USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B1588 SER OG : rot 180:sc= -0.133 USER MOD Set 1.2: B1592 LYS NZ :NH3+ 135:sc= 0.186 (180deg=0) USER MOD Single : A1073 LYS NZ :NH3+ -165:sc= 0.801 (180deg=0.65) USER MOD Single : A1074 THR OG1 : rot 141:sc= 1.52 USER MOD Single : A1076 TYR OH : rot -168:sc= -0.69 USER MOD Single : A1078 CYS SG : rot 120:sc= -2.87! USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A1082 ASN : amide:sc= 0.0732! C(o=0.073!,f=-3.7!) USER MOD Single : A1087 THR OG1 : rot 63:sc= 1.74 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.777 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1112 GLN : amide:sc= -0.328 K(o=-0.33,f=-13!) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -96:sc= 0.932 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1128 SER OG : rot 180:sc= 0.007 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 -155:sc= -0.136 (180deg=-0.777) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : B1587 SER OG : rot 175:sc= 1.09 USER MOD Single : B1590 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.714) USER MOD Single : B1593 LYS NZ :NH3+ 179:sc= 1.39 (180deg=1.38) USER MOD Single : B1596 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 0.079 1.665 -0.711 1.00 0.00 N ATOM 2 CA VAL A1069 1.050 0.611 -1.097 1.00 0.00 C ATOM 3 C VAL A1069 2.489 1.100 -0.947 1.00 0.00 C ATOM 4 O VAL A1069 3.434 0.381 -1.272 1.00 0.00 O ATOM 5 CB VAL A1069 0.835 0.135 -2.551 1.00 0.00 C ATOM 6 CG1 VAL A1069 -0.521 -0.531 -2.707 1.00 0.00 C ATOM 7 CG2 VAL A1069 0.979 1.294 -3.526 1.00 0.00 C ATOM 0 HA VAL A1069 0.877 -0.227 -0.421 1.00 0.00 H new ATOM 0 HB VAL A1069 1.604 -0.602 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -0.649 -0.858 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.581 -1.393 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -1.307 0.180 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A1069 0.824 0.935 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A1069 0.238 2.059 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A1069 1.979 1.720 -3.440 1.00 0.00 H new ATOM 19 N ARG A1070 2.655 2.323 -0.465 1.00 0.00 N ATOM 20 CA ARG A1070 3.982 2.891 -0.278 1.00 0.00 C ATOM 21 C ARG A1070 4.367 2.836 1.195 1.00 0.00 C ATOM 22 O ARG A1070 3.512 2.919 2.064 1.00 0.00 O ATOM 23 CB ARG A1070 4.013 4.337 -0.781 1.00 0.00 C ATOM 24 CG ARG A1070 5.396 4.961 -0.758 1.00 0.00 C ATOM 25 CD ARG A1070 5.369 6.411 -1.207 1.00 0.00 C ATOM 26 NE ARG A1070 4.824 6.573 -2.555 1.00 0.00 N ATOM 27 CZ ARG A1070 5.395 7.317 -3.504 1.00 0.00 C ATOM 28 NH1 ARG A1070 6.569 7.894 -3.282 1.00 0.00 N ATOM 29 NH2 ARG A1070 4.798 7.476 -4.678 1.00 0.00 N ATOM 0 H ARG A1070 1.889 2.940 -0.197 1.00 0.00 H new ATOM 0 HA ARG A1070 4.702 2.308 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.628 4.366 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A1070 3.342 4.940 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A1070 5.805 4.901 0.251 1.00 0.00 H new ATOM 0 HG3 ARG A1070 6.062 4.392 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.772 6.994 -0.505 1.00 0.00 H new ATOM 0 HD3 ARG A1070 6.381 6.816 -1.177 1.00 0.00 H new ATOM 0 HE ARG A1070 3.956 6.088 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG A1070 7.037 7.769 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A1070 7.004 8.462 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG A1070 3.899 7.029 -4.858 1.00 0.00 H new ATOM 0 HH22 ARG A1070 5.238 8.046 -5.401 1.00 0.00 H new ATOM 43 N ARG A1071 5.648 2.683 1.474 1.00 0.00 N ATOM 44 CA ARG A1071 6.122 2.646 2.849 1.00 0.00 C ATOM 45 C ARG A1071 7.058 3.818 3.108 1.00 0.00 C ATOM 46 O ARG A1071 7.899 4.143 2.270 1.00 0.00 O ATOM 47 CB ARG A1071 6.826 1.314 3.116 1.00 0.00 C ATOM 48 CG ARG A1071 7.307 1.112 4.541 1.00 0.00 C ATOM 49 CD ARG A1071 7.859 -0.293 4.710 1.00 0.00 C ATOM 50 NE ARG A1071 8.394 -0.534 6.045 1.00 0.00 N ATOM 51 CZ ARG A1071 9.086 -1.623 6.379 1.00 0.00 C ATOM 52 NH1 ARG A1071 9.287 -2.588 5.490 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.568 -1.758 7.608 1.00 0.00 N ATOM 0 H ARG A1071 6.379 2.582 0.770 1.00 0.00 H new ATOM 0 HA ARG A1071 5.274 2.731 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.143 0.503 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.682 1.233 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A1071 8.077 1.845 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.484 1.274 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.069 -1.016 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.645 -0.461 3.973 1.00 0.00 H new ATOM 0 HE ARG A1071 8.229 0.171 6.764 1.00 0.00 H new ATOM 0 HH11 ARG A1071 8.911 -2.498 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A1071 9.817 -3.419 5.751 1.00 0.00 H new ATOM 0 HH21 ARG A1071 9.409 -1.027 8.301 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.097 -2.593 7.859 1.00 0.00 H new ATOM 67 N VAL A1072 6.880 4.480 4.242 1.00 0.00 N ATOM 68 CA VAL A1072 7.737 5.597 4.618 1.00 0.00 C ATOM 69 C VAL A1072 8.169 5.470 6.074 1.00 0.00 C ATOM 70 O VAL A1072 7.512 4.796 6.870 1.00 0.00 O ATOM 71 CB VAL A1072 7.035 6.966 4.420 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.551 7.133 2.988 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.878 7.130 5.395 1.00 0.00 C ATOM 0 H VAL A1072 6.149 4.263 4.919 1.00 0.00 H new ATOM 0 HA VAL A1072 8.607 5.559 3.963 1.00 0.00 H new ATOM 0 HB VAL A1072 7.769 7.746 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A1072 6.063 8.102 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.401 7.076 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.842 6.341 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.402 8.098 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.149 6.336 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.253 7.074 6.417 1.00 0.00 H new ATOM 83 N LYS A1073 9.271 6.116 6.416 1.00 0.00 N ATOM 84 CA LYS A1073 9.762 6.110 7.786 1.00 0.00 C ATOM 85 C LYS A1073 9.950 7.544 8.238 1.00 0.00 C ATOM 86 O LYS A1073 10.438 8.386 7.478 1.00 0.00 O ATOM 87 CB LYS A1073 11.077 5.319 7.889 1.00 0.00 C ATOM 88 CG LYS A1073 11.405 4.802 9.290 1.00 0.00 C ATOM 89 CD LYS A1073 11.997 5.872 10.196 1.00 0.00 C ATOM 90 CE LYS A1073 13.363 6.330 9.708 1.00 0.00 C ATOM 91 NZ LYS A1073 14.000 7.291 10.647 1.00 0.00 N ATOM 0 H LYS A1073 9.844 6.652 5.764 1.00 0.00 H new ATOM 0 HA LYS A1073 9.038 5.618 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.029 4.471 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A1073 11.895 5.955 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.497 4.408 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.108 3.972 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.321 6.726 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.085 5.482 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.012 5.463 9.582 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.260 6.796 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.793 7.767 10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.300 7.999 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.353 6.779 11.481 1.00 0.00 H new ATOM 105 N THR A1074 9.540 7.828 9.458 1.00 0.00 N ATOM 106 CA THR A1074 9.593 9.177 9.978 1.00 0.00 C ATOM 107 C THR A1074 11.023 9.570 10.322 1.00 0.00 C ATOM 108 O THR A1074 11.681 8.929 11.146 1.00 0.00 O ATOM 109 CB THR A1074 8.695 9.317 11.217 1.00 0.00 C ATOM 110 OG1 THR A1074 9.166 8.470 12.261 1.00 0.00 O ATOM 111 CG2 THR A1074 7.261 8.940 10.889 1.00 0.00 C ATOM 0 H THR A1074 9.165 7.138 10.109 1.00 0.00 H new ATOM 0 HA THR A1074 9.226 9.849 9.202 1.00 0.00 H new ATOM 0 HB THR A1074 8.728 10.358 11.540 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.076 8.930 13.121 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.644 9.047 11.781 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.883 9.596 10.105 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.226 7.906 10.545 1.00 0.00 H new ATOM 119 N ILE A1075 11.507 10.611 9.666 1.00 0.00 N ATOM 120 CA ILE A1075 12.840 11.124 9.923 1.00 0.00 C ATOM 121 C ILE A1075 12.755 12.299 10.875 1.00 0.00 C ATOM 122 O ILE A1075 13.759 12.897 11.257 1.00 0.00 O ATOM 123 CB ILE A1075 13.544 11.556 8.624 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.622 12.417 7.755 1.00 0.00 C ATOM 125 CG2 ILE A1075 14.017 10.335 7.856 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.263 12.894 6.466 1.00 0.00 C ATOM 0 H ILE A1075 10.992 11.120 8.947 1.00 0.00 H new ATOM 0 HA ILE A1075 13.429 10.323 10.370 1.00 0.00 H new ATOM 0 HB ILE A1075 14.410 12.162 8.890 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.727 11.844 7.514 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.300 13.284 8.332 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.514 10.652 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.716 9.767 8.470 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.161 9.708 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.548 13.497 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.142 13.495 6.698 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.560 12.033 5.867 1.00 0.00 H new ATOM 138 N TYR A1076 11.528 12.611 11.242 1.00 0.00 N ATOM 139 CA TYR A1076 11.233 13.681 12.169 1.00 0.00 C ATOM 140 C TYR A1076 10.028 13.345 13.012 1.00 0.00 C ATOM 141 O TYR A1076 9.366 12.330 12.795 1.00 0.00 O ATOM 142 CB TYR A1076 10.957 14.970 11.416 1.00 0.00 C ATOM 143 CG TYR A1076 12.199 15.686 11.013 1.00 0.00 C ATOM 144 CD1 TYR A1076 12.853 16.495 11.924 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.735 15.555 9.736 1.00 0.00 C ATOM 146 CE1 TYR A1076 13.997 17.150 11.585 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.885 16.206 9.401 1.00 0.00 C ATOM 148 CZ TYR A1076 14.509 17.000 10.332 1.00 0.00 C ATOM 149 OH TYR A1076 15.658 17.637 10.013 1.00 0.00 O ATOM 0 H TYR A1076 10.700 12.123 10.900 1.00 0.00 H new ATOM 0 HA TYR A1076 12.101 13.808 12.815 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.369 14.746 10.526 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.352 15.627 12.041 1.00 0.00 H new ATOM 0 HD1 TYR A1076 12.450 16.609 12.920 1.00 0.00 H new ATOM 0 HD2 TYR A1076 12.237 14.934 9.006 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.495 17.784 12.304 1.00 0.00 H new ATOM 0 HE2 TYR A1076 14.302 16.098 8.411 1.00 0.00 H new ATOM 0 HH TYR A1076 15.798 17.593 9.044 1.00 0.00 H new ATOM 159 N ASP A1077 9.755 14.207 13.974 1.00 0.00 N ATOM 160 CA ASP A1077 8.565 14.095 14.778 1.00 0.00 C ATOM 161 C ASP A1077 7.635 15.249 14.447 1.00 0.00 C ATOM 162 O ASP A1077 8.041 16.413 14.437 1.00 0.00 O ATOM 163 CB ASP A1077 8.912 14.082 16.270 1.00 0.00 C ATOM 164 CG ASP A1077 9.441 15.407 16.782 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.593 15.760 16.458 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.713 16.083 17.537 1.00 0.00 O ATOM 0 H ASP A1077 10.352 14.998 14.215 1.00 0.00 H new ATOM 0 HA ASP A1077 8.065 13.153 14.553 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.023 13.811 16.839 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.656 13.307 16.455 1.00 0.00 H new ATOM 171 N CYS A1078 6.401 14.924 14.140 1.00 0.00 N ATOM 172 CA CYS A1078 5.427 15.930 13.781 1.00 0.00 C ATOM 173 C CYS A1078 4.127 15.659 14.487 1.00 0.00 C ATOM 174 O CYS A1078 3.753 14.506 14.702 1.00 0.00 O ATOM 175 CB CYS A1078 5.180 15.964 12.278 1.00 0.00 C ATOM 176 SG CYS A1078 4.069 17.294 11.756 1.00 0.00 S ATOM 0 H CYS A1078 6.046 13.968 14.131 1.00 0.00 H new ATOM 0 HA CYS A1078 5.827 16.897 14.085 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.135 16.077 11.764 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.760 15.008 11.965 1.00 0.00 H new ATOM 0 HG CYS A1078 4.691 18.079 10.928 1.00 0.00 H new ATOM 182 N GLN A1079 3.442 16.720 14.836 1.00 0.00 N ATOM 183 CA GLN A1079 2.159 16.595 15.494 1.00 0.00 C ATOM 184 C GLN A1079 1.059 17.256 14.670 1.00 0.00 C ATOM 185 O GLN A1079 1.345 18.055 13.774 1.00 0.00 O ATOM 186 CB GLN A1079 2.231 17.166 16.919 1.00 0.00 C ATOM 187 CG GLN A1079 0.933 17.069 17.707 1.00 0.00 C ATOM 188 CD GLN A1079 1.106 17.425 19.168 1.00 0.00 C ATOM 189 OE1 GLN A1079 1.968 18.230 19.526 1.00 0.00 O ATOM 190 NE2 GLN A1079 0.287 16.832 20.017 1.00 0.00 N ATOM 0 H GLN A1079 3.748 17.680 14.677 1.00 0.00 H new ATOM 0 HA GLN A1079 1.907 15.537 15.574 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.014 16.641 17.467 1.00 0.00 H new ATOM 0 HB3 GLN A1079 2.529 18.213 16.862 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.192 17.733 17.261 1.00 0.00 H new ATOM 0 HG3 GLN A1079 0.541 16.055 17.629 1.00 0.00 H new ATOM 0 HE21 GLN A1079 -0.412 16.172 19.675 1.00 0.00 H new ATOM 0 HE22 GLN A1079 0.353 17.034 21.015 1.00 0.00 H new ATOM 199 N ALA A1080 -0.170 16.843 14.953 1.00 0.00 N ATOM 200 CA ALA A1080 -1.402 17.340 14.321 1.00 0.00 C ATOM 201 C ALA A1080 -1.327 18.755 13.744 1.00 0.00 C ATOM 202 O ALA A1080 -0.767 19.679 14.341 1.00 0.00 O ATOM 203 CB ALA A1080 -2.541 17.280 15.323 1.00 0.00 C ATOM 0 H ALA A1080 -0.351 16.125 15.655 1.00 0.00 H new ATOM 0 HA ALA A1080 -1.565 16.683 13.466 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.455 17.648 14.857 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -2.688 16.249 15.646 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.299 17.900 16.186 1.00 0.00 H new ATOM 209 N ASP A1081 -1.918 18.900 12.565 1.00 0.00 N ATOM 210 CA ASP A1081 -2.077 20.199 11.923 1.00 0.00 C ATOM 211 C ASP A1081 -3.552 20.574 11.890 1.00 0.00 C ATOM 212 O ASP A1081 -3.913 21.739 11.731 1.00 0.00 O ATOM 213 CB ASP A1081 -1.537 20.147 10.493 1.00 0.00 C ATOM 214 CG ASP A1081 -1.521 21.501 9.804 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.339 22.526 10.493 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.695 21.542 8.568 1.00 0.00 O ATOM 0 H ASP A1081 -2.300 18.122 12.027 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.520 20.945 12.490 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.524 19.744 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.145 19.457 9.908 1.00 0.00 H new ATOM 221 N ASN A1082 -4.403 19.570 12.049 1.00 0.00 N ATOM 222 CA ASN A1082 -5.837 19.756 11.923 1.00 0.00 C ATOM 223 C ASN A1082 -6.557 18.592 12.604 1.00 0.00 C ATOM 224 O ASN A1082 -5.919 17.816 13.316 1.00 0.00 O ATOM 225 CB ASN A1082 -6.201 19.865 10.436 1.00 0.00 C ATOM 226 CG ASN A1082 -7.587 20.426 10.185 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.545 19.680 10.005 1.00 0.00 O ATOM 228 ND2 ASN A1082 -7.699 21.742 10.177 1.00 0.00 N ATOM 0 H ASN A1082 -4.121 18.614 12.267 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.152 20.677 12.414 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.467 20.498 9.937 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.131 18.877 9.981 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -8.608 22.175 10.017 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -6.876 22.325 10.331 1.00 0.00 H new ATOM 235 N ASP A1083 -7.860 18.463 12.405 1.00 0.00 N ATOM 236 CA ASP A1083 -8.635 17.431 13.094 1.00 0.00 C ATOM 237 C ASP A1083 -8.276 16.029 12.595 1.00 0.00 C ATOM 238 O ASP A1083 -8.137 15.094 13.388 1.00 0.00 O ATOM 239 CB ASP A1083 -10.131 17.679 12.903 1.00 0.00 C ATOM 240 CG ASP A1083 -10.984 16.685 13.665 1.00 0.00 C ATOM 241 OD1 ASP A1083 -11.306 16.954 14.846 1.00 0.00 O ATOM 242 OD2 ASP A1083 -11.343 15.634 13.089 1.00 0.00 O ATOM 0 H ASP A1083 -8.404 19.054 11.777 1.00 0.00 H new ATOM 0 HA ASP A1083 -8.388 17.486 14.154 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -10.374 18.689 13.232 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -10.373 17.623 11.842 1.00 0.00 H new ATOM 247 N ASP A1084 -8.097 15.892 11.288 1.00 0.00 N ATOM 248 CA ASP A1084 -7.781 14.600 10.689 1.00 0.00 C ATOM 249 C ASP A1084 -6.323 14.558 10.245 1.00 0.00 C ATOM 250 O ASP A1084 -5.980 14.930 9.128 1.00 0.00 O ATOM 251 CB ASP A1084 -8.730 14.294 9.513 1.00 0.00 C ATOM 252 CG ASP A1084 -8.689 15.333 8.403 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.862 16.534 8.693 1.00 0.00 O ATOM 254 OD2 ASP A1084 -8.479 14.956 7.228 1.00 0.00 O ATOM 0 H ASP A1084 -8.165 16.660 10.621 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.927 13.827 11.443 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.474 13.320 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -9.750 14.220 9.891 1.00 0.00 H new ATOM 259 N GLU A1085 -5.459 14.140 11.151 1.00 0.00 N ATOM 260 CA GLU A1085 -4.035 14.057 10.872 1.00 0.00 C ATOM 261 C GLU A1085 -3.451 12.729 11.347 1.00 0.00 C ATOM 262 O GLU A1085 -4.182 11.788 11.651 1.00 0.00 O ATOM 263 CB GLU A1085 -3.330 15.210 11.572 1.00 0.00 C ATOM 264 CG GLU A1085 -3.848 15.458 12.978 1.00 0.00 C ATOM 265 CD GLU A1085 -3.590 14.305 13.937 1.00 0.00 C ATOM 266 OE1 GLU A1085 -2.458 14.188 14.452 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.518 13.501 14.165 1.00 0.00 O ATOM 0 H GLU A1085 -5.720 13.850 12.094 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.885 14.119 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.261 15.002 11.616 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -3.454 16.117 10.980 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -3.381 16.360 13.374 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.920 15.648 12.932 1.00 0.00 H new ATOM 274 N LEU A1086 -2.132 12.669 11.392 1.00 0.00 N ATOM 275 CA LEU A1086 -1.425 11.556 11.995 1.00 0.00 C ATOM 276 C LEU A1086 -0.163 12.073 12.677 1.00 0.00 C ATOM 277 O LEU A1086 0.800 12.457 12.012 1.00 0.00 O ATOM 278 CB LEU A1086 -1.088 10.496 10.935 1.00 0.00 C ATOM 279 CG LEU A1086 -0.381 9.240 11.454 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.914 8.009 10.754 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.113 9.334 11.223 1.00 0.00 C ATOM 0 H LEU A1086 -1.521 13.392 11.011 1.00 0.00 H new ATOM 0 HA LEU A1086 -2.061 11.082 12.743 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -2.013 10.193 10.443 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.458 10.957 10.174 1.00 0.00 H new ATOM 0 HG LEU A1086 -0.575 9.163 12.524 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.402 7.125 11.133 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.984 7.918 10.942 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -0.741 8.097 9.681 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.597 8.432 11.599 1.00 0.00 H new ATOM 0 HD22 LEU A1086 1.311 9.434 10.156 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.508 10.203 11.748 1.00 0.00 H new ATOM 293 N THR A1087 -0.185 12.115 14.003 1.00 0.00 N ATOM 294 CA THR A1087 0.964 12.560 14.771 1.00 0.00 C ATOM 295 C THR A1087 1.989 11.434 14.884 1.00 0.00 C ATOM 296 O THR A1087 1.646 10.298 15.212 1.00 0.00 O ATOM 297 CB THR A1087 0.542 13.041 16.178 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.318 14.186 16.067 1.00 0.00 O ATOM 299 CG2 THR A1087 1.752 13.386 17.036 1.00 0.00 C ATOM 0 H THR A1087 -0.990 11.845 14.568 1.00 0.00 H new ATOM 0 HA THR A1087 1.416 13.402 14.247 1.00 0.00 H new ATOM 0 HB THR A1087 0.006 12.226 16.663 1.00 0.00 H new ATOM 0 HG1 THR A1087 -1.142 13.932 15.601 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.418 13.720 18.018 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.382 12.504 17.148 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.323 14.181 16.557 1.00 0.00 H new ATOM 307 N PHE A1088 3.244 11.752 14.606 1.00 0.00 N ATOM 308 CA PHE A1088 4.297 10.742 14.607 1.00 0.00 C ATOM 309 C PHE A1088 5.583 11.290 15.193 1.00 0.00 C ATOM 310 O PHE A1088 5.768 12.502 15.292 1.00 0.00 O ATOM 311 CB PHE A1088 4.552 10.208 13.185 1.00 0.00 C ATOM 312 CG PHE A1088 4.927 11.258 12.163 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.165 11.885 12.202 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.043 11.610 11.157 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.508 12.837 11.265 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.383 12.562 10.218 1.00 0.00 C ATOM 317 CZ PHE A1088 5.616 13.175 10.271 1.00 0.00 C ATOM 0 H PHE A1088 3.559 12.695 14.378 1.00 0.00 H new ATOM 0 HA PHE A1088 3.956 9.918 15.233 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.349 9.466 13.230 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.655 9.692 12.841 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.870 11.623 12.977 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.075 11.133 11.107 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.474 13.317 11.310 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.682 12.827 9.440 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.883 13.919 9.535 1.00 0.00 H new ATOM 327 N ILE A1089 6.465 10.385 15.576 1.00 0.00 N ATOM 328 CA ILE A1089 7.774 10.749 16.084 1.00 0.00 C ATOM 329 C ILE A1089 8.853 10.006 15.313 1.00 0.00 C ATOM 330 O ILE A1089 8.585 8.955 14.732 1.00 0.00 O ATOM 331 CB ILE A1089 7.900 10.485 17.609 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.151 9.212 18.025 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.378 11.678 18.392 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.801 7.933 17.566 1.00 0.00 C ATOM 0 H ILE A1089 6.294 9.380 15.544 1.00 0.00 H new ATOM 0 HA ILE A1089 7.905 11.821 15.937 1.00 0.00 H new ATOM 0 HB ILE A1089 8.956 10.340 17.835 1.00 0.00 H new ATOM 0 HG12 ILE A1089 7.066 9.193 19.112 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.137 9.254 17.627 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.471 11.481 19.460 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.958 12.564 18.134 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.330 11.845 18.144 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.208 7.082 17.902 1.00 0.00 H new ATOM 0 HD12 ILE A1089 7.862 7.926 16.478 1.00 0.00 H new ATOM 0 HD13 ILE A1089 8.805 7.864 17.986 1.00 0.00 H new ATOM 346 N GLU A1090 10.049 10.578 15.279 1.00 0.00 N ATOM 347 CA GLU A1090 11.163 10.014 14.514 1.00 0.00 C ATOM 348 C GLU A1090 11.431 8.568 14.922 1.00 0.00 C ATOM 349 O GLU A1090 11.686 8.282 16.093 1.00 0.00 O ATOM 350 CB GLU A1090 12.420 10.873 14.712 1.00 0.00 C ATOM 351 CG GLU A1090 13.507 10.655 13.666 1.00 0.00 C ATOM 352 CD GLU A1090 14.379 9.447 13.934 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.277 9.535 14.801 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.194 8.414 13.263 1.00 0.00 O ATOM 0 H GLU A1090 10.278 11.439 15.775 1.00 0.00 H new ATOM 0 HA GLU A1090 10.894 10.017 13.458 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.131 11.924 14.704 1.00 0.00 H new ATOM 0 HB3 GLU A1090 12.835 10.664 15.698 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.040 10.544 12.688 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.137 11.543 13.620 1.00 0.00 H new ATOM 361 N GLY A1091 11.371 7.666 13.950 1.00 0.00 N ATOM 362 CA GLY A1091 11.580 6.256 14.223 1.00 0.00 C ATOM 363 C GLY A1091 10.353 5.415 13.924 1.00 0.00 C ATOM 364 O GLY A1091 10.425 4.184 13.920 1.00 0.00 O ATOM 0 H GLY A1091 11.180 7.887 12.973 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.418 5.895 13.626 1.00 0.00 H new ATOM 0 HA3 GLY A1091 11.856 6.130 15.270 1.00 0.00 H new ATOM 368 N GLU A1092 9.228 6.075 13.677 1.00 0.00 N ATOM 369 CA GLU A1092 7.996 5.380 13.315 1.00 0.00 C ATOM 370 C GLU A1092 7.980 5.013 11.839 1.00 0.00 C ATOM 371 O GLU A1092 8.673 5.627 11.023 1.00 0.00 O ATOM 372 CB GLU A1092 6.769 6.232 13.636 1.00 0.00 C ATOM 373 CG GLU A1092 6.343 6.158 15.086 1.00 0.00 C ATOM 374 CD GLU A1092 6.188 4.735 15.581 1.00 0.00 C ATOM 375 OE1 GLU A1092 5.334 4.003 15.048 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.916 4.343 16.518 1.00 0.00 O ATOM 0 H GLU A1092 9.142 7.090 13.720 1.00 0.00 H new ATOM 0 HA GLU A1092 7.961 4.465 13.907 1.00 0.00 H new ATOM 0 HB2 GLU A1092 6.981 7.270 13.381 1.00 0.00 H new ATOM 0 HB3 GLU A1092 5.940 5.912 13.005 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.079 6.674 15.703 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.397 6.686 15.209 1.00 0.00 H new ATOM 383 N VAL A1093 7.172 4.020 11.501 1.00 0.00 N ATOM 384 CA VAL A1093 7.035 3.576 10.120 1.00 0.00 C ATOM 385 C VAL A1093 5.581 3.678 9.697 1.00 0.00 C ATOM 386 O VAL A1093 4.694 3.144 10.365 1.00 0.00 O ATOM 387 CB VAL A1093 7.522 2.122 9.920 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.341 1.677 8.472 1.00 0.00 C ATOM 389 CG2 VAL A1093 8.975 1.987 10.340 1.00 0.00 C ATOM 0 H VAL A1093 6.598 3.503 12.167 1.00 0.00 H new ATOM 0 HA VAL A1093 7.660 4.223 9.505 1.00 0.00 H new ATOM 0 HB VAL A1093 6.915 1.472 10.550 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.692 0.651 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.286 1.731 8.204 1.00 0.00 H new ATOM 0 HG13 VAL A1093 7.916 2.330 7.816 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.302 0.958 10.193 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.592 2.653 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.076 2.253 11.392 1.00 0.00 H new ATOM 399 N ILE A1094 5.336 4.360 8.597 1.00 0.00 N ATOM 400 CA ILE A1094 3.980 4.604 8.158 1.00 0.00 C ATOM 401 C ILE A1094 3.719 3.941 6.815 1.00 0.00 C ATOM 402 O ILE A1094 4.508 4.077 5.877 1.00 0.00 O ATOM 403 CB ILE A1094 3.684 6.111 8.032 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.253 6.878 9.231 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.183 6.333 7.926 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.094 8.380 9.124 1.00 0.00 C ATOM 0 H ILE A1094 6.057 4.754 7.993 1.00 0.00 H new ATOM 0 HA ILE A1094 3.323 4.177 8.915 1.00 0.00 H new ATOM 0 HB ILE A1094 4.165 6.488 7.130 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.759 6.533 10.139 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.312 6.640 9.334 1.00 0.00 H new ATOM 0 HG21 ILE A1094 1.978 7.400 7.837 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.800 5.816 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.694 5.943 8.818 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.520 8.855 10.008 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.612 8.738 8.235 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.035 8.630 9.052 1.00 0.00 H new ATOM 418 N ILE A1095 2.623 3.210 6.737 1.00 0.00 N ATOM 419 CA ILE A1095 2.198 2.609 5.490 1.00 0.00 C ATOM 420 C ILE A1095 1.278 3.573 4.751 1.00 0.00 C ATOM 421 O ILE A1095 0.125 3.769 5.147 1.00 0.00 O ATOM 422 CB ILE A1095 1.467 1.268 5.723 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.359 0.296 6.506 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.039 0.650 4.398 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.670 -0.029 5.816 1.00 0.00 C ATOM 0 H ILE A1095 2.009 3.018 7.528 1.00 0.00 H new ATOM 0 HA ILE A1095 3.086 2.405 4.892 1.00 0.00 H new ATOM 0 HB ILE A1095 0.572 1.466 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.572 0.723 7.486 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.809 -0.630 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.526 -0.293 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.366 1.332 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.919 0.468 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.244 -0.721 6.432 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.468 -0.487 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.242 0.887 5.672 1.00 0.00 H new ATOM 437 N VAL A1096 1.809 4.190 3.706 1.00 0.00 N ATOM 438 CA VAL A1096 1.069 5.154 2.904 1.00 0.00 C ATOM 439 C VAL A1096 -0.017 4.448 2.102 1.00 0.00 C ATOM 440 O VAL A1096 0.272 3.633 1.219 1.00 0.00 O ATOM 441 CB VAL A1096 2.003 5.920 1.934 1.00 0.00 C ATOM 442 CG1 VAL A1096 1.237 6.968 1.138 1.00 0.00 C ATOM 443 CG2 VAL A1096 3.153 6.567 2.689 1.00 0.00 C ATOM 0 H VAL A1096 2.766 4.036 3.389 1.00 0.00 H new ATOM 0 HA VAL A1096 0.616 5.872 3.588 1.00 0.00 H new ATOM 0 HB VAL A1096 2.412 5.194 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.921 7.487 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.455 6.482 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.785 7.686 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.795 7.099 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.757 7.269 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.732 5.797 3.199 1.00 0.00 H new ATOM 453 N THR A1097 -1.257 4.751 2.431 1.00 0.00 N ATOM 454 CA THR A1097 -2.393 4.162 1.752 1.00 0.00 C ATOM 455 C THR A1097 -3.018 5.157 0.785 1.00 0.00 C ATOM 456 O THR A1097 -3.753 4.777 -0.126 1.00 0.00 O ATOM 457 CB THR A1097 -3.455 3.694 2.763 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.659 4.704 3.763 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.034 2.394 3.425 1.00 0.00 C ATOM 0 H THR A1097 -1.504 5.408 3.171 1.00 0.00 H new ATOM 0 HA THR A1097 -2.032 3.299 1.193 1.00 0.00 H new ATOM 0 HB THR A1097 -4.388 3.523 2.225 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.337 4.400 4.402 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.800 2.083 4.135 1.00 0.00 H new ATOM 0 HG22 THR A1097 -2.909 1.623 2.665 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.091 2.542 3.950 1.00 0.00 H new ATOM 467 N GLY A1098 -2.724 6.431 0.989 1.00 0.00 N ATOM 468 CA GLY A1098 -3.302 7.456 0.156 1.00 0.00 C ATOM 469 C GLY A1098 -2.519 8.746 0.195 1.00 0.00 C ATOM 470 O GLY A1098 -1.427 8.811 0.758 1.00 0.00 O ATOM 0 H GLY A1098 -2.095 6.771 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.353 7.097 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.326 7.647 0.478 1.00 0.00 H new ATOM 474 N GLU A1099 -3.099 9.777 -0.382 1.00 0.00 N ATOM 475 CA GLU A1099 -2.463 11.076 -0.491 1.00 0.00 C ATOM 476 C GLU A1099 -3.538 12.148 -0.551 1.00 0.00 C ATOM 477 O GLU A1099 -4.491 12.034 -1.322 1.00 0.00 O ATOM 478 CB GLU A1099 -1.599 11.119 -1.750 1.00 0.00 C ATOM 479 CG GLU A1099 -1.198 12.515 -2.183 1.00 0.00 C ATOM 480 CD GLU A1099 -0.643 12.536 -3.587 1.00 0.00 C ATOM 481 OE1 GLU A1099 -0.986 11.628 -4.377 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.116 13.468 -3.918 1.00 0.00 O ATOM 0 H GLU A1099 -4.032 9.739 -0.792 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.826 11.254 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.697 10.531 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.141 10.640 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -2.064 13.175 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.452 12.908 -1.493 1.00 0.00 H new ATOM 489 N GLU A1100 -3.391 13.189 0.248 1.00 0.00 N ATOM 490 CA GLU A1100 -4.423 14.213 0.310 1.00 0.00 C ATOM 491 C GLU A1100 -3.937 15.466 -0.396 1.00 0.00 C ATOM 492 O GLU A1100 -4.687 16.113 -1.127 1.00 0.00 O ATOM 493 CB GLU A1100 -4.833 14.507 1.753 1.00 0.00 C ATOM 494 CG GLU A1100 -6.220 15.123 1.850 1.00 0.00 C ATOM 495 CD GLU A1100 -6.748 15.203 3.267 1.00 0.00 C ATOM 496 OE1 GLU A1100 -6.979 14.143 3.882 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.961 16.328 3.762 1.00 0.00 O ATOM 0 H GLU A1100 -2.585 13.349 0.853 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.313 13.846 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -4.808 13.583 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.106 15.183 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -6.194 16.126 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -6.912 14.537 1.245 1.00 0.00 H new ATOM 504 N ASP A1101 -2.676 15.792 -0.189 1.00 0.00 N ATOM 505 CA ASP A1101 -2.025 16.811 -0.985 1.00 0.00 C ATOM 506 C ASP A1101 -0.558 16.450 -1.168 1.00 0.00 C ATOM 507 O ASP A1101 -0.113 15.412 -0.680 1.00 0.00 O ATOM 508 CB ASP A1101 -2.202 18.223 -0.388 1.00 0.00 C ATOM 509 CG ASP A1101 -1.405 18.488 0.875 1.00 0.00 C ATOM 510 OD1 ASP A1101 -0.157 18.495 0.809 1.00 0.00 O ATOM 511 OD2 ASP A1101 -2.032 18.747 1.927 1.00 0.00 O ATOM 0 H ASP A1101 -2.083 15.366 0.523 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.504 16.842 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -1.917 18.958 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -3.259 18.381 -0.173 1.00 0.00 H new ATOM 516 N GLN A1102 0.172 17.291 -1.879 1.00 0.00 N ATOM 517 CA GLN A1102 1.554 17.007 -2.253 1.00 0.00 C ATOM 518 C GLN A1102 2.428 16.668 -1.054 1.00 0.00 C ATOM 519 O GLN A1102 3.224 15.727 -1.100 1.00 0.00 O ATOM 520 CB GLN A1102 2.142 18.212 -2.993 1.00 0.00 C ATOM 521 CG GLN A1102 3.635 18.108 -3.252 1.00 0.00 C ATOM 522 CD GLN A1102 4.170 19.308 -4.001 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.187 19.330 -5.231 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.601 20.321 -3.271 1.00 0.00 N ATOM 0 H GLN A1102 -0.172 18.190 -2.215 1.00 0.00 H new ATOM 0 HA GLN A1102 1.541 16.131 -2.901 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.625 18.328 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.946 19.113 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.161 18.011 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.841 17.203 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A1102 4.571 20.265 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.964 21.159 -3.725 1.00 0.00 H new ATOM 533 N GLU A1103 2.267 17.408 0.018 1.00 0.00 N ATOM 534 CA GLU A1103 3.177 17.305 1.137 1.00 0.00 C ATOM 535 C GLU A1103 2.463 16.719 2.345 1.00 0.00 C ATOM 536 O GLU A1103 2.986 16.717 3.460 1.00 0.00 O ATOM 537 CB GLU A1103 3.750 18.685 1.439 1.00 0.00 C ATOM 538 CG GLU A1103 5.024 18.644 2.245 1.00 0.00 C ATOM 539 CD GLU A1103 5.748 19.974 2.263 1.00 0.00 C ATOM 540 OE1 GLU A1103 5.094 21.013 2.041 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.978 19.988 2.488 1.00 0.00 O ATOM 0 H GLU A1103 1.516 18.087 0.140 1.00 0.00 H new ATOM 0 HA GLU A1103 3.999 16.633 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.940 19.204 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A1103 3.005 19.268 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.792 18.347 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.685 17.881 1.834 1.00 0.00 H new ATOM 548 N TRP A1104 1.275 16.200 2.100 1.00 0.00 N ATOM 549 CA TRP A1104 0.470 15.582 3.147 1.00 0.00 C ATOM 550 C TRP A1104 -0.200 14.316 2.636 1.00 0.00 C ATOM 551 O TRP A1104 -1.158 14.367 1.856 1.00 0.00 O ATOM 552 CB TRP A1104 -0.579 16.557 3.667 1.00 0.00 C ATOM 553 CG TRP A1104 -0.023 17.626 4.555 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.531 18.813 4.171 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.018 17.611 5.984 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.901 19.536 5.274 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.600 18.821 6.397 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.386 16.693 6.956 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.787 19.137 7.733 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.199 17.011 8.287 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.385 18.226 8.663 1.00 0.00 C ATOM 0 H TRP A1104 0.839 16.192 1.178 1.00 0.00 H new ATOM 0 HA TRP A1104 1.135 15.315 3.968 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.078 17.026 2.819 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.338 16.000 4.216 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.659 19.135 3.148 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.332 20.460 5.259 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.836 15.753 6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.236 20.074 8.027 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.508 16.311 9.049 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.520 18.446 9.712 1.00 0.00 H new ATOM 572 N TRP A1105 0.307 13.179 3.082 1.00 0.00 N ATOM 573 CA TRP A1105 -0.174 11.892 2.606 1.00 0.00 C ATOM 574 C TRP A1105 -0.980 11.188 3.675 1.00 0.00 C ATOM 575 O TRP A1105 -0.959 11.579 4.838 1.00 0.00 O ATOM 576 CB TRP A1105 0.995 11.016 2.160 1.00 0.00 C ATOM 577 CG TRP A1105 1.682 11.558 0.952 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.364 12.698 0.289 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.799 10.994 0.269 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.194 12.886 -0.772 1.00 0.00 N ATOM 581 CE2 TRP A1105 3.100 11.851 -0.810 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.568 9.848 0.463 1.00 0.00 C ATOM 583 CZ2 TRP A1105 4.151 11.592 -1.687 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.605 9.594 -0.406 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.891 10.461 -1.469 1.00 0.00 C ATOM 0 H TRP A1105 1.053 13.121 3.775 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.824 12.070 1.749 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.713 10.930 2.975 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.632 10.010 1.948 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.561 13.365 0.566 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.152 13.664 -1.430 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.355 9.173 1.279 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.374 12.258 -2.508 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 5.209 8.710 -0.266 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.713 10.232 -2.131 1.00 0.00 H new ATOM 596 N ILE A1106 -1.676 10.144 3.277 1.00 0.00 N ATOM 597 CA ILE A1106 -2.550 9.427 4.179 1.00 0.00 C ATOM 598 C ILE A1106 -2.049 8.013 4.367 1.00 0.00 C ATOM 599 O ILE A1106 -1.679 7.344 3.405 1.00 0.00 O ATOM 600 CB ILE A1106 -3.990 9.368 3.643 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.488 10.768 3.297 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.909 8.715 4.667 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.844 10.767 2.640 1.00 0.00 C ATOM 0 H ILE A1106 -1.652 9.772 2.328 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.549 9.962 5.129 1.00 0.00 H new ATOM 0 HB ILE A1106 -3.998 8.765 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.532 11.367 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.770 11.249 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.925 8.680 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.564 7.701 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.897 9.296 5.589 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.142 11.792 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.799 10.194 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.573 10.314 3.312 1.00 0.00 H new ATOM 615 N GLY A1107 -2.022 7.569 5.601 1.00 0.00 N ATOM 616 CA GLY A1107 -1.593 6.224 5.875 1.00 0.00 C ATOM 617 C GLY A1107 -1.765 5.855 7.324 1.00 0.00 C ATOM 618 O GLY A1107 -2.392 6.591 8.082 1.00 0.00 O ATOM 0 H GLY A1107 -2.289 8.114 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.161 5.530 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.545 6.115 5.596 1.00 0.00 H new ATOM 622 N HIS A1108 -1.192 4.727 7.706 1.00 0.00 N ATOM 623 CA HIS A1108 -1.304 4.233 9.071 1.00 0.00 C ATOM 624 C HIS A1108 0.021 3.654 9.536 1.00 0.00 C ATOM 625 O HIS A1108 0.761 3.063 8.748 1.00 0.00 O ATOM 626 CB HIS A1108 -2.421 3.178 9.193 1.00 0.00 C ATOM 627 CG HIS A1108 -2.300 1.996 8.268 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.001 1.896 7.086 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.576 0.853 8.368 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.718 0.745 6.501 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.856 0.096 7.258 1.00 0.00 N ATOM 0 H HIS A1108 -0.641 4.132 7.088 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.564 5.076 9.712 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.442 2.813 10.220 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.379 3.665 9.009 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.904 0.588 9.171 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.124 0.396 5.563 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.461 -0.821 7.052 1.00 0.00 H new ATOM 640 N ILE A1109 0.315 3.837 10.813 1.00 0.00 N ATOM 641 CA ILE A1109 1.536 3.318 11.405 1.00 0.00 C ATOM 642 C ILE A1109 1.572 1.798 11.293 1.00 0.00 C ATOM 643 O ILE A1109 0.606 1.116 11.626 1.00 0.00 O ATOM 644 CB ILE A1109 1.654 3.728 12.891 1.00 0.00 C ATOM 645 CG1 ILE A1109 1.772 5.250 13.028 1.00 0.00 C ATOM 646 CG2 ILE A1109 2.840 3.048 13.553 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.944 5.846 12.279 1.00 0.00 C ATOM 0 H ILE A1109 -0.282 4.346 11.464 1.00 0.00 H new ATOM 0 HA ILE A1109 2.378 3.744 10.859 1.00 0.00 H new ATOM 0 HB ILE A1109 0.746 3.402 13.398 1.00 0.00 H new ATOM 0 HG12 ILE A1109 0.852 5.709 12.667 1.00 0.00 H new ATOM 0 HG13 ILE A1109 1.862 5.504 14.084 1.00 0.00 H new ATOM 0 HG21 ILE A1109 2.899 3.355 14.597 1.00 0.00 H new ATOM 0 HG22 ILE A1109 2.716 1.966 13.499 1.00 0.00 H new ATOM 0 HG23 ILE A1109 3.757 3.334 13.039 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.958 6.926 12.426 1.00 0.00 H new ATOM 0 HD12 ILE A1109 3.873 5.416 12.655 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.847 5.626 11.216 1.00 0.00 H new ATOM 659 N GLU A1110 2.699 1.280 10.819 1.00 0.00 N ATOM 660 CA GLU A1110 2.867 -0.150 10.606 1.00 0.00 C ATOM 661 C GLU A1110 2.795 -0.904 11.932 1.00 0.00 C ATOM 662 O GLU A1110 2.464 -2.088 11.967 1.00 0.00 O ATOM 663 CB GLU A1110 4.208 -0.426 9.924 1.00 0.00 C ATOM 664 CG GLU A1110 4.366 -1.860 9.451 1.00 0.00 C ATOM 665 CD GLU A1110 5.761 -2.161 8.958 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.026 -1.968 7.759 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.599 -2.599 9.774 1.00 0.00 O ATOM 0 H GLU A1110 3.517 1.837 10.573 1.00 0.00 H new ATOM 0 HA GLU A1110 2.059 -0.499 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.317 0.243 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.014 -0.190 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.120 -2.537 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.652 -2.055 8.651 1.00 0.00 H new ATOM 674 N GLY A1111 3.116 -0.211 13.018 1.00 0.00 N ATOM 675 CA GLY A1111 3.060 -0.820 14.333 1.00 0.00 C ATOM 676 C GLY A1111 1.821 -0.425 15.113 1.00 0.00 C ATOM 677 O GLY A1111 1.681 -0.776 16.284 1.00 0.00 O ATOM 0 H GLY A1111 3.415 0.764 13.011 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.086 -1.905 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.946 -0.533 14.899 1.00 0.00 H new ATOM 681 N GLN A1112 0.925 0.306 14.466 1.00 0.00 N ATOM 682 CA GLN A1112 -0.314 0.746 15.093 1.00 0.00 C ATOM 683 C GLN A1112 -1.351 1.021 14.011 1.00 0.00 C ATOM 684 O GLN A1112 -1.427 2.130 13.478 1.00 0.00 O ATOM 685 CB GLN A1112 -0.076 2.009 15.932 1.00 0.00 C ATOM 686 CG GLN A1112 -0.714 1.977 17.320 1.00 0.00 C ATOM 687 CD GLN A1112 -2.235 2.044 17.304 1.00 0.00 C ATOM 688 OE1 GLN A1112 -2.888 1.575 16.375 1.00 0.00 O ATOM 689 NE2 GLN A1112 -2.811 2.641 18.336 1.00 0.00 N ATOM 0 H GLN A1112 1.034 0.609 13.498 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.677 -0.038 15.757 1.00 0.00 H new ATOM 0 HB2 GLN A1112 0.998 2.159 16.043 1.00 0.00 H new ATOM 0 HB3 GLN A1112 -0.464 2.870 15.388 1.00 0.00 H new ATOM 0 HG2 GLN A1112 -0.406 1.064 17.829 1.00 0.00 H new ATOM 0 HG3 GLN A1112 -0.330 2.813 17.905 1.00 0.00 H new ATOM 0 HE21 GLN A1112 -2.239 3.020 19.091 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -3.827 2.722 18.376 1.00 0.00 H new ATOM 698 N PRO A1113 -2.164 0.008 13.677 1.00 0.00 N ATOM 699 CA PRO A1113 -3.113 0.079 12.558 1.00 0.00 C ATOM 700 C PRO A1113 -4.240 1.082 12.780 1.00 0.00 C ATOM 701 O PRO A1113 -4.908 1.487 11.832 1.00 0.00 O ATOM 702 CB PRO A1113 -3.673 -1.343 12.475 1.00 0.00 C ATOM 703 CG PRO A1113 -3.499 -1.896 13.847 1.00 0.00 C ATOM 704 CD PRO A1113 -2.232 -1.290 14.373 1.00 0.00 C ATOM 0 HA PRO A1113 -2.623 0.421 11.646 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.722 -1.339 12.179 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.136 -1.938 11.737 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -4.348 -1.641 14.482 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -3.433 -2.984 13.825 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.265 -1.165 15.455 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -1.365 -1.912 14.150 1.00 0.00 H new ATOM 712 N GLU A1114 -4.451 1.486 14.027 1.00 0.00 N ATOM 713 CA GLU A1114 -5.504 2.444 14.338 1.00 0.00 C ATOM 714 C GLU A1114 -4.983 3.858 14.250 1.00 0.00 C ATOM 715 O GLU A1114 -5.754 4.813 14.156 1.00 0.00 O ATOM 716 CB GLU A1114 -6.090 2.199 15.719 1.00 0.00 C ATOM 717 CG GLU A1114 -6.624 0.801 15.880 1.00 0.00 C ATOM 718 CD GLU A1114 -7.684 0.705 16.952 1.00 0.00 C ATOM 719 OE1 GLU A1114 -7.326 0.587 18.141 1.00 0.00 O ATOM 720 OE2 GLU A1114 -8.881 0.746 16.603 1.00 0.00 O ATOM 0 H GLU A1114 -3.912 1.168 14.833 1.00 0.00 H new ATOM 0 HA GLU A1114 -6.295 2.307 13.600 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.324 2.381 16.473 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -6.892 2.914 15.902 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -7.040 0.463 14.931 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -5.802 0.128 16.125 1.00 0.00 H new ATOM 727 N ARG A1115 -3.675 3.996 14.277 1.00 0.00 N ATOM 728 CA ARG A1115 -3.079 5.293 14.096 1.00 0.00 C ATOM 729 C ARG A1115 -2.954 5.593 12.613 1.00 0.00 C ATOM 730 O ARG A1115 -1.950 5.258 11.985 1.00 0.00 O ATOM 731 CB ARG A1115 -1.706 5.379 14.770 1.00 0.00 C ATOM 732 CG ARG A1115 -1.766 5.524 16.281 1.00 0.00 C ATOM 733 CD ARG A1115 -0.373 5.666 16.875 1.00 0.00 C ATOM 734 NE ARG A1115 -0.405 6.031 18.288 1.00 0.00 N ATOM 735 CZ ARG A1115 0.644 6.509 18.953 1.00 0.00 C ATOM 736 NH1 ARG A1115 1.831 6.578 18.366 1.00 0.00 N ATOM 737 NH2 ARG A1115 0.510 6.892 20.215 1.00 0.00 N ATOM 0 H ARG A1115 -3.014 3.233 14.421 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.725 6.034 14.566 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -1.135 4.483 14.524 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -1.162 6.228 14.355 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.366 6.396 16.542 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -2.262 4.655 16.713 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.167 4.726 16.757 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.180 6.423 16.319 1.00 0.00 H new ATOM 0 HE ARG A1115 -1.282 5.913 18.795 1.00 0.00 H new ATOM 0 HH11 ARG A1115 1.942 6.264 17.402 1.00 0.00 H new ATOM 0 HH12 ARG A1115 2.633 6.945 18.879 1.00 0.00 H new ATOM 0 HH21 ARG A1115 -0.397 6.820 20.676 1.00 0.00 H new ATOM 0 HH22 ARG A1115 1.314 7.258 20.725 1.00 0.00 H new ATOM 751 N LYS A1116 -3.992 6.201 12.052 1.00 0.00 N ATOM 752 CA LYS A1116 -3.968 6.605 10.659 1.00 0.00 C ATOM 753 C LYS A1116 -4.320 8.075 10.546 1.00 0.00 C ATOM 754 O LYS A1116 -4.713 8.709 11.528 1.00 0.00 O ATOM 755 CB LYS A1116 -4.947 5.797 9.787 1.00 0.00 C ATOM 756 CG LYS A1116 -5.400 4.460 10.356 1.00 0.00 C ATOM 757 CD LYS A1116 -6.716 4.589 11.109 1.00 0.00 C ATOM 758 CE LYS A1116 -7.358 3.231 11.332 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.658 3.337 12.046 1.00 0.00 N ATOM 0 H LYS A1116 -4.858 6.423 12.543 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.959 6.415 10.294 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.830 6.409 9.604 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.478 5.617 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.512 3.739 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.633 4.070 11.026 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.542 5.074 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -7.398 5.228 10.548 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.512 2.741 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -6.680 2.600 11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.061 2.387 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.509 3.781 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -9.315 3.917 11.487 1.00 0.00 H new ATOM 773 N GLY A1117 -4.182 8.605 9.350 1.00 0.00 N ATOM 774 CA GLY A1117 -4.496 9.992 9.114 1.00 0.00 C ATOM 775 C GLY A1117 -3.562 10.612 8.107 1.00 0.00 C ATOM 776 O GLY A1117 -2.915 9.900 7.333 1.00 0.00 O ATOM 0 H GLY A1117 -3.855 8.095 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.523 10.077 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.437 10.543 10.053 1.00 0.00 H new ATOM 780 N VAL A1118 -3.477 11.930 8.123 1.00 0.00 N ATOM 781 CA VAL A1118 -2.654 12.648 7.169 1.00 0.00 C ATOM 782 C VAL A1118 -1.367 13.120 7.825 1.00 0.00 C ATOM 783 O VAL A1118 -1.393 13.777 8.867 1.00 0.00 O ATOM 784 CB VAL A1118 -3.395 13.860 6.581 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.805 14.235 5.232 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.877 13.565 6.472 1.00 0.00 C ATOM 0 H VAL A1118 -3.970 12.526 8.789 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.422 11.956 6.359 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.270 14.712 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.339 15.095 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.751 14.487 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.900 13.393 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.391 14.431 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -5.030 12.704 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.278 13.348 7.462 1.00 0.00 H new ATOM 796 N PHE A1119 -0.250 12.783 7.210 1.00 0.00 N ATOM 797 CA PHE A1119 1.059 13.121 7.753 1.00 0.00 C ATOM 798 C PHE A1119 1.885 13.908 6.739 1.00 0.00 C ATOM 799 O PHE A1119 1.816 13.655 5.535 1.00 0.00 O ATOM 800 CB PHE A1119 1.800 11.851 8.187 1.00 0.00 C ATOM 801 CG PHE A1119 1.803 10.754 7.159 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.775 9.829 7.127 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.832 10.637 6.237 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.770 8.812 6.197 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.832 9.616 5.305 1.00 0.00 C ATOM 806 CZ PHE A1119 1.795 8.703 5.285 1.00 0.00 C ATOM 0 H PHE A1119 -0.219 12.272 6.328 1.00 0.00 H new ATOM 0 HA PHE A1119 0.913 13.754 8.628 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.831 12.110 8.427 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.344 11.474 9.103 1.00 0.00 H new ATOM 0 HD1 PHE A1119 -0.033 9.905 7.839 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.642 11.351 6.247 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.041 8.098 6.184 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.641 9.532 4.594 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.789 7.906 4.556 1.00 0.00 H new ATOM 816 N PRO A1120 2.666 14.889 7.221 1.00 0.00 N ATOM 817 CA PRO A1120 3.489 15.737 6.363 1.00 0.00 C ATOM 818 C PRO A1120 4.722 15.019 5.843 1.00 0.00 C ATOM 819 O PRO A1120 5.536 14.501 6.615 1.00 0.00 O ATOM 820 CB PRO A1120 3.905 16.885 7.276 1.00 0.00 C ATOM 821 CG PRO A1120 3.853 16.323 8.652 1.00 0.00 C ATOM 822 CD PRO A1120 2.799 15.248 8.643 1.00 0.00 C ATOM 0 HA PRO A1120 2.941 16.053 5.475 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.907 17.240 7.032 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.232 17.736 7.172 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.821 15.913 8.939 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.608 17.099 9.377 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.099 14.390 9.245 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.856 15.610 9.053 1.00 0.00 H new ATOM 830 N VAL A1121 4.866 15.025 4.528 1.00 0.00 N ATOM 831 CA VAL A1121 5.986 14.382 3.863 1.00 0.00 C ATOM 832 C VAL A1121 7.308 15.060 4.245 1.00 0.00 C ATOM 833 O VAL A1121 8.379 14.472 4.130 1.00 0.00 O ATOM 834 CB VAL A1121 5.792 14.402 2.332 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.964 13.749 1.616 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.488 13.708 1.952 1.00 0.00 C ATOM 0 H VAL A1121 4.209 15.476 3.892 1.00 0.00 H new ATOM 0 HA VAL A1121 6.026 13.344 4.193 1.00 0.00 H new ATOM 0 HB VAL A1121 5.744 15.444 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.796 13.780 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.882 14.286 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.056 12.712 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.366 13.731 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.514 12.673 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.651 14.224 2.422 1.00 0.00 H new ATOM 846 N SER A1122 7.212 16.290 4.736 1.00 0.00 N ATOM 847 CA SER A1122 8.382 17.064 5.132 1.00 0.00 C ATOM 848 C SER A1122 9.185 16.366 6.234 1.00 0.00 C ATOM 849 O SER A1122 10.410 16.464 6.279 1.00 0.00 O ATOM 850 CB SER A1122 7.937 18.440 5.620 1.00 0.00 C ATOM 851 OG SER A1122 6.818 18.897 4.884 1.00 0.00 O ATOM 0 H SER A1122 6.326 16.777 4.870 1.00 0.00 H new ATOM 0 HA SER A1122 9.029 17.161 4.260 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.686 18.391 6.680 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.758 19.150 5.520 1.00 0.00 H new ATOM 0 HG SER A1122 7.120 19.483 4.159 1.00 0.00 H new ATOM 857 N PHE A1123 8.490 15.652 7.112 1.00 0.00 N ATOM 858 CA PHE A1123 9.116 15.077 8.296 1.00 0.00 C ATOM 859 C PHE A1123 9.311 13.570 8.115 1.00 0.00 C ATOM 860 O PHE A1123 9.740 12.873 9.037 1.00 0.00 O ATOM 861 CB PHE A1123 8.250 15.320 9.551 1.00 0.00 C ATOM 862 CG PHE A1123 7.892 16.763 9.862 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.523 17.651 8.862 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.892 17.218 11.175 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.171 18.949 9.153 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.542 18.521 11.475 1.00 0.00 C ATOM 867 CZ PHE A1123 7.180 19.390 10.460 1.00 0.00 C ATOM 0 H PHE A1123 7.492 15.458 7.026 1.00 0.00 H new ATOM 0 HA PHE A1123 10.083 15.562 8.428 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.324 14.756 9.440 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.775 14.906 10.412 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.512 17.317 7.835 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.169 16.544 11.972 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.888 19.623 8.358 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.551 18.861 12.500 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.906 20.409 10.690 1.00 0.00 H new ATOM 877 N VAL A1124 8.988 13.062 6.934 1.00 0.00 N ATOM 878 CA VAL A1124 9.098 11.629 6.675 1.00 0.00 C ATOM 879 C VAL A1124 9.893 11.354 5.404 1.00 0.00 C ATOM 880 O VAL A1124 10.008 12.215 4.532 1.00 0.00 O ATOM 881 CB VAL A1124 7.710 10.946 6.574 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.023 10.915 7.926 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.820 11.649 5.560 1.00 0.00 C ATOM 0 H VAL A1124 8.650 13.613 6.145 1.00 0.00 H new ATOM 0 HA VAL A1124 9.628 11.204 7.527 1.00 0.00 H new ATOM 0 HB VAL A1124 7.875 9.922 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.051 10.431 7.829 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.637 10.358 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.886 11.934 8.288 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.854 11.146 5.513 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.674 12.686 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.293 11.619 4.578 1.00 0.00 H new ATOM 893 N HIS A1125 10.455 10.158 5.300 1.00 0.00 N ATOM 894 CA HIS A1125 11.232 9.800 4.131 1.00 0.00 C ATOM 895 C HIS A1125 10.583 8.638 3.411 1.00 0.00 C ATOM 896 O HIS A1125 10.247 7.621 4.017 1.00 0.00 O ATOM 897 CB HIS A1125 12.673 9.466 4.516 1.00 0.00 C ATOM 898 CG HIS A1125 13.508 8.943 3.386 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.682 9.611 2.195 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.211 7.795 3.273 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.454 8.893 1.399 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.790 7.785 2.031 1.00 0.00 N ATOM 0 H HIS A1125 10.386 9.427 6.008 1.00 0.00 H new ATOM 0 HA HIS A1125 11.258 10.656 3.456 1.00 0.00 H new ATOM 0 HB2 HIS A1125 13.146 10.362 4.918 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.661 8.726 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.300 7.025 4.025 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.759 9.167 0.400 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.383 7.044 1.657 1.00 0.00 H new ATOM 911 N ILE A1126 10.407 8.808 2.114 1.00 0.00 N ATOM 912 CA ILE A1126 9.769 7.797 1.288 1.00 0.00 C ATOM 913 C ILE A1126 10.721 6.633 1.039 1.00 0.00 C ATOM 914 O ILE A1126 11.860 6.825 0.614 1.00 0.00 O ATOM 915 CB ILE A1126 9.271 8.374 -0.066 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.957 9.146 0.100 1.00 0.00 C ATOM 917 CG2 ILE A1126 9.086 7.275 -1.099 1.00 0.00 C ATOM 918 CD1 ILE A1126 8.105 10.526 0.700 1.00 0.00 C ATOM 0 H ILE A1126 10.699 9.643 1.606 1.00 0.00 H new ATOM 0 HA ILE A1126 8.896 7.441 1.836 1.00 0.00 H new ATOM 0 HB ILE A1126 10.039 9.064 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.480 9.238 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.285 8.562 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.737 7.711 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A1126 10.037 6.769 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.351 6.556 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A1126 7.124 10.996 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.550 10.446 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.748 11.133 0.062 1.00 0.00 H new ATOM 930 N LEU A1127 10.244 5.429 1.310 1.00 0.00 N ATOM 931 CA LEU A1127 11.053 4.232 1.157 1.00 0.00 C ATOM 932 C LEU A1127 10.548 3.385 -0.001 1.00 0.00 C ATOM 933 O LEU A1127 10.103 2.254 0.182 1.00 0.00 O ATOM 934 CB LEU A1127 11.037 3.431 2.456 1.00 0.00 C ATOM 935 CG LEU A1127 11.536 4.206 3.671 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.296 3.427 4.947 1.00 0.00 C ATOM 937 CD2 LEU A1127 13.010 4.535 3.523 1.00 0.00 C ATOM 0 H LEU A1127 9.294 5.255 1.639 1.00 0.00 H new ATOM 0 HA LEU A1127 12.079 4.526 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.019 3.091 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.652 2.540 2.329 1.00 0.00 H new ATOM 0 HG LEU A1127 10.974 5.138 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A1127 11.661 4.002 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A1127 10.228 3.242 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A1127 11.826 2.476 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.349 5.088 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.582 3.611 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A1127 13.159 5.142 2.630 1.00 0.00 H new ATOM 949 N SER A1128 10.611 3.950 -1.194 1.00 0.00 N ATOM 950 CA SER A1128 10.223 3.239 -2.400 1.00 0.00 C ATOM 951 C SER A1128 11.460 2.704 -3.115 1.00 0.00 C ATOM 952 O SER A1128 11.515 2.643 -4.344 1.00 0.00 O ATOM 953 CB SER A1128 9.425 4.169 -3.313 1.00 0.00 C ATOM 954 OG SER A1128 10.079 5.419 -3.455 1.00 0.00 O ATOM 0 H SER A1128 10.929 4.906 -1.354 1.00 0.00 H new ATOM 0 HA SER A1128 9.593 2.391 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.300 3.706 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A1128 8.427 4.320 -2.902 1.00 0.00 H new ATOM 0 HG SER A1128 9.553 5.999 -4.044 1.00 0.00 H new ATOM 960 N ASP A1129 12.458 2.331 -2.328 1.00 0.00 N ATOM 961 CA ASP A1129 13.705 1.812 -2.863 1.00 0.00 C ATOM 962 C ASP A1129 13.746 0.302 -2.711 1.00 0.00 C ATOM 963 O ASP A1129 13.407 -0.405 -3.682 1.00 0.00 O ATOM 964 CB ASP A1129 14.911 2.440 -2.153 1.00 0.00 C ATOM 965 CG ASP A1129 15.083 3.913 -2.473 1.00 0.00 C ATOM 966 OD1 ASP A1129 15.366 4.241 -3.646 1.00 0.00 O ATOM 967 OD2 ASP A1129 14.956 4.749 -1.553 1.00 0.00 O ATOM 968 OXT ASP A1129 14.113 -0.177 -1.619 1.00 0.00 O ATOM 0 H ASP A1129 12.426 2.379 -1.310 1.00 0.00 H new ATOM 0 HA ASP A1129 13.756 2.071 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A1129 14.796 2.318 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A1129 15.815 1.903 -2.440 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.792 9.612 13.878 1.00 0.00 N ATOM 975 CA CYS B1578 17.999 9.793 12.424 1.00 0.00 C ATOM 976 C CYS B1578 17.294 11.053 11.932 1.00 0.00 C ATOM 977 O CYS B1578 16.342 10.984 11.154 1.00 0.00 O ATOM 978 CB CYS B1578 17.492 8.566 11.662 1.00 0.00 C ATOM 979 SG CYS B1578 18.381 7.037 12.045 1.00 0.00 S ATOM 0 HA CYS B1578 19.067 9.905 12.238 1.00 0.00 H new ATOM 0 HB2 CYS B1578 16.435 8.424 11.886 1.00 0.00 H new ATOM 0 HB3 CYS B1578 17.568 8.759 10.592 1.00 0.00 H new ATOM 0 HG CYS B1578 17.878 6.058 11.354 1.00 0.00 H new ATOM 987 N ILE B1579 17.768 12.201 12.397 1.00 0.00 N ATOM 988 CA ILE B1579 17.222 13.484 11.985 1.00 0.00 C ATOM 989 C ILE B1579 17.855 13.937 10.671 1.00 0.00 C ATOM 990 O ILE B1579 19.056 14.205 10.605 1.00 0.00 O ATOM 991 CB ILE B1579 17.448 14.561 13.076 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.703 14.185 14.361 1.00 0.00 C ATOM 993 CG2 ILE B1579 17.006 15.930 12.587 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.202 14.046 14.184 1.00 0.00 C ATOM 0 H ILE B1579 18.536 12.268 13.065 1.00 0.00 H new ATOM 0 HA ILE B1579 16.149 13.359 11.839 1.00 0.00 H new ATOM 0 HB ILE B1579 18.515 14.607 13.292 1.00 0.00 H new ATOM 0 HG12 ILE B1579 17.103 13.244 14.739 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.901 14.943 15.119 1.00 0.00 H new ATOM 0 HG21 ILE B1579 17.175 16.668 13.371 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.580 16.203 11.702 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.945 15.902 12.337 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.746 13.779 15.137 1.00 0.00 H new ATOM 0 HD12 ILE B1579 14.787 14.992 13.836 1.00 0.00 H new ATOM 0 HD13 ILE B1579 14.993 13.267 13.451 1.00 0.00 H new ATOM 1006 N ILE B1580 17.044 14.000 9.625 1.00 0.00 N ATOM 1007 CA ILE B1580 17.513 14.397 8.303 1.00 0.00 C ATOM 1008 C ILE B1580 17.479 15.919 8.163 1.00 0.00 C ATOM 1009 O ILE B1580 16.423 16.511 7.954 1.00 0.00 O ATOM 1010 CB ILE B1580 16.668 13.697 7.197 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.295 12.351 6.821 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.485 14.563 5.957 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.411 11.395 7.985 1.00 0.00 C ATOM 0 H ILE B1580 16.049 13.779 9.666 1.00 0.00 H new ATOM 0 HA ILE B1580 18.548 14.077 8.180 1.00 0.00 H new ATOM 0 HB ILE B1580 15.675 13.531 7.614 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.696 11.886 6.038 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.287 12.525 6.404 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.889 14.023 5.221 1.00 0.00 H new ATOM 0 HG22 ILE B1580 15.975 15.487 6.230 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.460 14.799 5.531 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.863 10.463 7.647 1.00 0.00 H new ATOM 0 HD12 ILE B1580 18.034 11.840 8.761 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.419 11.191 8.389 1.00 0.00 H new ATOM 1025 N SER B1581 18.657 16.533 8.280 1.00 0.00 N ATOM 1026 CA SER B1581 18.801 17.988 8.289 1.00 0.00 C ATOM 1027 C SER B1581 18.347 18.570 9.636 1.00 0.00 C ATOM 1028 O SER B1581 18.696 18.036 10.694 1.00 0.00 O ATOM 1029 CB SER B1581 18.043 18.618 7.110 1.00 0.00 C ATOM 1030 OG SER B1581 18.528 18.118 5.872 1.00 0.00 O ATOM 0 H SER B1581 19.541 16.033 8.372 1.00 0.00 H new ATOM 0 HA SER B1581 19.856 18.233 8.166 1.00 0.00 H new ATOM 0 HB2 SER B1581 16.978 18.405 7.201 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.154 19.702 7.138 1.00 0.00 H new ATOM 0 HG SER B1581 18.031 18.531 5.135 1.00 0.00 H new ATOM 1036 N ALA B1582 17.604 19.672 9.606 1.00 0.00 N ATOM 1037 CA ALA B1582 16.994 20.218 10.817 1.00 0.00 C ATOM 1038 C ALA B1582 15.498 20.352 10.609 1.00 0.00 C ATOM 1039 O ALA B1582 15.050 20.428 9.463 1.00 0.00 O ATOM 1040 CB ALA B1582 17.613 21.555 11.190 1.00 0.00 C ATOM 0 H ALA B1582 17.409 20.205 8.758 1.00 0.00 H new ATOM 0 HA ALA B1582 17.180 19.534 11.645 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.139 21.936 12.095 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.681 21.425 11.367 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.464 22.265 10.376 1.00 0.00 H new ATOM 1046 N MET B1583 14.741 20.372 11.712 1.00 0.00 N ATOM 1047 CA MET B1583 13.282 20.260 11.670 1.00 0.00 C ATOM 1048 C MET B1583 12.666 21.066 10.542 1.00 0.00 C ATOM 1049 O MET B1583 12.824 22.288 10.464 1.00 0.00 O ATOM 1050 CB MET B1583 12.651 20.668 13.008 1.00 0.00 C ATOM 1051 CG MET B1583 11.139 20.829 12.937 1.00 0.00 C ATOM 1052 SD MET B1583 10.356 20.819 14.559 1.00 0.00 S ATOM 1053 CE MET B1583 10.628 19.115 15.031 1.00 0.00 C ATOM 0 H MET B1583 15.122 20.466 12.654 1.00 0.00 H new ATOM 0 HA MET B1583 13.066 19.208 11.481 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.894 19.918 13.760 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.094 21.607 13.339 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.902 21.764 12.430 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.721 20.024 12.332 1.00 0.00 H new ATOM 0 HE1 MET B1583 9.869 18.811 15.752 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.565 18.479 14.148 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.616 19.015 15.481 1.00 0.00 H new ATOM 1063 N PRO B1584 11.968 20.370 9.639 1.00 0.00 N ATOM 1064 CA PRO B1584 11.242 21.004 8.560 1.00 0.00 C ATOM 1065 C PRO B1584 10.016 21.707 9.113 1.00 0.00 C ATOM 1066 O PRO B1584 9.671 21.543 10.285 1.00 0.00 O ATOM 1067 CB PRO B1584 10.843 19.840 7.653 1.00 0.00 C ATOM 1068 CG PRO B1584 10.788 18.667 8.558 1.00 0.00 C ATOM 1069 CD PRO B1584 11.829 18.908 9.610 1.00 0.00 C ATOM 0 HA PRO B1584 11.823 21.759 8.030 1.00 0.00 H new ATOM 0 HB2 PRO B1584 9.879 20.020 7.177 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.570 19.692 6.854 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.799 18.564 9.004 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.989 17.744 8.014 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.517 18.517 10.578 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.772 18.422 9.359 1.00 0.00 H new ATOM 1077 N THR B1585 9.342 22.464 8.289 1.00 0.00 N ATOM 1078 CA THR B1585 8.222 23.236 8.766 1.00 0.00 C ATOM 1079 C THR B1585 6.920 22.587 8.351 1.00 0.00 C ATOM 1080 O THR B1585 6.775 22.148 7.209 1.00 0.00 O ATOM 1081 CB THR B1585 8.268 24.678 8.232 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.573 25.236 8.449 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.222 25.546 8.917 1.00 0.00 C ATOM 0 H THR B1585 9.544 22.564 7.294 1.00 0.00 H new ATOM 0 HA THR B1585 8.283 23.267 9.854 1.00 0.00 H new ATOM 0 HB THR B1585 8.052 24.654 7.164 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.598 26.154 8.106 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.275 26.560 8.522 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.230 25.136 8.730 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.411 25.565 9.990 1.00 0.00 H new ATOM 1091 N LYS B1586 5.996 22.493 9.295 1.00 0.00 N ATOM 1092 CA LYS B1586 4.655 22.041 9.004 1.00 0.00 C ATOM 1093 C LYS B1586 4.039 23.015 8.018 1.00 0.00 C ATOM 1094 O LYS B1586 3.587 24.099 8.391 1.00 0.00 O ATOM 1095 CB LYS B1586 3.829 21.979 10.279 1.00 0.00 C ATOM 1096 CG LYS B1586 2.552 21.181 10.136 1.00 0.00 C ATOM 1097 CD LYS B1586 1.660 21.358 11.347 1.00 0.00 C ATOM 1098 CE LYS B1586 2.354 20.918 12.627 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.516 21.161 13.830 1.00 0.00 N ATOM 0 H LYS B1586 6.158 22.727 10.275 1.00 0.00 H new ATOM 0 HA LYS B1586 4.678 21.039 8.577 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.434 21.541 11.073 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.580 22.994 10.590 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.020 21.498 9.239 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.792 20.125 10.008 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.367 22.404 11.433 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.745 20.781 11.212 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.595 19.857 12.562 1.00 0.00 H new ATOM 0 HE3 LYS B1586 3.298 21.453 12.729 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 2.028 20.846 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 1.307 22.177 13.908 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.626 20.630 13.746 1.00 0.00 H new ATOM 1113 N SER B1587 4.027 22.612 6.766 1.00 0.00 N ATOM 1114 CA SER B1587 3.760 23.515 5.654 1.00 0.00 C ATOM 1115 C SER B1587 2.294 23.914 5.555 1.00 0.00 C ATOM 1116 O SER B1587 1.902 24.607 4.613 1.00 0.00 O ATOM 1117 CB SER B1587 4.209 22.852 4.355 1.00 0.00 C ATOM 1118 OG SER B1587 3.701 21.532 4.260 1.00 0.00 O ATOM 0 H SER B1587 4.202 21.648 6.484 1.00 0.00 H new ATOM 0 HA SER B1587 4.322 24.432 5.831 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.866 23.440 3.504 1.00 0.00 H new ATOM 0 HB3 SER B1587 5.298 22.831 4.310 1.00 0.00 H new ATOM 0 HG SER B1587 3.938 21.152 3.388 1.00 0.00 H new ATOM 1124 N SER B1588 1.508 23.502 6.548 1.00 0.00 N ATOM 1125 CA SER B1588 0.066 23.687 6.540 1.00 0.00 C ATOM 1126 C SER B1588 -0.547 22.837 5.444 1.00 0.00 C ATOM 1127 O SER B1588 -0.323 23.064 4.252 1.00 0.00 O ATOM 1128 CB SER B1588 -0.310 25.158 6.355 1.00 0.00 C ATOM 1129 OG SER B1588 -1.710 25.349 6.424 1.00 0.00 O ATOM 0 H SER B1588 1.859 23.030 7.381 1.00 0.00 H new ATOM 0 HA SER B1588 -0.328 23.371 7.506 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.178 25.758 7.123 1.00 0.00 H new ATOM 0 HB3 SER B1588 0.059 25.510 5.392 1.00 0.00 H new ATOM 0 HG SER B1588 -1.917 26.299 6.304 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.289 21.835 5.857 1.00 0.00 N ATOM 1136 CA ARG B1589 -1.923 20.921 4.933 1.00 0.00 C ATOM 1137 C ARG B1589 -2.840 21.669 3.981 1.00 0.00 C ATOM 1138 O ARG B1589 -3.745 22.395 4.400 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.676 19.866 5.722 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.349 18.809 4.881 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.817 17.680 5.767 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.815 18.132 6.746 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.915 17.448 7.070 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.226 16.336 6.427 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.731 17.903 8.013 1.00 0.00 N ATOM 0 H ARG B1589 -1.470 21.630 6.840 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.165 20.429 4.323 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -1.981 19.379 6.406 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.431 20.360 6.333 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.195 19.240 4.346 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.656 18.432 4.129 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -4.244 16.888 5.152 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.963 17.251 6.291 1.00 0.00 H new ATOM 0 HE ARG B1589 -4.657 19.027 7.209 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.624 15.995 5.678 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -7.068 15.819 6.680 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -6.519 18.778 8.493 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.570 17.378 8.258 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.599 21.483 2.695 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.302 22.233 1.672 1.00 0.00 C ATOM 1161 C LYS B1590 -4.742 21.768 1.591 1.00 0.00 C ATOM 1162 O LYS B1590 -5.624 22.506 1.159 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.608 22.089 0.307 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.208 22.693 0.253 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.182 21.835 0.979 1.00 0.00 C ATOM 1166 CE LYS B1590 1.166 22.527 1.068 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.110 23.759 1.900 1.00 0.00 N ATOM 0 H LYS B1590 -1.918 20.815 2.334 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.286 23.289 1.943 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.546 21.031 0.053 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.226 22.564 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.907 22.814 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.226 23.688 0.697 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.542 21.608 1.983 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.069 20.884 0.459 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.899 21.839 1.489 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.508 22.783 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.075 24.047 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 0.654 24.522 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 0.562 23.570 2.763 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.974 20.544 2.031 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.309 19.982 2.049 1.00 0.00 C ATOM 1183 C ALA B1591 -6.892 19.989 3.464 1.00 0.00 C ATOM 1184 O ALA B1591 -7.703 19.129 3.815 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.291 18.574 1.472 1.00 0.00 C ATOM 0 H ALA B1591 -4.249 19.918 2.382 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.953 20.603 1.427 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.299 18.160 1.490 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.931 18.607 0.444 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.630 17.945 2.068 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.482 20.959 4.281 1.00 0.00 N ATOM 1192 CA LYS B1592 -7.057 21.102 5.614 1.00 0.00 C ATOM 1193 C LYS B1592 -8.515 21.516 5.526 1.00 0.00 C ATOM 1194 O LYS B1592 -8.945 22.140 4.555 1.00 0.00 O ATOM 1195 CB LYS B1592 -6.304 22.130 6.470 1.00 0.00 C ATOM 1196 CG LYS B1592 -5.011 21.610 7.067 1.00 0.00 C ATOM 1197 CD LYS B1592 -4.502 22.494 8.196 1.00 0.00 C ATOM 1198 CE LYS B1592 -4.143 23.885 7.707 1.00 0.00 C ATOM 1199 NZ LYS B1592 -3.484 24.694 8.765 1.00 0.00 N ATOM 0 H LYS B1592 -5.766 21.646 4.047 1.00 0.00 H new ATOM 0 HA LYS B1592 -6.970 20.127 6.092 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -6.083 23.005 5.858 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -6.957 22.462 7.277 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -5.167 20.599 7.442 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -4.252 21.547 6.287 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -5.264 22.567 8.972 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -3.626 22.032 8.652 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -3.480 23.807 6.845 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -5.045 24.395 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -2.658 25.183 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -4.156 25.396 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -3.175 24.070 9.538 1.00 0.00 H new ATOM 1213 N LYS B1593 -9.267 21.151 6.545 1.00 0.00 N ATOM 1214 CA LYS B1593 -10.637 21.591 6.679 1.00 0.00 C ATOM 1215 C LYS B1593 -10.686 22.665 7.752 1.00 0.00 C ATOM 1216 O LYS B1593 -10.138 22.470 8.837 1.00 0.00 O ATOM 1217 CB LYS B1593 -11.560 20.415 7.032 1.00 0.00 C ATOM 1218 CG LYS B1593 -12.008 19.586 5.828 1.00 0.00 C ATOM 1219 CD LYS B1593 -10.866 18.808 5.179 1.00 0.00 C ATOM 1220 CE LYS B1593 -10.334 17.710 6.089 1.00 0.00 C ATOM 1221 NZ LYS B1593 -9.364 16.823 5.385 1.00 0.00 N ATOM 0 H LYS B1593 -8.946 20.544 7.299 1.00 0.00 H new ATOM 0 HA LYS B1593 -10.991 21.999 5.732 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -11.045 19.762 7.737 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -12.443 20.801 7.542 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -12.783 18.887 6.144 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -12.457 20.247 5.086 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -11.213 18.368 4.244 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -10.057 19.494 4.927 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -9.851 18.160 6.956 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -11.166 17.113 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -9.013 16.100 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -9.836 16.360 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -8.565 17.390 5.036 1.00 0.00 H new ATOM 1235 N PRO B1594 -11.293 23.825 7.437 1.00 0.00 N ATOM 1236 CA PRO B1594 -11.344 24.981 8.342 1.00 0.00 C ATOM 1237 C PRO B1594 -11.808 24.618 9.747 1.00 0.00 C ATOM 1238 O PRO B1594 -13.005 24.502 10.013 1.00 0.00 O ATOM 1239 CB PRO B1594 -12.354 25.909 7.667 1.00 0.00 C ATOM 1240 CG PRO B1594 -12.264 25.574 6.221 1.00 0.00 C ATOM 1241 CD PRO B1594 -11.977 24.100 6.159 1.00 0.00 C ATOM 0 HA PRO B1594 -10.358 25.424 8.485 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -13.361 25.744 8.050 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -12.112 26.956 7.847 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -13.194 25.813 5.706 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -11.474 26.147 5.735 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -12.893 23.517 6.061 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -11.347 23.850 5.305 1.00 0.00 H new ATOM 1249 N ALA B1595 -10.847 24.416 10.630 1.00 0.00 N ATOM 1250 CA ALA B1595 -11.123 24.092 12.016 1.00 0.00 C ATOM 1251 C ALA B1595 -10.078 24.734 12.909 1.00 0.00 C ATOM 1252 O ALA B1595 -9.214 25.476 12.434 1.00 0.00 O ATOM 1253 CB ALA B1595 -11.143 22.583 12.221 1.00 0.00 C ATOM 0 H ALA B1595 -9.854 24.472 10.406 1.00 0.00 H new ATOM 0 HA ALA B1595 -12.106 24.483 12.280 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -11.352 22.361 13.267 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -11.918 22.141 11.595 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -10.174 22.166 11.948 1.00 0.00 H new ATOM 1259 N GLN B1596 -10.150 24.445 14.193 1.00 0.00 N ATOM 1260 CA GLN B1596 -9.229 25.020 15.146 1.00 0.00 C ATOM 1261 C GLN B1596 -8.319 23.940 15.710 1.00 0.00 C ATOM 1262 O GLN B1596 -7.198 23.777 15.190 1.00 0.00 O ATOM 1263 CB GLN B1596 -10.003 25.712 16.265 1.00 0.00 C ATOM 1264 CG GLN B1596 -9.595 27.161 16.477 1.00 0.00 C ATOM 1265 CD GLN B1596 -8.149 27.298 16.900 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -7.836 27.289 18.090 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -7.258 27.426 15.930 1.00 0.00 N ATOM 1268 OXT GLN B1596 -8.738 23.245 16.659 1.00 0.00 O ATOM 0 H GLN B1596 -10.840 23.813 14.599 1.00 0.00 H new ATOM 0 HA GLN B1596 -8.610 25.762 14.642 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -11.068 25.672 16.038 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -9.854 25.161 17.194 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -9.755 27.719 15.555 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -10.237 27.609 17.236 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -7.561 27.428 14.956 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -6.268 27.522 16.156 1.00 0.00 H new TER 1277 GLN B1596