H new ATOM 0 HE2 TYR A1076 14.159 16.030 8.435 1.00 0.00 H new ATOM 0 HH TYR A1076 15.680 17.506 9.004 1.00 0.00 H new ATOM 159 N ASP A1077 9.807 14.291 14.195 1.00 0.00 N ATOM 160 CA ASP A1077 8.717 14.206 15.143 1.00 0.00 C ATOM 161 C ASP A1077 7.705 15.285 14.807 1.00 0.00 C ATOM 162 O ASP A1077 8.011 16.475 14.898 1.00 0.00 O ATOM 163 CB ASP A1077 9.227 14.408 16.574 1.00 0.00 C ATOM 164 CG ASP A1077 10.372 13.482 16.935 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.109 12.367 17.430 1.00 0.00 O ATOM 166 OD2 ASP A1077 11.542 13.869 16.736 1.00 0.00 O ATOM 0 H ASP A1077 10.411 15.101 14.332 1.00 0.00 H new ATOM 0 HA ASP A1077 8.259 13.219 15.080 1.00 0.00 H new ATOM 0 HB2 ASP A1077 9.552 15.441 16.695 1.00 0.00 H new ATOM 0 HB3 ASP A1077 8.405 14.249 17.272 1.00 0.00 H new ATOM 171 N CYS A1078 6.518 14.877 14.405 1.00 0.00 N ATOM 172 CA CYS A1078 5.497 15.823 13.998 1.00 0.00 C ATOM 173 C CYS A1078 4.220 15.582 14.768 1.00 0.00 C ATOM 174 O CYS A1078 3.871 14.444 15.075 1.00 0.00 O ATOM 175 CB CYS A1078 5.218 15.724 12.501 1.00 0.00 C ATOM 176 SG CYS A1078 4.009 16.929 11.900 1.00 0.00 S ATOM 0 H CYS A1078 6.236 13.898 14.351 1.00 0.00 H new ATOM 0 HA CYS A1078 5.867 16.825 14.216 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.153 15.860 11.957 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.860 14.720 12.274 1.00 0.00 H new ATOM 0 HG CYS A1078 4.623 17.874 11.253 1.00 0.00 H new ATOM 182 N GLN A1079 3.518 16.655 15.058 1.00 0.00 N ATOM 183 CA GLN A1079 2.295 16.563 15.838 1.00 0.00 C ATOM 184 C GLN A1079 1.133 17.236 15.122 1.00 0.00 C ATOM 185 O GLN A1079 1.305 18.227 14.407 1.00 0.00 O ATOM 186 CB GLN A1079 2.523 17.164 17.223 1.00 0.00 C ATOM 187 CG GLN A1079 1.313 17.131 18.143 1.00 0.00 C ATOM 188 CD GLN A1079 1.619 17.727 19.504 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.446 18.632 19.626 1.00 0.00 O ATOM 190 NE2 GLN A1079 0.980 17.209 20.538 1.00 0.00 N ATOM 0 H GLN A1079 3.768 17.600 14.768 1.00 0.00 H new ATOM 0 HA GLN A1079 2.030 15.512 15.955 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.342 16.629 17.705 1.00 0.00 H new ATOM 0 HB3 GLN A1079 2.844 18.199 17.105 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.492 17.681 17.683 1.00 0.00 H new ATOM 0 HG3 GLN A1079 0.978 16.101 18.265 1.00 0.00 H new ATOM 0 HE21 GLN A1079 0.302 16.460 20.396 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.165 17.558 21.479 1.00 0.00 H new ATOM 199 N ALA A1080 -0.041 16.650 15.313 1.00 0.00 N ATOM 200 CA ALA A1080 -1.280 17.093 14.682 1.00 0.00 C ATOM 201 C ALA A1080 -1.717 18.471 15.166 1.00 0.00 C ATOM 202 O ALA A1080 -1.557 18.809 16.338 1.00 0.00 O ATOM 203 CB ALA A1080 -2.375 16.082 14.984 1.00 0.00 C ATOM 0 H ALA A1080 -0.163 15.840 15.921 1.00 0.00 H new ATOM 0 HA ALA A1080 -1.102 17.166 13.609 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.306 16.403 14.517 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -2.089 15.107 14.590 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.516 16.010 16.062 1.00 0.00 H new ATOM 209 N ASP A1081 -2.278 19.261 14.251 1.00 0.00 N ATOM 210 CA ASP A1081 -2.867 20.551 14.605 1.00 0.00 C ATOM 211 C ASP A1081 -4.307 20.356 15.023 1.00 0.00 C ATOM 212 O ASP A1081 -4.811 21.041 15.911 1.00 0.00 O ATOM 213 CB ASP A1081 -2.842 21.534 13.430 1.00 0.00 C ATOM 214 CG ASP A1081 -1.454 21.782 12.905 1.00 0.00 C ATOM 215 OD1 ASP A1081 -0.741 22.640 13.467 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.057 21.098 11.942 1.00 0.00 O ATOM 0 H ASP A1081 -2.337 19.030 13.259 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.273 20.963 15.421 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -3.466 21.146 12.625 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -3.281 22.481 13.745 1.00 0.00 H new ATOM 221 N ASN A1082 -4.967 19.415 14.370 1.00 0.00 N ATOM 222 CA ASN A1082 -6.374 19.173 14.613 1.00 0.00 C ATOM 223 C ASN A1082 -6.628 17.672 14.732 1.00 0.00 C ATOM 224 O ASN A1082 -5.699 16.884 14.574 1.00 0.00 O ATOM 225 CB ASN A1082 -7.215 19.783 13.489 1.00 0.00 C ATOM 226 CG ASN A1082 -8.635 20.092 13.926 1.00 0.00 C ATOM 227 OD1 ASN A1082 -9.523 19.250 13.830 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.853 21.302 14.409 1.00 0.00 N ATOM 0 H ASN A1082 -4.548 18.806 13.667 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.665 19.648 15.550 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.739 20.699 13.140 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -7.240 19.095 12.644 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -9.788 21.566 14.719 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -8.086 21.972 14.472 1.00 0.00 H new ATOM 235 N ASP A1083 -7.867 17.280 14.987 1.00 0.00 N ATOM 236 CA ASP A1083 -8.193 15.882 15.279 1.00 0.00 C ATOM 237 C ASP A1083 -7.847 14.944 14.116 1.00 0.00 C ATOM 238 O ASP A1083 -7.308 13.855 14.325 1.00 0.00 O ATOM 239 CB ASP A1083 -9.683 15.756 15.620 1.00 0.00 C ATOM 240 CG ASP A1083 -10.084 14.338 15.980 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.933 13.955 17.158 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.552 13.602 15.089 1.00 0.00 O ATOM 0 H ASP A1083 -8.670 17.909 14.999 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.586 15.580 16.132 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.918 16.418 16.453 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -10.276 16.092 14.769 1.00 0.00 H new ATOM 247 N ASP A1084 -8.111 15.385 12.894 1.00 0.00 N ATOM 248 CA ASP A1084 -7.959 14.528 11.722 1.00 0.00 C ATOM 249 C ASP A1084 -6.597 14.712 11.065 1.00 0.00 C ATOM 250 O ASP A1084 -6.496 14.952 9.863 1.00 0.00 O ATOM 251 CB ASP A1084 -9.089 14.776 10.713 1.00 0.00 C ATOM 252 CG ASP A1084 -9.371 16.248 10.478 1.00 0.00 C ATOM 253 OD1 ASP A1084 -10.115 16.844 11.287 1.00 0.00 O ATOM 254 OD2 ASP A1084 -8.874 16.816 9.480 1.00 0.00 O ATOM 0 H ASP A1084 -8.432 16.331 12.686 1.00 0.00 H new ATOM 0 HA ASP A1084 -8.023 13.494 12.062 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.829 14.307 9.764 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -9.998 14.291 11.069 1.00 0.00 H new ATOM 259 N GLU A1085 -5.554 14.600 11.871 1.00 0.00 N ATOM 260 CA GLU A1085 -4.187 14.625 11.376 1.00 0.00 C ATOM 261 C GLU A1085 -3.437 13.423 11.940 1.00 0.00 C ATOM 262 O GLU A1085 -4.033 12.570 12.599 1.00 0.00 O ATOM 263 CB GLU A1085 -3.472 15.906 11.801 1.00 0.00 C ATOM 264 CG GLU A1085 -4.165 17.184 11.376 1.00 0.00 C ATOM 265 CD GLU A1085 -3.928 17.545 9.927 1.00 0.00 C ATOM 266 OE1 GLU A1085 -2.892 18.161 9.629 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.806 17.255 9.093 1.00 0.00 O ATOM 0 H GLU A1085 -5.630 14.490 12.882 1.00 0.00 H new ATOM 0 HA GLU A1085 -4.209 14.588 10.287 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.370 15.907 12.886 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -2.464 15.899 11.386 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -5.237 17.081 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -3.820 18.003 12.007 1.00 0.00 H new ATOM 274 N LEU A1086 -2.140 13.356 11.696 1.00 0.00 N ATOM 275 CA LEU A1086 -1.323 12.285 12.256 1.00 0.00 C ATOM 276 C LEU A1086 -0.152 12.843 13.063 1.00 0.00 C ATOM 277 O LEU A1086 0.650 13.627 12.552 1.00 0.00 O ATOM 278 CB LEU A1086 -0.775 11.375 11.152 1.00 0.00 C ATOM 279 CG LEU A1086 -0.089 10.102 11.652 1.00 0.00 C ATOM 280 CD1 LEU A1086 -1.118 9.078 12.079 1.00 0.00 C ATOM 281 CD2 LEU A1086 0.813 9.517 10.585 1.00 0.00 C ATOM 0 H LEU A1086 -1.629 14.024 11.118 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.969 11.706 12.916 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.595 11.094 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.064 11.943 10.552 1.00 0.00 H new ATOM 0 HG LEU A1086 0.524 10.368 12.513 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.612 8.179 12.432 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.729 9.489 12.882 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.755 8.827 11.231 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.288 8.613 10.966 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.221 9.272 9.703 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.579 10.245 10.317 1.00 0.00 H new ATOM 293 N THR A1087 -0.064 12.439 14.323 1.00 0.00 N ATOM 294 CA THR A1087 1.102 12.735 15.140 1.00 0.00 C ATOM 295 C THR A1087 2.045 11.535 15.129 1.00 0.00 C ATOM 296 O THR A1087 1.661 10.430 15.514 1.00 0.00 O ATOM 297 CB THR A1087 0.714 13.076 16.598 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.164 14.211 16.627 1.00 0.00 O ATOM 299 CG2 THR A1087 1.946 13.361 17.449 1.00 0.00 C ATOM 0 H THR A1087 -0.789 11.904 14.801 1.00 0.00 H new ATOM 0 HA THR A1087 1.596 13.609 14.716 1.00 0.00 H new ATOM 0 HB THR A1087 0.202 12.209 17.015 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.404 14.416 17.555 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.638 13.597 18.468 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.592 12.483 17.459 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.490 14.207 17.029 1.00 0.00 H new ATOM 307 N PHE A1088 3.266 11.748 14.670 1.00 0.00 N ATOM 308 CA PHE A1088 4.246 10.675 14.587 1.00 0.00 C ATOM 309 C PHE A1088 5.580 11.143 15.149 1.00 0.00 C ATOM 310 O PHE A1088 5.883 12.333 15.121 1.00 0.00 O ATOM 311 CB PHE A1088 4.407 10.189 13.136 1.00 0.00 C ATOM 312 CG PHE A1088 4.827 11.255 12.151 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.133 11.722 12.116 1.00 0.00 C ATOM 314 CD2 PHE A1088 3.916 11.778 11.249 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.517 12.685 11.207 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.298 12.740 10.337 1.00 0.00 C ATOM 317 CZ PHE A1088 5.599 13.193 10.316 1.00 0.00 C ATOM 0 H PHE A1088 3.604 12.655 14.348 1.00 0.00 H new ATOM 0 HA PHE A1088 3.891 9.834 15.183 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.144 9.386 13.117 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.461 9.761 12.804 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.859 11.326 12.810 1.00 0.00 H new ATOM 0 HD2 PHE A1088 2.894 11.429 11.260 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.537 13.040 11.194 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.577 13.138 9.639 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.898 13.946 9.601 1.00 0.00 H new ATOM 327 N ILE A1089 6.368 10.216 15.668 1.00 0.00 N ATOM 328 CA ILE A1089 7.677 10.560 16.202 1.00 0.00 C ATOM 329 C ILE A1089 8.778 9.837 15.444 1.00 0.00 C ATOM 330 O ILE A1089 8.541 8.802 14.812 1.00 0.00 O ATOM 331 CB ILE A1089 7.812 10.289 17.727 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.881 8.787 18.049 1.00 0.00 C ATOM 333 CG2 ILE A1089 6.664 10.949 18.481 1.00 0.00 C ATOM 334 CD1 ILE A1089 6.635 8.013 17.695 1.00 0.00 C ATOM 0 H ILE A1089 6.128 9.227 15.731 1.00 0.00 H new ATOM 0 HA ILE A1089 7.784 11.636 16.062 1.00 0.00 H new ATOM 0 HB ILE A1089 8.755 10.727 18.055 1.00 0.00 H new ATOM 0 HG12 ILE A1089 8.727 8.353 17.516 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.079 8.665 19.114 1.00 0.00 H new ATOM 0 HG21 ILE A1089 6.769 10.753 19.548 1.00 0.00 H new ATOM 0 HG22 ILE A1089 6.685 12.025 18.306 1.00 0.00 H new ATOM 0 HG23 ILE A1089 5.716 10.542 18.129 1.00 0.00 H new ATOM 0 HD11 ILE A1089 6.772 6.964 17.956 1.00 0.00 H new ATOM 0 HD12 ILE A1089 5.787 8.417 18.248 1.00 0.00 H new ATOM 0 HD13 ILE A1089 6.445 8.099 16.625 1.00 0.00 H new ATOM 346 N GLU A1090 9.974 10.400 15.512 1.00 0.00 N ATOM 347 CA GLU A1090 11.104 9.935 14.727 1.00 0.00 C ATOM 348 C GLU A1090 11.448 8.489 15.075 1.00 0.00 C ATOM 349 O GLU A1090 11.664 8.153 16.240 1.00 0.00 O ATOM 350 CB GLU A1090 12.304 10.856 14.971 1.00 0.00 C ATOM 351 CG GLU A1090 13.394 10.766 13.913 1.00 0.00 C ATOM 352 CD GLU A1090 14.256 9.533 14.041 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.020 9.432 15.024 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.203 8.665 13.147 1.00 0.00 O ATOM 0 H GLU A1090 10.188 11.194 16.115 1.00 0.00 H new ATOM 0 HA GLU A1090 10.841 9.965 13.670 1.00 0.00 H new ATOM 0 HB2 GLU A1090 11.951 11.886 15.024 1.00 0.00 H new ATOM 0 HB3 GLU A1090 12.737 10.617 15.942 1.00 0.00 H new ATOM 0 HG2 GLU A1090 12.933 10.776 12.925 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.027 11.651 13.978 1.00 0.00 H new ATOM 361 N GLY A1091 11.482 7.640 14.057 1.00 0.00 N ATOM 362 CA GLY A1091 11.801 6.239 14.259 1.00 0.00 C ATOM 363 C GLY A1091 10.641 5.337 13.904 1.00 0.00 C ATOM 364 O GLY A1091 10.789 4.115 13.825 1.00 0.00 O ATOM 0 H GLY A1091 11.293 7.898 13.088 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.666 5.973 13.652 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.081 6.077 15.300 1.00 0.00 H new ATOM 368 N GLU A1092 9.484 5.940 13.685 1.00 0.00 N ATOM 369 CA GLU A1092 8.287 5.193 13.323 1.00 0.00 C ATOM 370 C GLU A1092 8.225 4.937 11.824 1.00 0.00 C ATOM 371 O GLU A1092 8.854 5.639 11.032 1.00 0.00 O ATOM 372 CB GLU A1092 7.029 5.933 13.775 1.00 0.00 C ATOM 373 CG GLU A1092 6.753 5.807 15.258 1.00 0.00 C ATOM 374 CD GLU A1092 6.655 4.370 15.727 1.00 0.00 C ATOM 375 OE1 GLU A1092 5.611 3.729 15.487 1.00 0.00 O ATOM 376 OE2 GLU A1092 7.624 3.872 16.339 1.00 0.00 O ATOM 0 H GLU A1092 9.347 6.949 13.752 1.00 0.00 H new ATOM 0 HA GLU A1092 8.336 4.231 13.834 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.127 6.988 13.520 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.173 5.549 13.220 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.545 6.310 15.812 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.822 6.323 15.493 1.00 0.00 H new ATOM 383 N VAL A1093 7.463 3.926 11.444 1.00 0.00 N ATOM 384 CA VAL A1093 7.279 3.589 10.039 1.00 0.00 C ATOM 385 C VAL A1093 5.804 3.638 9.680 1.00 0.00 C ATOM 386 O VAL A1093 4.982 2.986 10.318 1.00 0.00 O ATOM 387 CB VAL A1093 7.833 2.188 9.698 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.622 1.870 8.223 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.305 2.091 10.058 1.00 0.00 C ATOM 0 H VAL A1093 6.958 3.320 12.091 1.00 0.00 H new ATOM 0 HA VAL A1093 7.835 4.325 9.458 1.00 0.00 H new ATOM 0 HB VAL A1093 7.286 1.453 10.289 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.019 0.879 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.556 1.892 7.995 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.139 2.611 7.613 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.675 1.096 9.810 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.867 2.838 9.497 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.431 2.269 11.126 1.00 0.00 H new ATOM 399 N ILE A1094 5.474 4.402 8.657 1.00 0.00 N ATOM 400 CA ILE A1094 4.087 4.590 8.277 1.00 0.00 C ATOM 401 C ILE A1094 3.825 3.983 6.898 1.00 0.00 C ATOM 402 O ILE A1094 4.614 4.164 5.968 1.00 0.00 O ATOM 403 CB ILE A1094 3.707 6.085 8.257 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.117 6.749 9.573 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.208 6.248 8.023 1.00 0.00 C ATOM 406 CD1 ILE A1094 3.921 8.247 9.589 1.00 0.00 C ATOM 0 H ILE A1094 6.146 4.902 8.075 1.00 0.00 H new ATOM 0 HA ILE A1094 3.472 4.085 9.022 1.00 0.00 H new ATOM 0 HB ILE A1094 4.239 6.572 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.541 6.308 10.386 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.166 6.527 9.769 1.00 0.00 H new ATOM 0 HG21 ILE A1094 1.955 7.308 8.011 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.938 5.800 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.659 5.752 8.824 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.234 8.645 10.554 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.519 8.701 8.799 1.00 0.00 H new ATOM 0 HD13 ILE A1094 2.868 8.478 9.425 1.00 0.00 H new ATOM 418 N ILE A1095 2.729 3.254 6.777 1.00 0.00 N ATOM 419 CA ILE A1095 2.328 2.673 5.505 1.00 0.00 C ATOM 420 C ILE A1095 1.340 3.604 4.802 1.00 0.00 C ATOM 421 O ILE A1095 0.196 3.752 5.238 1.00 0.00 O ATOM 422 CB ILE A1095 1.674 1.286 5.698 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.635 0.330 6.419 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.244 0.702 4.357 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.946 0.111 5.689 1.00 0.00 C ATOM 0 H ILE A1095 2.096 3.049 7.550 1.00 0.00 H new ATOM 0 HA ILE A1095 3.224 2.548 4.896 1.00 0.00 H new ATOM 0 HB ILE A1095 0.786 1.411 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.845 0.724 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.141 -0.632 6.555 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.786 -0.274 4.515 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.523 1.369 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A1095 2.115 0.594 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.570 -0.576 6.261 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.748 -0.313 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.463 1.064 5.576 1.00 0.00 H new ATOM 437 N VAL A1096 1.800 4.241 3.734 1.00 0.00 N ATOM 438 CA VAL A1096 0.991 5.187 2.970 1.00 0.00 C ATOM 439 C VAL A1096 -0.116 4.474 2.199 1.00 0.00 C ATOM 440 O VAL A1096 0.148 3.559 1.408 1.00 0.00 O ATOM 441 CB VAL A1096 1.864 5.988 1.978 1.00 0.00 C ATOM 442 CG1 VAL A1096 1.025 6.950 1.150 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.963 6.736 2.714 1.00 0.00 C ATOM 0 H VAL A1096 2.745 4.118 3.371 1.00 0.00 H new ATOM 0 HA VAL A1096 0.539 5.872 3.687 1.00 0.00 H new ATOM 0 HB VAL A1096 2.326 5.276 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.671 7.497 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.283 6.389 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.520 7.654 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.566 7.294 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.517 7.428 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.595 6.024 3.244 1.00 0.00 H new ATOM 453 N THR A1097 -1.346 4.905 2.432 1.00 0.00 N ATOM 454 CA THR A1097 -2.502 4.346 1.758 1.00 0.00 C ATOM 455 C THR A1097 -3.127 5.361 0.805 1.00 0.00 C ATOM 456 O THR A1097 -3.753 4.989 -0.187 1.00 0.00 O ATOM 457 CB THR A1097 -3.562 3.878 2.777 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.761 4.883 3.783 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.142 2.575 3.435 1.00 0.00 C ATOM 0 H THR A1097 -1.568 5.650 3.092 1.00 0.00 H new ATOM 0 HA THR A1097 -2.158 3.487 1.182 1.00 0.00 H new ATOM 0 HB THR A1097 -4.496 3.713 2.241 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.437 4.576 4.423 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.905 2.265 4.149 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.024 1.804 2.673 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.195 2.719 3.955 1.00 0.00 H new ATOM 467 N GLY A1098 -2.928 6.643 1.093 1.00 0.00 N ATOM 468 CA GLY A1098 -3.542 7.689 0.300 1.00 0.00 C ATOM 469 C GLY A1098 -2.691 8.939 0.231 1.00 0.00 C ATOM 470 O GLY A1098 -1.586 8.975 0.771 1.00 0.00 O ATOM 0 H GLY A1098 -2.350 6.976 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.720 7.318 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.515 7.938 0.724 1.00 0.00 H new ATOM 474 N GLU A1099 -3.217 9.973 -0.409 1.00 0.00 N ATOM 475 CA GLU A1099 -2.470 11.203 -0.629 1.00 0.00 C ATOM 476 C GLU A1099 -3.416 12.387 -0.776 1.00 0.00 C ATOM 477 O GLU A1099 -4.367 12.342 -1.557 1.00 0.00 O ATOM 478 CB GLU A1099 -1.594 11.058 -1.880 1.00 0.00 C ATOM 479 CG GLU A1099 -0.988 12.354 -2.386 1.00 0.00 C ATOM 480 CD GLU A1099 -0.423 12.204 -3.783 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.610 11.523 -3.943 1.00 0.00 O ATOM 482 OE2 GLU A1099 -1.026 12.753 -4.732 1.00 0.00 O ATOM 0 H GLU A1099 -4.164 9.984 -0.787 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.831 11.387 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.788 10.357 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.193 10.618 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -1.748 13.136 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.198 12.675 -1.707 1.00 0.00 H new ATOM 489 N GLU A1100 -3.146 13.438 -0.020 1.00 0.00 N ATOM 490 CA GLU A1100 -3.947 14.653 -0.070 1.00 0.00 C ATOM 491 C GLU A1100 -3.180 15.750 -0.785 1.00 0.00 C ATOM 492 O GLU A1100 -3.675 16.374 -1.721 1.00 0.00 O ATOM 493 CB GLU A1100 -4.296 15.124 1.344 1.00 0.00 C ATOM 494 CG GLU A1100 -5.296 14.240 2.060 1.00 0.00 C ATOM 495 CD GLU A1100 -6.661 14.268 1.409 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.434 15.206 1.689 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.969 13.357 0.619 1.00 0.00 O ATOM 0 H GLU A1100 -2.371 13.475 0.642 1.00 0.00 H new ATOM 0 HA GLU A1100 -4.867 14.435 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -3.382 15.173 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.695 16.137 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -4.925 13.215 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -5.385 14.563 3.097 1.00 0.00 H new ATOM 504 N ASP A1101 -1.955 15.955 -0.345 1.00 0.00 N ATOM 505 CA ASP A1101 -1.133 17.041 -0.839 1.00 0.00 C ATOM 506 C ASP A1101 0.261 16.525 -1.160 1.00 0.00 C ATOM 507 O ASP A1101 0.568 15.367 -0.883 1.00 0.00 O ATOM 508 CB ASP A1101 -1.067 18.154 0.217 1.00 0.00 C ATOM 509 CG ASP A1101 -0.352 19.403 -0.255 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.011 20.282 -0.835 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.869 19.518 -0.022 1.00 0.00 O ATOM 0 H ASP A1101 -1.503 15.376 0.362 1.00 0.00 H new ATOM 0 HA ASP A1101 -1.571 17.447 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.081 18.418 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.562 17.771 1.104 1.00 0.00 H new ATOM 516 N GLN A1102 1.091 17.374 -1.728 1.00 0.00 N ATOM 517 CA GLN A1102 2.460 17.019 -2.053 1.00 0.00 C ATOM 518 C GLN A1102 3.205 16.630 -0.784 1.00 0.00 C ATOM 519 O GLN A1102 4.003 15.689 -0.779 1.00 0.00 O ATOM 520 CB GLN A1102 3.156 18.204 -2.724 1.00 0.00 C ATOM 521 CG GLN A1102 4.503 17.864 -3.336 1.00 0.00 C ATOM 522 CD GLN A1102 4.372 17.076 -4.622 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.343 15.845 -4.616 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.282 17.782 -5.738 1.00 0.00 N ATOM 0 H GLN A1102 0.838 18.330 -1.978 1.00 0.00 H new ATOM 0 HA GLN A1102 2.459 16.172 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A1102 2.505 18.601 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN A1102 3.293 18.996 -1.988 1.00 0.00 H new ATOM 0 HG2 GLN A1102 5.052 18.785 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN A1102 5.090 17.289 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A1102 4.310 18.801 -5.701 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.185 17.307 -6.635 1.00 0.00 H new ATOM 533 N GLU A1103 2.928 17.351 0.294 1.00 0.00 N ATOM 534 CA GLU A1103 3.582 17.089 1.563 1.00 0.00 C ATOM 535 C GLU A1103 2.601 16.555 2.583 1.00 0.00 C ATOM 536 O GLU A1103 2.839 16.649 3.779 1.00 0.00 O ATOM 537 CB GLU A1103 4.228 18.354 2.115 1.00 0.00 C ATOM 538 CG GLU A1103 4.982 19.136 1.069 1.00 0.00 C ATOM 539 CD GLU A1103 5.947 20.130 1.670 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.932 19.695 2.309 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.726 21.347 1.508 1.00 0.00 O ATOM 0 H GLU A1103 2.257 18.119 0.313 1.00 0.00 H new ATOM 0 HA GLU A1103 4.352 16.340 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.456 18.989 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A1103 4.910 18.085 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A1103 5.530 18.445 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A1103 4.271 19.664 0.433 1.00 0.00 H new ATOM 548 N TRP A1104 1.493 16.009 2.120 1.00 0.00 N ATOM 549 CA TRP A1104 0.486 15.488 3.030 1.00 0.00 C ATOM 550 C TRP A1104 -0.134 14.217 2.497 1.00 0.00 C ATOM 551 O TRP A1104 -1.012 14.249 1.633 1.00 0.00 O ATOM 552 CB TRP A1104 -0.591 16.533 3.297 1.00 0.00 C ATOM 553 CG TRP A1104 -0.092 17.665 4.136 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.424 18.854 3.703 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.041 17.706 5.565 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.781 19.621 4.770 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.504 18.946 5.921 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.408 16.817 6.581 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.691 19.325 7.239 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.220 17.197 7.895 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.326 18.446 8.213 1.00 0.00 C ATOM 0 H TRP A1104 1.267 15.914 1.130 1.00 0.00 H new ATOM 0 HA TRP A1104 0.983 15.250 3.971 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -0.958 16.923 2.348 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.437 16.060 3.796 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.533 19.143 2.668 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.191 20.553 4.716 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.830 15.852 6.342 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.113 20.288 7.487 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.498 16.520 8.689 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.460 18.718 9.250 1.00 0.00 H new ATOM 572 N TRP A1105 0.323 13.099 3.018 1.00 0.00 N ATOM 573 CA TRP A1105 -0.164 11.808 2.588 1.00 0.00 C ATOM 574 C TRP A1105 -0.964 11.160 3.699 1.00 0.00 C ATOM 575 O TRP A1105 -0.886 11.570 4.858 1.00 0.00 O ATOM 576 CB TRP A1105 1.001 10.910 2.164 1.00 0.00 C ATOM 577 CG TRP A1105 1.708 11.403 0.937 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.431 12.542 0.243 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.802 10.781 0.261 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.275 12.670 -0.824 1.00 0.00 N ATOM 581 CE2 TRP A1105 3.135 11.600 -0.837 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.532 9.612 0.478 1.00 0.00 C ATOM 583 CZ2 TRP A1105 4.170 11.280 -1.714 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.556 9.297 -0.391 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.870 10.128 -1.475 1.00 0.00 C ATOM 0 H TRP A1105 1.037 13.059 3.746 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.816 11.947 1.725 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.715 10.840 2.984 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.627 9.903 1.981 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.653 13.246 0.500 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.267 13.434 -1.499 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.300 8.965 1.311 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.411 11.918 -2.552 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 5.126 8.393 -0.233 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.680 9.854 -2.135 1.00 0.00 H new ATOM 596 N ILE A1106 -1.729 10.153 3.342 1.00 0.00 N ATOM 597 CA ILE A1106 -2.588 9.477 4.292 1.00 0.00 C ATOM 598 C ILE A1106 -2.130 8.048 4.450 1.00 0.00 C ATOM 599 O ILE A1106 -1.779 7.392 3.472 1.00 0.00 O ATOM 600 CB ILE A1106 -4.053 9.467 3.822 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.518 10.881 3.495 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.950 8.844 4.884 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.862 10.916 2.820 1.00 0.00 C ATOM 0 H ILE A1106 -1.775 9.781 2.393 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.527 10.015 5.238 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.120 8.864 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.564 11.464 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.781 11.360 2.850 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.982 8.845 4.535 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.632 7.819 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.878 9.422 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.138 11.950 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.814 10.359 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.609 10.465 3.473 1.00 0.00 H new ATOM 615 N GLY A1107 -2.108 7.570 5.671 1.00 0.00 N ATOM 616 CA GLY A1107 -1.728 6.203 5.890 1.00 0.00 C ATOM 617 C GLY A1107 -1.862 5.795 7.327 1.00 0.00 C ATOM 618 O GLY A1107 -2.441 6.517 8.139 1.00 0.00 O ATOM 0 H GLY A1107 -2.344 8.098 6.511 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.347 5.553 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.696 6.060 5.569 1.00 0.00 H new ATOM 622 N HIS A1108 -1.310 4.642 7.637 1.00 0.00 N ATOM 623 CA HIS A1108 -1.376 4.094 8.977 1.00 0.00 C ATOM 624 C HIS A1108 -0.043 3.471 9.323 1.00 0.00 C ATOM 625 O HIS A1108 0.625 2.904 8.462 1.00 0.00 O ATOM 626 CB HIS A1108 -2.504 3.060 9.095 1.00 0.00 C ATOM 627 CG HIS A1108 -2.381 1.891 8.159 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.065 1.807 6.965 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.648 0.755 8.248 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.757 0.671 6.364 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.902 0.019 7.122 1.00 0.00 N ATOM 0 H HIS A1108 -0.804 4.059 6.971 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.595 4.898 9.680 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.532 2.687 10.119 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.456 3.558 8.911 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.987 0.481 9.057 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.142 0.335 5.412 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.493 -0.890 6.905 1.00 0.00 H new ATOM 640 N ILE A1109 0.343 3.584 10.571 1.00 0.00 N ATOM 641 CA ILE A1109 1.652 3.142 10.997 1.00 0.00 C ATOM 642 C ILE A1109 1.762 1.620 10.970 1.00 0.00 C ATOM 643 O ILE A1109 0.805 0.915 11.283 1.00 0.00 O ATOM 644 CB ILE A1109 1.979 3.726 12.383 1.00 0.00 C ATOM 645 CG1 ILE A1109 1.935 5.256 12.270 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.329 3.236 12.897 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.645 5.994 13.374 1.00 0.00 C ATOM 0 H ILE A1109 -0.233 3.980 11.314 1.00 0.00 H new ATOM 0 HA ILE A1109 2.395 3.516 10.293 1.00 0.00 H new ATOM 0 HB ILE A1109 1.243 3.387 13.112 1.00 0.00 H new ATOM 0 HG12 ILE A1109 2.375 5.548 11.316 1.00 0.00 H new ATOM 0 HG13 ILE A1109 0.893 5.575 12.252 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.524 3.670 13.878 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.315 2.149 12.977 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.114 3.538 12.204 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.559 7.068 13.208 1.00 0.00 H new ATOM 0 HD12 ILE A1109 2.193 5.738 14.332 1.00 0.00 H new ATOM 0 HD13 ILE A1109 3.698 5.711 13.382 1.00 0.00 H new ATOM 659 N GLU A1110 2.930 1.139 10.555 1.00 0.00 N ATOM 660 CA GLU A1110 3.152 -0.269 10.235 1.00 0.00 C ATOM 661 C GLU A1110 2.731 -1.207 11.367 1.00 0.00 C ATOM 662 O GLU A1110 1.829 -2.031 11.193 1.00 0.00 O ATOM 663 CB GLU A1110 4.628 -0.475 9.895 1.00 0.00 C ATOM 664 CG GLU A1110 4.955 -1.862 9.375 1.00 0.00 C ATOM 665 CD GLU A1110 6.416 -2.009 9.003 1.00 0.00 C ATOM 666 OE1 GLU A1110 7.226 -2.374 9.879 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.760 -1.773 7.829 1.00 0.00 O ATOM 0 H GLU A1110 3.758 1.721 10.430 1.00 0.00 H new ATOM 0 HA GLU A1110 2.526 -0.520 9.378 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.924 0.261 9.147 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.226 -0.282 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.700 -2.601 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.337 -2.075 8.502 1.00 0.00 H new ATOM 674 N GLY A1111 3.376 -1.075 12.521 1.00 0.00 N ATOM 675 CA GLY A1111 3.101 -1.967 13.632 1.00 0.00 C ATOM 676 C GLY A1111 1.836 -1.596 14.375 1.00 0.00 C ATOM 677 O GLY A1111 1.207 -2.445 15.010 1.00 0.00 O ATOM 0 H GLY A1111 4.085 -0.366 12.707 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.014 -2.988 13.261 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.943 -1.950 14.324 1.00 0.00 H new ATOM 681 N GLN A1112 1.465 -0.326 14.300 1.00 0.00 N ATOM 682 CA GLN A1112 0.242 0.156 14.927 1.00 0.00 C ATOM 683 C GLN A1112 -0.758 0.589 13.858 1.00 0.00 C ATOM 684 O GLN A1112 -0.872 1.775 13.550 1.00 0.00 O ATOM 685 CB GLN A1112 0.540 1.324 15.870 1.00 0.00 C ATOM 686 CG GLN A1112 1.508 0.980 16.993 1.00 0.00 C ATOM 687 CD GLN A1112 2.931 1.437 16.729 1.00 0.00 C ATOM 688 OE1 GLN A1112 3.082 2.562 16.047 1.00 0.00 O flip ATOM 689 NE2 GLN A1112 3.888 0.794 17.155 1.00 0.00 N flip ATOM 0 H GLN A1112 1.996 0.393 13.809 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.189 -0.657 15.511 1.00 0.00 H new ATOM 0 HB2 GLN A1112 0.951 2.150 15.290 1.00 0.00 H new ATOM 0 HB3 GLN A1112 -0.396 1.674 16.305 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.155 1.435 17.918 1.00 0.00 H new ATOM 0 HG3 GLN A1112 1.504 -0.099 17.147 1.00 0.00 H new ATOM 0 HE21 GLN A1112 3.731 -0.069 17.676 1.00 0.00 H new ATOM 0 HE22 GLN A1112 4.839 1.123 16.987 1.00 0.00 H new ATOM 698 N PRO A1113 -1.513 -0.374 13.297 1.00 0.00 N ATOM 699 CA PRO A1113 -2.350 -0.151 12.110 1.00 0.00 C ATOM 700 C PRO A1113 -3.525 0.796 12.347 1.00 0.00 C ATOM 701 O PRO A1113 -4.044 1.389 11.399 1.00 0.00 O ATOM 702 CB PRO A1113 -2.863 -1.550 11.765 1.00 0.00 C ATOM 703 CG PRO A1113 -2.805 -2.303 13.047 1.00 0.00 C ATOM 704 CD PRO A1113 -1.617 -1.761 13.785 1.00 0.00 C ATOM 0 HA PRO A1113 -1.775 0.329 11.318 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.880 -1.513 11.374 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -2.244 -2.021 11.001 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -3.720 -2.165 13.623 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -2.699 -3.373 12.868 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.764 -1.797 14.864 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.714 -2.332 13.567 1.00 0.00 H new ATOM 712 N GLU A1114 -3.953 0.939 13.595 1.00 0.00 N ATOM 713 CA GLU A1114 -5.097 1.789 13.894 1.00 0.00 C ATOM 714 C GLU A1114 -4.647 3.227 14.155 1.00 0.00 C ATOM 715 O GLU A1114 -5.464 4.141 14.263 1.00 0.00 O ATOM 716 CB GLU A1114 -5.899 1.224 15.071 1.00 0.00 C ATOM 717 CG GLU A1114 -7.208 1.954 15.318 1.00 0.00 C ATOM 718 CD GLU A1114 -8.264 1.061 15.923 1.00 0.00 C ATOM 719 OE1 GLU A1114 -8.169 0.749 17.128 1.00 0.00 O ATOM 720 OE2 GLU A1114 -9.195 0.662 15.192 1.00 0.00 O ATOM 0 H GLU A1114 -3.532 0.485 14.405 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.756 1.803 13.026 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -6.109 0.171 14.885 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -5.289 1.273 15.973 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -7.029 2.800 15.982 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -7.577 2.360 14.376 1.00 0.00 H new ATOM 727 N ARG A1115 -3.339 3.433 14.237 1.00 0.00 N ATOM 728 CA ARG A1115 -2.804 4.781 14.306 1.00 0.00 C ATOM 729 C ARG A1115 -2.624 5.298 12.890 1.00 0.00 C ATOM 730 O ARG A1115 -1.578 5.111 12.261 1.00 0.00 O ATOM 731 CB ARG A1115 -1.486 4.818 15.083 1.00 0.00 C ATOM 732 CG ARG A1115 -1.604 4.233 16.480 1.00 0.00 C ATOM 733 CD ARG A1115 -0.341 4.440 17.295 1.00 0.00 C ATOM 734 NE ARG A1115 -0.279 3.517 18.427 1.00 0.00 N ATOM 735 CZ ARG A1115 0.615 3.589 19.409 1.00 0.00 C ATOM 736 NH1 ARG A1115 1.427 4.634 19.506 1.00 0.00 N ATOM 737 NH2 ARG A1115 0.663 2.628 20.321 1.00 0.00 N ATOM 0 H ARG A1115 -2.638 2.692 14.257 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.501 5.423 14.845 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.727 4.267 14.527 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -1.142 5.850 15.155 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.447 4.694 16.995 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.818 3.167 16.409 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.532 4.297 16.658 1.00 0.00 H new ATOM 0 HD3 ARG A1115 -0.305 5.467 17.659 1.00 0.00 H new ATOM 0 HE ARG A1115 -0.969 2.766 18.466 1.00 0.00 H new ATOM 0 HH11 ARG A1115 1.368 5.390 18.824 1.00 0.00 H new ATOM 0 HH12 ARG A1115 2.110 4.681 20.262 1.00 0.00 H new ATOM 0 HH21 ARG A1115 0.017 1.840 20.266 1.00 0.00 H new ATOM 0 HH22 ARG A1115 1.346 2.676 21.077 1.00 0.00 H new ATOM 751 N LYS A1116 -3.674 5.922 12.390 1.00 0.00 N ATOM 752 CA LYS A1116 -3.724 6.376 11.015 1.00 0.00 C ATOM 753 C LYS A1116 -4.163 7.832 10.969 1.00 0.00 C ATOM 754 O LYS A1116 -4.773 8.334 11.914 1.00 0.00 O ATOM 755 CB LYS A1116 -4.687 5.494 10.216 1.00 0.00 C ATOM 756 CG LYS A1116 -6.122 5.560 10.704 1.00 0.00 C ATOM 757 CD LYS A1116 -6.930 4.368 10.222 1.00 0.00 C ATOM 758 CE LYS A1116 -8.397 4.505 10.591 1.00 0.00 C ATOM 759 NZ LYS A1116 -9.117 5.427 9.672 1.00 0.00 N ATOM 0 H LYS A1116 -4.516 6.128 12.927 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.732 6.300 10.569 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.655 5.793 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.344 4.461 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.136 5.593 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.585 6.481 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.833 4.275 9.140 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -6.528 3.454 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -8.871 3.524 10.565 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.481 4.873 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -10.115 5.493 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.681 6.370 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -9.059 5.063 8.699 1.00 0.00 H new ATOM 773 N GLY A1117 -3.844 8.499 9.880 1.00 0.00 N ATOM 774 CA GLY A1117 -4.166 9.902 9.745 1.00 0.00 C ATOM 775 C GLY A1117 -3.464 10.508 8.559 1.00 0.00 C ATOM 776 O GLY A1117 -2.984 9.779 7.679 1.00 0.00 O ATOM 0 H GLY A1117 -3.363 8.093 9.078 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.244 10.022 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.878 10.433 10.652 1.00 0.00 H new ATOM 780 N VAL A1118 -3.395 11.830 8.520 1.00 0.00 N ATOM 781 CA VAL A1118 -2.683 12.504 7.455 1.00 0.00 C ATOM 782 C VAL A1118 -1.378 13.077 7.985 1.00 0.00 C ATOM 783 O VAL A1118 -1.372 13.934 8.871 1.00 0.00 O ATOM 784 CB VAL A1118 -3.520 13.623 6.809 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.846 14.122 5.540 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.931 13.135 6.513 1.00 0.00 C ATOM 0 H VAL A1118 -3.821 12.450 9.209 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.477 11.763 6.683 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.589 14.453 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.449 14.913 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.858 14.512 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.747 13.299 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.506 13.941 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.887 12.288 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.412 12.827 7.441 1.00 0.00 H new ATOM 796 N PHE A1119 -0.280 12.573 7.456 1.00 0.00 N ATOM 797 CA PHE A1119 1.052 12.959 7.907 1.00 0.00 C ATOM 798 C PHE A1119 1.777 13.808 6.865 1.00 0.00 C ATOM 799 O PHE A1119 1.638 13.586 5.660 1.00 0.00 O ATOM 800 CB PHE A1119 1.882 11.713 8.234 1.00 0.00 C ATOM 801 CG PHE A1119 1.830 10.640 7.180 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.790 9.725 7.165 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.820 10.537 6.216 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.736 8.733 6.211 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.769 9.543 5.256 1.00 0.00 C ATOM 806 CZ PHE A1119 1.722 8.640 5.256 1.00 0.00 C ATOM 0 H PHE A1119 -0.281 11.885 6.703 1.00 0.00 H new ATOM 0 HA PHE A1119 0.933 13.562 8.807 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.920 12.011 8.382 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.533 11.296 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.012 9.790 7.911 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.640 11.240 6.214 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.081 8.027 6.213 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.545 9.472 4.508 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.678 7.863 4.507 1.00 0.00 H new ATOM 816 N PRO A1120 2.549 14.805 7.324 1.00 0.00 N ATOM 817 CA PRO A1120 3.345 15.649 6.443 1.00 0.00 C ATOM 818 C PRO A1120 4.605 14.948 5.948 1.00 0.00 C ATOM 819 O PRO A1120 5.433 14.476 6.733 1.00 0.00 O ATOM 820 CB PRO A1120 3.710 16.843 7.318 1.00 0.00 C ATOM 821 CG PRO A1120 3.710 16.308 8.705 1.00 0.00 C ATOM 822 CD PRO A1120 2.684 15.203 8.736 1.00 0.00 C ATOM 0 HA PRO A1120 2.796 15.919 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.686 17.247 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A1120 2.988 17.652 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.696 15.930 8.975 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.461 17.090 9.423 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.013 14.369 9.356 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.735 15.550 9.146 1.00 0.00 H new ATOM 830 N VAL A1121 4.742 14.914 4.634 1.00 0.00 N ATOM 831 CA VAL A1121 5.883 14.308 3.968 1.00 0.00 C ATOM 832 C VAL A1121 7.177 15.040 4.335 1.00 0.00 C ATOM 833 O VAL A1121 8.272 14.498 4.210 1.00 0.00 O ATOM 834 CB VAL A1121 5.669 14.331 2.440 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.853 13.747 1.693 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.391 13.591 2.073 1.00 0.00 C ATOM 0 H VAL A1121 4.056 15.311 3.992 1.00 0.00 H new ATOM 0 HA VAL A1121 5.972 13.274 4.300 1.00 0.00 H new ATOM 0 HB VAL A1121 5.576 15.374 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.660 13.783 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.748 14.326 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.003 12.712 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.254 13.616 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.462 12.556 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.541 14.071 2.558 1.00 0.00 H new ATOM 846 N SER A1122 7.034 16.264 4.821 1.00 0.00 N ATOM 847 CA SER A1122 8.172 17.089 5.198 1.00 0.00 C ATOM 848 C SER A1122 9.002 16.444 6.319 1.00 0.00 C ATOM 849 O SER A1122 10.221 16.607 6.370 1.00 0.00 O ATOM 850 CB SER A1122 7.667 18.465 5.632 1.00 0.00 C ATOM 851 OG SER A1122 6.554 18.859 4.842 1.00 0.00 O ATOM 0 H SER A1122 6.129 16.712 4.965 1.00 0.00 H new ATOM 0 HA SER A1122 8.828 17.188 4.333 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.383 18.439 6.684 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.467 19.199 5.536 1.00 0.00 H new ATOM 0 HG SER A1122 6.862 19.119 3.949 1.00 0.00 H new ATOM 857 N PHE A1123 8.344 15.689 7.191 1.00 0.00 N ATOM 858 CA PHE A1123 8.997 15.127 8.371 1.00 0.00 C ATOM 859 C PHE A1123 9.208 13.622 8.198 1.00 0.00 C ATOM 860 O PHE A1123 9.684 12.937 9.106 1.00 0.00 O ATOM 861 CB PHE A1123 8.150 15.368 9.633 1.00 0.00 C ATOM 862 CG PHE A1123 7.815 16.812 9.947 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.451 17.702 8.951 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.841 17.265 11.257 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.124 19.004 9.243 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.517 18.574 11.562 1.00 0.00 C ATOM 867 CZ PHE A1123 7.157 19.447 10.549 1.00 0.00 C ATOM 0 H PHE A1123 7.356 15.450 7.104 1.00 0.00 H new ATOM 0 HA PHE A1123 9.961 15.623 8.484 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.217 14.814 9.530 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.679 14.945 10.487 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.424 17.366 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.118 16.586 12.050 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.841 19.681 8.450 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.545 18.914 12.587 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.903 20.471 10.781 1.00 0.00 H new ATOM 877 N VAL A1124 8.838 13.103 7.036 1.00 0.00 N ATOM 878 CA VAL A1124 9.003 11.679 6.753 1.00 0.00 C ATOM 879 C VAL A1124 9.795 11.482 5.469 1.00 0.00 C ATOM 880 O VAL A1124 9.870 12.383 4.637 1.00 0.00 O ATOM 881 CB VAL A1124 7.646 10.939 6.645 1.00 0.00 C ATOM 882 CG1 VAL A1124 6.968 10.848 8.001 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.720 11.619 5.653 1.00 0.00 C ATOM 0 H VAL A1124 8.423 13.641 6.275 1.00 0.00 H new ATOM 0 HA VAL A1124 9.549 11.250 7.593 1.00 0.00 H new ATOM 0 HB VAL A1124 7.856 9.932 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.018 10.324 7.898 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.610 10.303 8.693 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.789 11.852 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.778 11.074 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.530 12.643 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.187 11.630 4.668 1.00 0.00 H new ATOM 893 N HIS A1125 10.399 10.316 5.306 1.00 0.00 N ATOM 894 CA HIS A1125 11.175 10.044 4.109 1.00 0.00 C ATOM 895 C HIS A1125 10.602 8.841 3.389 1.00 0.00 C ATOM 896 O HIS A1125 10.340 7.805 4.002 1.00 0.00 O ATOM 897 CB HIS A1125 12.645 9.811 4.458 1.00 0.00 C ATOM 898 CG HIS A1125 13.539 9.643 3.266 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.886 10.676 2.427 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.157 8.545 2.778 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.677 10.219 1.475 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.857 8.927 1.664 1.00 0.00 N ATOM 0 H HIS A1125 10.368 9.551 5.980 1.00 0.00 H new ATOM 0 HA HIS A1125 11.119 10.911 3.450 1.00 0.00 H new ATOM 0 HB2 HIS A1125 13.004 10.652 5.052 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.722 8.922 5.084 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.108 7.548 3.191 1.00 0.00 H new ATOM 0 HE1 HIS A1125 15.105 10.805 0.675 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.423 8.313 1.078 1.00 0.00 H new ATOM 911 N ILE A1126 10.415 8.992 2.092 1.00 0.00 N ATOM 912 CA ILE A1126 9.823 7.946 1.277 1.00 0.00 C ATOM 913 C ILE A1126 10.842 6.850 1.007 1.00 0.00 C ATOM 914 O ILE A1126 11.985 7.124 0.633 1.00 0.00 O ATOM 915 CB ILE A1126 9.265 8.495 -0.066 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.925 9.209 0.139 1.00 0.00 C ATOM 917 CG2 ILE A1126 9.098 7.380 -1.087 1.00 0.00 C ATOM 918 CD1 ILE A1126 8.020 10.558 0.814 1.00 0.00 C ATOM 0 H ILE A1126 10.666 9.835 1.576 1.00 0.00 H new ATOM 0 HA ILE A1126 8.984 7.534 1.838 1.00 0.00 H new ATOM 0 HB ILE A1126 9.991 9.215 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.446 9.338 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.275 8.567 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.706 7.793 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A1126 10.064 6.913 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.404 6.634 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A1126 7.022 10.985 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.466 10.440 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.640 11.223 0.213 1.00 0.00 H new ATOM 930 N LEU A1127 10.431 5.613 1.224 1.00 0.00 N ATOM 931 CA LEU A1127 11.301 4.472 1.019 1.00 0.00 C ATOM 932 C LEU A1127 10.766 3.606 -0.107 1.00 0.00 C ATOM 933 O LEU A1127 10.107 2.593 0.125 1.00 0.00 O ATOM 934 CB LEU A1127 11.412 3.675 2.314 1.00 0.00 C ATOM 935 CG LEU A1127 11.808 4.515 3.521 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.732 3.701 4.796 1.00 0.00 C ATOM 937 CD2 LEU A1127 13.201 5.090 3.339 1.00 0.00 C ATOM 0 H LEU A1127 9.493 5.374 1.545 1.00 0.00 H new ATOM 0 HA LEU A1127 12.296 4.818 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.455 3.193 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A1127 12.146 2.881 2.179 1.00 0.00 H new ATOM 0 HG LEU A1127 11.102 5.341 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.020 4.324 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A1127 10.713 3.343 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A1127 12.409 2.850 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.465 5.687 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.918 4.277 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A1127 13.221 5.720 2.449 1.00 0.00 H new ATOM 949 N SER A1128 11.050 4.020 -1.329 1.00 0.00 N ATOM 950 CA SER A1128 10.588 3.302 -2.511 1.00 0.00 C ATOM 951 C SER A1128 11.605 2.244 -2.926 1.00 0.00 C ATOM 952 O SER A1128 11.625 1.791 -4.070 1.00 0.00 O ATOM 953 CB SER A1128 10.331 4.280 -3.660 1.00 0.00 C ATOM 954 OG SER A1128 9.410 5.283 -3.273 1.00 0.00 O ATOM 0 H SER A1128 11.601 4.854 -1.533 1.00 0.00 H new ATOM 0 HA SER A1128 9.652 2.800 -2.268 1.00 0.00 H new ATOM 0 HB2 SER A1128 11.270 4.741 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A1128 9.944 3.739 -4.524 1.00 0.00 H new ATOM 0 HG SER A1128 9.262 5.898 -4.022 1.00 0.00 H new ATOM 960 N ASP A1129 12.454 1.866 -1.984 1.00 0.00 N ATOM 961 CA ASP A1129 13.416 0.799 -2.200 1.00 0.00 C ATOM 962 C ASP A1129 12.770 -0.534 -1.851 1.00 0.00 C ATOM 963 O ASP A1129 12.881 -0.968 -0.686 1.00 0.00 O ATOM 964 CB ASP A1129 14.679 1.012 -1.351 1.00 0.00 C ATOM 965 CG ASP A1129 15.481 2.232 -1.766 1.00 0.00 C ATOM 966 OD1 ASP A1129 16.362 2.103 -2.646 1.00 0.00 O ATOM 967 OD2 ASP A1129 15.244 3.326 -1.211 1.00 0.00 O ATOM 968 OXT ASP A1129 12.110 -1.122 -2.733 1.00 0.00 O ATOM 0 H ASP A1129 12.496 2.287 -1.056 1.00 0.00 H new ATOM 0 HA ASP A1129 13.714 0.802 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A1129 14.392 1.113 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A1129 15.312 0.127 -1.424 1.00 0.00 H new ATOM 974 N CYS B1578 17.016 8.502 13.511 1.00 0.00 N ATOM 975 CA CYS B1578 17.944 9.266 12.653 1.00 0.00 C ATOM 976 C CYS B1578 17.233 10.472 12.041 1.00 0.00 C ATOM 977 O CYS B1578 16.246 10.317 11.319 1.00 0.00 O ATOM 978 CB CYS B1578 18.481 8.351 11.553 1.00 0.00 C ATOM 979 SG CYS B1578 19.076 6.756 12.167 1.00 0.00 S ATOM 0 HA CYS B1578 18.775 9.632 13.257 1.00 0.00 H new ATOM 0 HB2 CYS B1578 17.694 8.178 10.819 1.00 0.00 H new ATOM 0 HB3 CYS B1578 19.295 8.858 11.035 1.00 0.00 H new ATOM 0 HG CYS B1578 19.511 6.042 11.171 1.00 0.00 H new ATOM 987 N ILE B1579 17.736 11.665 12.336 1.00 0.00 N ATOM 988 CA ILE B1579 17.125 12.902 11.861 1.00 0.00 C ATOM 989 C ILE B1579 17.775 13.371 10.562 1.00 0.00 C ATOM 990 O ILE B1579 19.003 13.389 10.436 1.00 0.00 O ATOM 991 CB ILE B1579 17.225 14.023 12.922 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.356 13.686 14.138 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.822 15.369 12.336 1.00 0.00 C ATOM 994 CD1 ILE B1579 16.304 14.794 15.168 1.00 0.00 C ATOM 0 H ILE B1579 18.571 11.803 12.906 1.00 0.00 H new ATOM 0 HA ILE B1579 16.072 12.689 11.675 1.00 0.00 H new ATOM 0 HB ILE B1579 18.264 14.093 13.243 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.343 13.466 13.801 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.739 12.781 14.609 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.902 16.139 13.104 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.482 15.616 11.505 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.793 15.317 11.980 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.671 14.487 16.001 1.00 0.00 H new ATOM 0 HD12 ILE B1579 17.310 14.999 15.533 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.893 15.695 14.713 1.00 0.00 H new ATOM 1006 N ILE B1580 16.945 13.747 9.602 1.00 0.00 N ATOM 1007 CA ILE B1580 17.424 14.211 8.309 1.00 0.00 C ATOM 1008 C ILE B1580 17.421 15.740 8.259 1.00 0.00 C ATOM 1009 O ILE B1580 16.384 16.363 8.062 1.00 0.00 O ATOM 1010 CB ILE B1580 16.565 13.592 7.166 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.170 12.263 6.705 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.377 14.536 5.984 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.247 11.225 7.799 1.00 0.00 C ATOM 0 H ILE B1580 15.929 13.740 9.695 1.00 0.00 H new ATOM 0 HA ILE B1580 18.453 13.881 8.166 1.00 0.00 H new ATOM 0 HB ILE B1580 15.573 13.413 7.579 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.575 11.868 5.882 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.172 12.444 6.316 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.771 14.048 5.221 1.00 0.00 H new ATOM 0 HG22 ILE B1580 15.876 15.444 6.320 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.350 14.792 5.565 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.685 10.310 7.402 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.866 11.600 8.614 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.245 11.015 8.172 1.00 0.00 H new ATOM 1025 N SER B1581 18.608 16.322 8.433 1.00 0.00 N ATOM 1026 CA SER B1581 18.791 17.774 8.474 1.00 0.00 C ATOM 1027 C SER B1581 18.293 18.359 9.804 1.00 0.00 C ATOM 1028 O SER B1581 18.523 17.776 10.864 1.00 0.00 O ATOM 1029 CB SER B1581 18.104 18.439 7.277 1.00 0.00 C ATOM 1030 OG SER B1581 18.610 17.923 6.057 1.00 0.00 O ATOM 0 H SER B1581 19.475 15.797 8.550 1.00 0.00 H new ATOM 0 HA SER B1581 19.858 17.984 8.407 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.028 18.271 7.330 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.261 19.517 7.314 1.00 0.00 H new ATOM 0 HG SER B1581 18.158 18.359 5.305 1.00 0.00 H new ATOM 1036 N ALA B1582 17.654 19.528 9.755 1.00 0.00 N ATOM 1037 CA ALA B1582 17.017 20.107 10.937 1.00 0.00 C ATOM 1038 C ALA B1582 15.527 20.267 10.696 1.00 0.00 C ATOM 1039 O ALA B1582 15.096 20.328 9.539 1.00 0.00 O ATOM 1040 CB ALA B1582 17.640 21.444 11.297 1.00 0.00 C ATOM 0 H ALA B1582 17.564 20.092 8.910 1.00 0.00 H new ATOM 0 HA ALA B1582 17.173 19.429 11.776 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.146 21.850 12.180 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.701 21.307 11.506 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.521 22.137 10.464 1.00 0.00 H new ATOM 1046 N MET B1583 14.754 20.330 11.784 1.00 0.00 N ATOM 1047 CA MET B1583 13.292 20.286 11.718 1.00 0.00 C ATOM 1048 C MET B1583 12.732 21.126 10.581 1.00 0.00 C ATOM 1049 O MET B1583 12.941 22.343 10.518 1.00 0.00 O ATOM 1050 CB MET B1583 12.662 20.715 13.047 1.00 0.00 C ATOM 1051 CG MET B1583 11.169 20.997 12.944 1.00 0.00 C ATOM 1052 SD MET B1583 10.354 21.080 14.546 1.00 0.00 S ATOM 1053 CE MET B1583 10.378 19.348 14.996 1.00 0.00 C ATOM 0 H MET B1583 15.123 20.413 12.731 1.00 0.00 H new ATOM 0 HA MET B1583 13.028 19.247 11.520 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.826 19.933 13.788 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.169 21.609 13.409 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.019 21.939 12.417 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.699 20.218 12.344 1.00 0.00 H new ATOM 0 HE1 MET B1583 9.625 19.160 15.761 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.161 18.741 14.117 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.362 19.086 15.384 1.00 0.00 H new ATOM 1063 N PRO B1584 12.019 20.461 9.661 1.00 0.00 N ATOM 1064 CA PRO B1584 11.351 21.117 8.549 1.00 0.00 C ATOM 1065 C PRO B1584 10.145 21.898 9.046 1.00 0.00 C ATOM 1066 O PRO B1584 9.885 21.948 10.250 1.00 0.00 O ATOM 1067 CB PRO B1584 10.912 19.954 7.658 1.00 0.00 C ATOM 1068 CG PRO B1584 10.754 18.811 8.589 1.00 0.00 C ATOM 1069 CD PRO B1584 11.798 19.006 9.650 1.00 0.00 C ATOM 0 HA PRO B1584 11.987 21.832 8.027 1.00 0.00 H new ATOM 0 HB2 PRO B1584 9.978 20.179 7.144 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.655 19.740 6.890 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.754 18.794 9.022 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.894 17.862 8.071 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.455 18.646 10.620 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.714 18.464 9.415 1.00 0.00 H new ATOM 1077 N THR B1585 9.402 22.488 8.142 1.00 0.00 N ATOM 1078 CA THR B1585 8.251 23.253 8.526 1.00 0.00 C ATOM 1079 C THR B1585 7.020 22.490 8.108 1.00 0.00 C ATOM 1080 O THR B1585 6.941 22.022 6.974 1.00 0.00 O ATOM 1081 CB THR B1585 8.238 24.638 7.855 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.544 25.233 7.910 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.232 25.560 8.530 1.00 0.00 C ATOM 0 H THR B1585 9.577 22.451 7.138 1.00 0.00 H new ATOM 0 HA THR B1585 8.276 23.407 9.605 1.00 0.00 H new ATOM 0 HB THR B1585 7.946 24.502 6.814 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.521 26.112 7.478 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.242 26.532 8.037 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.235 25.126 8.457 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.498 25.682 9.580 1.00 0.00 H new ATOM 1091 N LYS B1586 6.087 22.318 9.024 1.00 0.00 N ATOM 1092 CA LYS B1586 4.829 21.707 8.675 1.00 0.00 C ATOM 1093 C LYS B1586 4.119 22.595 7.680 1.00 0.00 C ATOM 1094 O LYS B1586 3.510 23.601 8.046 1.00 0.00 O ATOM 1095 CB LYS B1586 3.964 21.468 9.902 1.00 0.00 C ATOM 1096 CG LYS B1586 2.575 20.983 9.543 1.00 0.00 C ATOM 1097 CD LYS B1586 1.886 20.321 10.716 1.00 0.00 C ATOM 1098 CE LYS B1586 2.067 21.120 11.992 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.265 20.576 13.112 1.00 0.00 N ATOM 0 H LYS B1586 6.178 22.590 10.003 1.00 0.00 H new ATOM 0 HA LYS B1586 5.019 20.731 8.229 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.447 20.734 10.546 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.887 22.392 10.474 1.00 0.00 H new ATOM 0 HG2 LYS B1586 1.975 21.825 9.198 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.640 20.277 8.715 1.00 0.00 H new ATOM 0 HD2 LYS B1586 0.823 20.213 10.501 1.00 0.00 H new ATOM 0 HD3 LYS B1586 2.286 19.317 10.855 1.00 0.00 H new ATOM 0 HE2 LYS B1586 3.121 21.123 12.270 1.00 0.00 H new ATOM 0 HE3 LYS B1586 1.782 22.157 11.813 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.243 21.266 13.890 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.295 20.390 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 1.693 19.690 13.447 1.00 0.00 H new ATOM 1113 N SER B1587 4.255 22.237 6.420 1.00 0.00 N ATOM 1114 CA SER B1587 3.667 22.996 5.336 1.00 0.00 C ATOM 1115 C SER B1587 2.158 22.802 5.350 1.00 0.00 C ATOM 1116 O SER B1587 1.637 22.039 4.544 1.00 0.00 O ATOM 1117 CB SER B1587 4.240 22.540 3.992 1.00 0.00 C ATOM 1118 OG SER B1587 5.657 22.592 3.987 1.00 0.00 O ATOM 0 H SER B1587 4.775 21.413 6.119 1.00 0.00 H new ATOM 0 HA SER B1587 3.902 24.052 5.470 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.911 21.522 3.782 1.00 0.00 H new ATOM 0 HB3 SER B1587 3.849 23.172 3.195 1.00 0.00 H new ATOM 0 HG SER B1587 5.993 22.261 3.128 1.00 0.00 H new ATOM 1124 N SER B1588 1.489 23.507 6.270 1.00 0.00 N ATOM 1125 CA SER B1588 0.078 23.293 6.614 1.00 0.00 C ATOM 1126 C SER B1588 -0.751 22.761 5.457 1.00 0.00 C ATOM 1127 O SER B1588 -0.756 23.330 4.372 1.00 0.00 O ATOM 1128 CB SER B1588 -0.524 24.596 7.094 1.00 0.00 C ATOM 1129 OG SER B1588 0.353 25.253 7.998 1.00 0.00 O ATOM 0 H SER B1588 1.922 24.258 6.807 1.00 0.00 H new ATOM 0 HA SER B1588 0.057 22.535 7.397 1.00 0.00 H new ATOM 0 HB2 SER B1588 -0.727 25.244 6.241 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.479 24.403 7.582 1.00 0.00 H new ATOM 0 HG SER B1588 -0.053 26.094 8.295 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.461 21.672 5.722 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.176 20.929 4.698 1.00 0.00 C ATOM 1137 C ARG B1589 -3.101 21.824 3.880 1.00 0.00 C ATOM 1138 O ARG B1589 -4.164 22.232 4.337 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.944 19.783 5.349 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.650 18.874 4.365 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.592 17.430 4.833 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.407 17.179 6.023 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.591 16.562 6.001 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.163 16.240 4.845 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.200 16.272 7.139 1.00 0.00 N ATOM 0 H ARG B1589 -1.556 21.279 6.658 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.448 20.520 3.997 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.252 19.188 5.945 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.681 20.198 6.037 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.689 19.185 4.256 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.186 18.962 3.383 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.928 16.779 4.026 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.557 17.165 5.046 1.00 0.00 H new ATOM 0 HE ARG B1589 -4.048 17.495 6.924 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.697 16.464 3.966 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -7.068 15.769 4.837 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -5.765 16.520 8.028 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.105 15.801 7.128 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.674 22.092 2.649 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.391 22.972 1.726 1.00 0.00 C ATOM 1161 C LYS B1590 -4.768 22.406 1.372 1.00 0.00 C ATOM 1162 O LYS B1590 -5.626 23.117 0.852 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.575 23.166 0.435 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.430 24.184 0.522 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.342 23.786 1.514 1.00 0.00 C ATOM 1166 CE LYS B1590 0.212 22.388 1.261 1.00 0.00 C ATOM 1167 NZ LYS B1590 0.974 22.282 -0.011 1.00 0.00 N ATOM 0 H LYS B1590 -1.815 21.703 2.260 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.528 23.932 2.224 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.159 22.202 0.141 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.254 23.476 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.985 24.305 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.836 25.154 0.809 1.00 0.00 H new ATOM 0 HD2 LYS B1590 0.472 24.509 1.461 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.745 23.834 2.526 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.861 22.106 2.090 1.00 0.00 H new ATOM 0 HE3 LYS B1590 -0.612 21.675 1.244 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 1.310 21.305 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 0.357 22.539 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.789 22.927 0.018 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.970 21.126 1.658 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.216 20.448 1.318 1.00 0.00 C ATOM 1183 C ALA B1591 -7.258 20.591 2.428 1.00 0.00 C ATOM 1184 O ALA B1591 -8.360 20.050 2.330 1.00 0.00 O ATOM 1185 CB ALA B1591 -5.950 18.978 1.029 1.00 0.00 C ATOM 0 H ALA B1591 -4.284 20.534 2.127 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.620 20.922 0.424 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -6.887 18.482 0.776 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.256 18.891 0.193 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.516 18.507 1.911 1.00 0.00 H new