USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -133:sc= 0.684 (180deg=0.0685) USER MOD Set 1.2: A 87 CYS SG : rot 180:sc= 0.297 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 45:sc= 0.209 USER MOD Single : A 13 CYS SG : rot 3:sc= 0.413 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00396) USER MOD Single : A 18 LYS NZ :NH3+ -115:sc= 0.573 (180deg=0) USER MOD Single : A 19 TYR OH : rot -169:sc= 0.124 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 2.05 (180deg=0.504!) USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= 0.116 (180deg=-1.24!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.0765 USER MOD Single : A 37 CYS SG : rot 83:sc= 0.873 USER MOD Single : A 41 THR OG1 : rot 156:sc= 1.28 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 41:sc= 0.0142 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 59 SER OG : rot 16:sc= 1.51 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.11) USER MOD Single : A 66 TYR OH : rot -19:sc= 0.123 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0552 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 3.33 (180deg=3.25) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00461) USER MOD Single : A 78 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= 0.0328! (180deg=-0.679!) USER MOD Single : A 86 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.659 1.244 -0.986 1.00 0.00 N ATOM 2 CA MET A 1 1.956 0.619 -0.700 1.00 0.00 C ATOM 3 C MET A 1 3.017 1.716 -0.771 1.00 0.00 C ATOM 4 O MET A 1 2.747 2.811 -0.284 1.00 0.00 O ATOM 5 CB MET A 1 2.165 -0.645 -1.558 1.00 0.00 C ATOM 6 CG MET A 1 2.309 -0.467 -3.074 1.00 0.00 C ATOM 7 SD MET A 1 2.634 -2.037 -3.911 1.00 0.00 S ATOM 8 CE MET A 1 3.021 -1.430 -5.573 1.00 0.00 C ATOM 0 H1 MET A 1 -0.040 0.932 -0.281 1.00 0.00 H new ATOM 0 H2 MET A 1 0.755 2.279 -0.944 1.00 0.00 H new ATOM 0 H3 MET A 1 0.341 0.965 -1.936 1.00 0.00 H new ATOM 0 HA MET A 1 2.024 0.210 0.308 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.059 -1.152 -1.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.324 -1.314 -1.378 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.398 -0.024 -3.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.121 0.230 -3.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.248 -2.274 -6.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.165 -0.885 -5.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.884 -0.766 -5.526 1.00 0.00 H new ATOM 20 N ALA A 2 4.133 1.538 -1.483 1.00 0.00 N ATOM 21 CA ALA A 2 4.711 2.656 -2.233 1.00 0.00 C ATOM 22 C ALA A 2 3.664 3.360 -3.139 1.00 0.00 C ATOM 23 O ALA A 2 2.585 2.812 -3.401 1.00 0.00 O ATOM 24 CB ALA A 2 5.902 2.138 -3.053 1.00 0.00 C ATOM 0 H ALA A 2 4.642 0.657 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 2 5.053 3.412 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.341 2.961 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.651 1.717 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.560 1.367 -3.744 1.00 0.00 H new ATOM 30 N LEU A 3 3.979 4.564 -3.630 1.00 0.00 N ATOM 31 CA LEU A 3 3.211 5.285 -4.634 1.00 0.00 C ATOM 32 C LEU A 3 3.830 5.049 -6.019 1.00 0.00 C ATOM 33 O LEU A 3 4.979 4.634 -6.133 1.00 0.00 O ATOM 34 CB LEU A 3 3.230 6.793 -4.295 1.00 0.00 C ATOM 35 CG LEU A 3 1.858 7.487 -4.160 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.868 7.151 -5.276 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.197 7.133 -2.829 1.00 0.00 C ATOM 0 H LEU A 3 4.807 5.076 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 3 2.181 4.929 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.773 6.925 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.799 7.309 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 3 2.084 8.551 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.069 7.681 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.285 7.455 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.681 6.077 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.232 7.634 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.051 6.054 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.836 7.458 -2.008 1.00 0.00 H new ATOM 49 N ALA A 4 3.084 5.404 -7.059 1.00 0.00 N ATOM 50 CA ALA A 4 3.484 5.283 -8.461 1.00 0.00 C ATOM 51 C ALA A 4 3.221 6.587 -9.239 1.00 0.00 C ATOM 52 O ALA A 4 2.076 7.053 -9.276 1.00 0.00 O ATOM 53 CB ALA A 4 2.727 4.080 -9.042 1.00 0.00 C ATOM 0 H ALA A 4 2.150 5.798 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 4 4.558 5.116 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.996 3.952 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.993 3.180 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.654 4.252 -8.962 1.00 0.00 H new ATOM 59 N VAL A 5 4.243 7.177 -9.874 1.00 0.00 N ATOM 60 CA VAL A 5 4.148 8.471 -10.577 1.00 0.00 C ATOM 61 C VAL A 5 4.732 8.381 -11.989 1.00 0.00 C ATOM 62 O VAL A 5 5.671 7.639 -12.261 1.00 0.00 O ATOM 63 CB VAL A 5 4.817 9.614 -9.784 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.529 11.038 -10.285 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.449 9.613 -8.294 1.00 0.00 C ATOM 0 H VAL A 5 5.175 6.765 -9.916 1.00 0.00 H new ATOM 0 HA VAL A 5 3.087 8.707 -10.659 1.00 0.00 H new ATOM 0 HB VAL A 5 5.871 9.387 -9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.050 11.758 -9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.876 11.139 -11.313 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.457 11.228 -10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.952 10.441 -7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.370 9.725 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.763 8.672 -7.842 1.00 0.00 H new ATOM 75 N ARG A 6 4.164 9.154 -12.904 1.00 0.00 N ATOM 76 CA ARG A 6 4.484 9.249 -14.333 1.00 0.00 C ATOM 77 C ARG A 6 4.634 10.698 -14.792 1.00 0.00 C ATOM 78 O ARG A 6 4.040 11.593 -14.193 1.00 0.00 O ATOM 79 CB ARG A 6 3.363 8.550 -15.131 1.00 0.00 C ATOM 80 CG ARG A 6 3.890 7.511 -16.120 1.00 0.00 C ATOM 81 CD ARG A 6 4.669 6.357 -15.479 1.00 0.00 C ATOM 82 NE ARG A 6 3.929 5.715 -14.381 1.00 0.00 N ATOM 83 CZ ARG A 6 4.474 5.098 -13.352 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.671 4.599 -13.361 1.00 0.00 N ATOM 85 NH2 ARG A 6 3.809 4.986 -12.248 1.00 0.00 N ATOM 0 H ARG A 6 3.404 9.785 -12.651 1.00 0.00 H new ATOM 0 HA ARG A 6 5.442 8.761 -14.510 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.678 8.066 -14.435 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.789 9.301 -15.674 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.048 7.099 -16.677 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.536 8.011 -16.842 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.900 5.612 -16.241 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.620 6.732 -15.101 1.00 0.00 H new ATOM 0 HE ARG A 6 2.910 5.750 -14.420 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.248 4.673 -14.199 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.035 4.133 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.868 5.374 -12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.225 4.510 -11.448 1.00 0.00 H new ATOM 99 N VAL A 7 5.336 10.903 -15.908 1.00 0.00 N ATOM 100 CA VAL A 7 5.549 12.185 -16.594 1.00 0.00 C ATOM 101 C VAL A 7 5.526 11.943 -18.105 1.00 0.00 C ATOM 102 O VAL A 7 6.486 11.400 -18.645 1.00 0.00 O ATOM 103 CB VAL A 7 6.889 12.850 -16.203 1.00 0.00 C ATOM 104 CG1 VAL A 7 6.977 14.270 -16.776 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.139 12.935 -14.695 1.00 0.00 C ATOM 0 H VAL A 7 5.801 10.133 -16.389 1.00 0.00 H new ATOM 0 HA VAL A 7 4.751 12.863 -16.292 1.00 0.00 H new ATOM 0 HB VAL A 7 7.653 12.198 -16.627 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.927 14.720 -16.489 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.909 14.229 -17.863 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.158 14.872 -16.384 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.100 13.415 -14.512 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.347 13.520 -14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.148 11.931 -14.271 1.00 0.00 H new ATOM 115 N VAL A 8 4.446 12.280 -18.806 1.00 0.00 N ATOM 116 CA VAL A 8 4.533 12.389 -20.281 1.00 0.00 C ATOM 117 C VAL A 8 5.403 13.595 -20.631 1.00 0.00 C ATOM 118 O VAL A 8 5.284 14.630 -19.976 1.00 0.00 O ATOM 119 CB VAL A 8 3.149 12.488 -20.953 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.204 12.871 -22.437 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.434 11.133 -20.909 1.00 0.00 C ATOM 0 H VAL A 8 3.528 12.478 -18.407 1.00 0.00 H new ATOM 0 HA VAL A 8 4.986 11.476 -20.668 1.00 0.00 H new ATOM 0 HB VAL A 8 2.629 13.265 -20.393 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.192 12.920 -22.838 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.684 13.844 -22.544 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.775 12.122 -22.985 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.459 11.221 -21.388 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.031 10.389 -21.436 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.303 10.824 -19.872 1.00 0.00 H new ATOM 131 N TYR A 9 6.278 13.480 -21.640 1.00 0.00 N ATOM 132 CA TYR A 9 6.902 14.624 -22.320 1.00 0.00 C ATOM 133 C TYR A 9 7.418 14.211 -23.710 1.00 0.00 C ATOM 134 O TYR A 9 7.651 13.028 -23.937 1.00 0.00 O ATOM 135 CB TYR A 9 8.063 15.150 -21.463 1.00 0.00 C ATOM 136 CG TYR A 9 8.762 16.388 -21.980 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.007 17.539 -22.266 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.160 16.398 -22.158 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.642 18.702 -22.731 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.800 17.563 -22.624 1.00 0.00 C ATOM 141 CZ TYR A 9 10.039 18.716 -22.915 1.00 0.00 C ATOM 142 OH TYR A 9 10.644 19.842 -23.374 1.00 0.00 O ATOM 0 H TYR A 9 6.576 12.578 -22.012 1.00 0.00 H new ATOM 0 HA TYR A 9 6.158 15.410 -22.451 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.683 15.362 -20.463 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.802 14.355 -21.361 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.936 17.529 -22.128 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.740 15.514 -21.937 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.060 19.585 -22.948 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.872 17.574 -22.759 1.00 0.00 H new ATOM 0 HH TYR A 9 11.609 19.689 -23.445 1.00 0.00 H new ATOM 152 N SER A 10 7.696 15.148 -24.620 1.00 0.00 N ATOM 153 CA SER A 10 8.446 14.869 -25.856 1.00 0.00 C ATOM 154 C SER A 10 9.948 14.781 -25.589 1.00 0.00 C ATOM 155 O SER A 10 10.572 15.782 -25.237 1.00 0.00 O ATOM 156 CB SER A 10 8.209 15.938 -26.923 1.00 0.00 C ATOM 157 OG SER A 10 8.349 17.241 -26.394 1.00 0.00 O ATOM 0 H SER A 10 7.409 16.122 -24.525 1.00 0.00 H new ATOM 0 HA SER A 10 8.078 13.910 -26.221 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.916 15.799 -27.741 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.209 15.820 -27.341 1.00 0.00 H new ATOM 0 HG SER A 10 9.150 17.281 -25.831 1.00 0.00 H new ATOM 163 N GLY A 11 10.538 13.604 -25.802 1.00 0.00 N ATOM 164 CA GLY A 11 11.961 13.294 -25.576 1.00 0.00 C ATOM 165 C GLY A 11 12.965 13.952 -26.543 1.00 0.00 C ATOM 166 O GLY A 11 13.878 13.287 -27.027 1.00 0.00 O ATOM 0 H GLY A 11 10.018 12.800 -26.153 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.219 13.592 -24.560 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.089 12.213 -25.633 1.00 0.00 H new ATOM 170 N ALA A 12 12.821 15.250 -26.823 1.00 0.00 N ATOM 171 CA ALA A 12 13.586 16.065 -27.779 1.00 0.00 C ATOM 172 C ALA A 12 15.050 16.377 -27.356 1.00 0.00 C ATOM 173 O ALA A 12 15.537 17.493 -27.528 1.00 0.00 O ATOM 174 CB ALA A 12 12.766 17.341 -28.028 1.00 0.00 C ATOM 0 H ALA A 12 12.109 15.806 -26.350 1.00 0.00 H new ATOM 0 HA ALA A 12 13.722 15.490 -28.695 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.295 17.981 -28.734 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.793 17.074 -28.439 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.628 17.874 -27.087 1.00 0.00 H new ATOM 180 N CYS A 13 15.761 15.382 -26.814 1.00 0.00 N ATOM 181 CA CYS A 13 17.034 15.514 -26.093 1.00 0.00 C ATOM 182 C CYS A 13 16.949 16.472 -24.878 1.00 0.00 C ATOM 183 O CYS A 13 15.872 16.943 -24.514 1.00 0.00 O ATOM 184 CB CYS A 13 18.155 15.866 -27.086 1.00 0.00 C ATOM 185 SG CYS A 13 19.764 15.305 -26.451 1.00 0.00 S ATOM 0 H CYS A 13 15.449 14.413 -26.869 1.00 0.00 H new ATOM 0 HA CYS A 13 17.279 14.551 -25.645 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.955 15.399 -28.051 1.00 0.00 H new ATOM 0 HB3 CYS A 13 18.178 16.943 -27.252 1.00 0.00 H new ATOM 0 HG CYS A 13 19.592 14.677 -25.326 1.00 0.00 H new ATOM 191 N GLY A 14 18.057 16.653 -24.148 1.00 0.00 N ATOM 192 CA GLY A 14 18.196 17.466 -22.921 1.00 0.00 C ATOM 193 C GLY A 14 17.393 17.012 -21.685 1.00 0.00 C ATOM 194 O GLY A 14 17.794 17.273 -20.553 1.00 0.00 O ATOM 0 H GLY A 14 18.938 16.211 -24.410 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.251 17.491 -22.649 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.904 18.489 -23.158 1.00 0.00 H new ATOM 198 N TYR A 15 16.277 16.306 -21.876 1.00 0.00 N ATOM 199 CA TYR A 15 15.287 16.003 -20.847 1.00 0.00 C ATOM 200 C TYR A 15 15.825 15.172 -19.675 1.00 0.00 C ATOM 201 O TYR A 15 15.438 15.437 -18.543 1.00 0.00 O ATOM 202 CB TYR A 15 14.058 15.339 -21.491 1.00 0.00 C ATOM 203 CG TYR A 15 14.286 13.944 -22.047 1.00 0.00 C ATOM 204 CD1 TYR A 15 14.790 13.782 -23.351 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.981 12.809 -21.268 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.016 12.493 -23.868 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.198 11.516 -21.785 1.00 0.00 C ATOM 208 CZ TYR A 15 14.714 11.358 -23.091 1.00 0.00 C ATOM 209 OH TYR A 15 14.914 10.120 -23.609 1.00 0.00 O ATOM 0 H TYR A 15 16.031 15.916 -22.786 1.00 0.00 H new ATOM 0 HA TYR A 15 15.001 16.955 -20.400 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.262 15.290 -20.748 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.702 15.979 -22.298 1.00 0.00 H new ATOM 0 HD1 TYR A 15 15.004 14.650 -23.957 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.580 12.931 -20.273 1.00 0.00 H new ATOM 0 HE1 TYR A 15 15.422 12.374 -24.862 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.970 10.648 -21.184 1.00 0.00 H new ATOM 0 HH TYR A 15 14.658 9.443 -22.948 1.00 0.00 H new ATOM 219 N LYS A 16 16.711 14.191 -19.900 1.00 0.00 N ATOM 220 CA LYS A 16 17.166 13.223 -18.877 1.00 0.00 C ATOM 221 C LYS A 16 17.664 13.868 -17.558 1.00 0.00 C ATOM 222 O LYS A 16 17.126 13.509 -16.511 1.00 0.00 O ATOM 223 CB LYS A 16 18.136 12.203 -19.519 1.00 0.00 C ATOM 224 CG LYS A 16 18.008 10.768 -18.971 1.00 0.00 C ATOM 225 CD LYS A 16 18.626 10.510 -17.585 1.00 0.00 C ATOM 226 CE LYS A 16 20.158 10.635 -17.545 1.00 0.00 C ATOM 227 NZ LYS A 16 20.838 9.570 -18.329 1.00 0.00 N ATOM 0 H LYS A 16 17.142 14.041 -20.812 1.00 0.00 H new ATOM 0 HA LYS A 16 16.296 12.665 -18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.964 12.184 -20.595 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.159 12.547 -19.366 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.949 10.512 -18.927 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.471 10.087 -19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.197 11.213 -16.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.346 9.510 -17.255 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.450 11.610 -17.934 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.496 10.591 -16.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.869 9.679 -18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.557 8.637 -17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.565 9.648 -19.330 1.00 0.00 H new ATOM 241 N PRO A 17 18.640 14.801 -17.546 1.00 0.00 N ATOM 242 CA PRO A 17 19.022 15.522 -16.324 1.00 0.00 C ATOM 243 C PRO A 17 17.921 16.446 -15.780 1.00 0.00 C ATOM 244 O PRO A 17 17.754 16.498 -14.566 1.00 0.00 O ATOM 245 CB PRO A 17 20.293 16.300 -16.680 1.00 0.00 C ATOM 246 CG PRO A 17 20.182 16.495 -18.191 1.00 0.00 C ATOM 247 CD PRO A 17 19.511 15.200 -18.645 1.00 0.00 C ATOM 0 HA PRO A 17 19.190 14.815 -15.512 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.340 17.254 -16.155 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.192 15.744 -16.412 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.585 17.371 -18.444 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.159 16.630 -18.655 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.940 15.355 -19.561 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.252 14.429 -18.858 1.00 0.00 H new ATOM 255 N LYS A 18 17.112 17.114 -16.621 1.00 0.00 N ATOM 256 CA LYS A 18 15.963 17.910 -16.132 1.00 0.00 C ATOM 257 C LYS A 18 14.939 17.041 -15.382 1.00 0.00 C ATOM 258 O LYS A 18 14.429 17.437 -14.338 1.00 0.00 O ATOM 259 CB LYS A 18 15.333 18.707 -17.291 1.00 0.00 C ATOM 260 CG LYS A 18 14.312 19.738 -16.776 1.00 0.00 C ATOM 261 CD LYS A 18 13.808 20.660 -17.899 1.00 0.00 C ATOM 262 CE LYS A 18 12.888 21.773 -17.370 1.00 0.00 C ATOM 263 NZ LYS A 18 11.575 21.256 -16.906 1.00 0.00 N ATOM 0 H LYS A 18 17.227 17.122 -17.634 1.00 0.00 H new ATOM 0 HA LYS A 18 16.330 18.630 -15.401 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.116 19.217 -17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.843 18.021 -17.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.466 19.217 -16.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.769 20.340 -15.991 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.661 21.108 -18.409 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.270 20.067 -18.639 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.383 22.288 -16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.727 22.510 -18.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.819 21.633 -17.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.574 20.217 -16.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.411 21.556 -15.924 1.00 0.00 H new ATOM 277 N TYR A 19 14.659 15.845 -15.899 1.00 0.00 N ATOM 278 CA TYR A 19 13.850 14.805 -15.258 1.00 0.00 C ATOM 279 C TYR A 19 14.432 14.412 -13.898 1.00 0.00 C ATOM 280 O TYR A 19 13.742 14.498 -12.884 1.00 0.00 O ATOM 281 CB TYR A 19 13.765 13.575 -16.176 1.00 0.00 C ATOM 282 CG TYR A 19 12.490 13.491 -16.980 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.192 14.460 -17.959 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.595 12.436 -16.730 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.998 14.369 -18.701 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.408 12.345 -17.470 1.00 0.00 C ATOM 287 CZ TYR A 19 10.107 13.304 -18.454 1.00 0.00 C ATOM 288 OH TYR A 19 8.935 13.205 -19.120 1.00 0.00 O ATOM 0 H TYR A 19 15.004 15.561 -16.816 1.00 0.00 H new ATOM 0 HA TYR A 19 12.848 15.201 -15.091 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.613 13.587 -16.861 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.858 12.675 -15.569 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.880 15.273 -18.140 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.821 11.700 -15.972 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.767 15.109 -19.453 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.720 11.533 -17.283 1.00 0.00 H new ATOM 0 HH TYR A 19 8.375 12.521 -18.697 1.00 0.00 H new ATOM 298 N LEU A 20 15.707 14.004 -13.878 1.00 0.00 N ATOM 299 CA LEU A 20 16.428 13.657 -12.651 1.00 0.00 C ATOM 300 C LEU A 20 16.385 14.777 -11.616 1.00 0.00 C ATOM 301 O LEU A 20 16.193 14.489 -10.454 1.00 0.00 O ATOM 302 CB LEU A 20 17.891 13.346 -12.962 1.00 0.00 C ATOM 303 CG LEU A 20 18.149 11.990 -13.640 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.584 11.920 -14.172 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.963 10.829 -12.662 1.00 0.00 C ATOM 0 H LEU A 20 16.271 13.905 -14.722 1.00 0.00 H new ATOM 0 HA LEU A 20 15.929 12.781 -12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.283 14.134 -13.604 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.458 13.381 -12.032 1.00 0.00 H new ATOM 0 HG LEU A 20 17.430 11.905 -14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.749 10.954 -14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.741 12.715 -14.901 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.285 12.041 -13.346 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.153 9.887 -13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.661 10.937 -11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.942 10.835 -12.281 1.00 0.00 H new ATOM 317 N GLN A 21 16.526 16.039 -12.001 1.00 0.00 N ATOM 318 CA GLN A 21 16.590 17.175 -11.088 1.00 0.00 C ATOM 319 C GLN A 21 15.309 17.308 -10.248 1.00 0.00 C ATOM 320 O GLN A 21 15.392 17.625 -9.061 1.00 0.00 O ATOM 321 CB GLN A 21 16.905 18.416 -11.952 1.00 0.00 C ATOM 322 CG GLN A 21 16.573 19.769 -11.316 1.00 0.00 C ATOM 323 CD GLN A 21 16.841 20.928 -12.277 1.00 0.00 C ATOM 324 OE1 GLN A 21 16.184 21.098 -13.292 1.00 0.00 O ATOM 325 NE2 GLN A 21 17.806 21.778 -12.002 1.00 0.00 N ATOM 0 H GLN A 21 16.601 16.309 -12.982 1.00 0.00 H new ATOM 0 HA GLN A 21 17.375 17.045 -10.343 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.966 18.403 -12.201 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.356 18.332 -12.890 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.526 19.782 -11.014 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.167 19.901 -10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.368 21.656 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.992 22.559 -12.631 1.00 0.00 H new ATOM 334 N LEU A 22 14.140 17.039 -10.841 1.00 0.00 N ATOM 335 CA LEU A 22 12.879 16.898 -10.107 1.00 0.00 C ATOM 336 C LEU A 22 12.815 15.560 -9.346 1.00 0.00 C ATOM 337 O LEU A 22 12.467 15.550 -8.164 1.00 0.00 O ATOM 338 CB LEU A 22 11.697 17.038 -11.088 1.00 0.00 C ATOM 339 CG LEU A 22 10.326 17.113 -10.377 1.00 0.00 C ATOM 340 CD1 LEU A 22 10.027 18.513 -9.826 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.207 16.756 -11.351 1.00 0.00 C ATOM 0 H LEU A 22 14.043 16.913 -11.848 1.00 0.00 H new ATOM 0 HA LEU A 22 12.818 17.690 -9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.837 17.935 -11.691 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.699 16.190 -11.773 1.00 0.00 H new ATOM 0 HG LEU A 22 10.373 16.406 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.053 18.511 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.795 18.792 -9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.020 19.232 -10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.247 16.812 -10.838 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.214 17.456 -12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.360 15.744 -11.725 1.00 0.00 H new ATOM 353 N LYS A 23 13.132 14.439 -10.013 1.00 0.00 N ATOM 354 CA LYS A 23 12.977 13.087 -9.489 1.00 0.00 C ATOM 355 C LYS A 23 13.855 12.824 -8.279 1.00 0.00 C ATOM 356 O LYS A 23 13.341 12.458 -7.232 1.00 0.00 O ATOM 357 CB LYS A 23 13.325 12.094 -10.591 1.00 0.00 C ATOM 358 CG LYS A 23 12.107 11.660 -11.394 1.00 0.00 C ATOM 359 CD LYS A 23 12.413 10.674 -12.509 1.00 0.00 C ATOM 360 CE LYS A 23 13.375 9.579 -12.085 1.00 0.00 C ATOM 361 NZ LYS A 23 12.769 8.611 -11.146 1.00 0.00 N ATOM 0 H LYS A 23 13.514 14.457 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 23 11.943 12.971 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.057 12.544 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.796 11.216 -10.148 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.381 11.211 -10.717 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.637 12.544 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.483 10.220 -12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.835 11.213 -13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.726 9.048 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.249 10.032 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.519 8.047 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.236 9.124 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.125 7.980 -11.665 1.00 0.00 H new ATOM 375 N GLU A 24 15.157 13.055 -8.422 1.00 0.00 N ATOM 376 CA GLU A 24 16.176 13.007 -7.361 1.00 0.00 C ATOM 377 C GLU A 24 15.661 13.533 -6.021 1.00 0.00 C ATOM 378 O GLU A 24 15.783 12.846 -5.017 1.00 0.00 O ATOM 379 CB GLU A 24 17.406 13.828 -7.807 1.00 0.00 C ATOM 380 CG GLU A 24 18.560 13.895 -6.791 1.00 0.00 C ATOM 381 CD GLU A 24 18.749 15.340 -6.319 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.275 16.166 -7.099 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.240 15.729 -5.243 1.00 0.00 O ATOM 0 H GLU A 24 15.558 13.294 -9.329 1.00 0.00 H new ATOM 0 HA GLU A 24 16.444 11.962 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.787 13.404 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.082 14.844 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.346 13.249 -5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.480 13.528 -7.246 1.00 0.00 H new ATOM 390 N LYS A 25 15.042 14.717 -6.021 1.00 0.00 N ATOM 391 CA LYS A 25 14.491 15.369 -4.826 1.00 0.00 C ATOM 392 C LYS A 25 13.416 14.531 -4.139 1.00 0.00 C ATOM 393 O LYS A 25 13.447 14.316 -2.934 1.00 0.00 O ATOM 394 CB LYS A 25 13.916 16.741 -5.246 1.00 0.00 C ATOM 395 CG LYS A 25 14.485 17.921 -4.453 1.00 0.00 C ATOM 396 CD LYS A 25 15.993 18.133 -4.646 1.00 0.00 C ATOM 397 CE LYS A 25 16.371 18.238 -6.130 1.00 0.00 C ATOM 398 NZ LYS A 25 17.835 18.241 -6.303 1.00 0.00 N ATOM 0 H LYS A 25 14.906 15.263 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 25 15.294 15.490 -4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.115 16.898 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.833 16.723 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.960 18.830 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.283 17.765 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.301 19.041 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.537 17.306 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.938 17.402 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.949 19.150 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.098 17.563 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.150 19.194 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.291 17.969 -5.409 1.00 0.00 H new ATOM 412 N LEU A 26 12.448 14.093 -4.931 1.00 0.00 N ATOM 413 CA LEU A 26 11.303 13.285 -4.549 1.00 0.00 C ATOM 414 C LEU A 26 11.700 11.897 -4.044 1.00 0.00 C ATOM 415 O LEU A 26 11.309 11.477 -2.963 1.00 0.00 O ATOM 416 CB LEU A 26 10.433 13.164 -5.803 1.00 0.00 C ATOM 417 CG LEU A 26 9.213 14.076 -5.891 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.183 13.764 -4.811 1.00 0.00 C ATOM 419 CD2 LEU A 26 9.566 15.560 -5.831 1.00 0.00 C ATOM 0 H LEU A 26 12.444 14.309 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 26 10.775 13.759 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.063 13.356 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.091 12.132 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 26 8.781 13.870 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.333 14.438 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.844 12.734 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.635 13.897 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.654 16.154 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.071 15.776 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.225 15.811 -6.662 1.00 0.00 H new ATOM 431 N GLU A 27 12.466 11.179 -4.850 1.00 0.00 N ATOM 432 CA GLU A 27 13.098 9.913 -4.507 1.00 0.00 C ATOM 433 C GLU A 27 14.070 9.996 -3.321 1.00 0.00 C ATOM 434 O GLU A 27 14.164 9.033 -2.570 1.00 0.00 O ATOM 435 CB GLU A 27 13.781 9.395 -5.775 1.00 0.00 C ATOM 436 CG GLU A 27 12.797 8.548 -6.601 1.00 0.00 C ATOM 437 CD GLU A 27 12.944 8.779 -8.108 1.00 0.00 C ATOM 438 OE1 GLU A 27 13.868 8.228 -8.751 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.105 9.499 -8.698 1.00 0.00 O ATOM 0 H GLU A 27 12.674 11.475 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 27 12.332 9.219 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.140 10.233 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.652 8.797 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.958 7.493 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.777 8.784 -6.299 1.00 0.00 H new ATOM 446 N HIS A 28 14.743 11.125 -3.082 1.00 0.00 N ATOM 447 CA HIS A 28 15.452 11.377 -1.820 1.00 0.00 C ATOM 448 C HIS A 28 14.496 11.565 -0.631 1.00 0.00 C ATOM 449 O HIS A 28 14.762 11.063 0.457 1.00 0.00 O ATOM 450 CB HIS A 28 16.358 12.604 -1.971 1.00 0.00 C ATOM 451 CG HIS A 28 17.214 12.909 -0.767 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.487 14.170 -0.291 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.856 12.010 0.043 1.00 0.00 C ATOM 454 CE1 HIS A 28 18.284 14.034 0.784 1.00 0.00 C ATOM 455 NE2 HIS A 28 18.547 12.739 1.015 1.00 0.00 N ATOM 0 H HIS A 28 14.813 11.889 -3.754 1.00 0.00 H new ATOM 0 HA HIS A 28 16.055 10.495 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 28 17.008 12.455 -2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.736 13.473 -2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.833 10.934 -0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.660 14.854 1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 28 19.137 12.360 1.756 1.00 0.00 H new ATOM 463 N GLU A 29 13.384 12.277 -0.823 1.00 0.00 N ATOM 464 CA GLU A 29 12.340 12.482 0.190 1.00 0.00 C ATOM 465 C GLU A 29 11.594 11.187 0.573 1.00 0.00 C ATOM 466 O GLU A 29 11.146 11.036 1.710 1.00 0.00 O ATOM 467 CB GLU A 29 11.346 13.508 -0.378 1.00 0.00 C ATOM 468 CG GLU A 29 11.550 14.943 0.126 1.00 0.00 C ATOM 469 CD GLU A 29 10.686 15.237 1.355 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.114 15.020 2.510 1.00 0.00 O ATOM 471 OE2 GLU A 29 9.524 15.677 1.204 1.00 0.00 O ATOM 0 H GLU A 29 13.177 12.740 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 29 12.814 12.834 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.422 13.505 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.334 13.190 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.600 15.096 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.304 15.647 -0.669 1.00 0.00 H new ATOM 478 N PHE A 30 11.431 10.273 -0.386 1.00 0.00 N ATOM 479 CA PHE A 30 10.592 9.069 -0.333 1.00 0.00 C ATOM 480 C PHE A 30 11.291 7.803 -0.895 1.00 0.00 C ATOM 481 O PHE A 30 10.726 7.120 -1.761 1.00 0.00 O ATOM 482 CB PHE A 30 9.286 9.386 -1.092 1.00 0.00 C ATOM 483 CG PHE A 30 8.567 10.638 -0.628 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.146 10.749 0.710 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.393 11.722 -1.509 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.613 11.958 1.179 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.845 12.929 -1.042 1.00 0.00 C ATOM 488 CZ PHE A 30 7.481 13.054 0.306 1.00 0.00 C ATOM 0 H PHE A 30 11.913 10.358 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 30 10.386 8.824 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.515 9.488 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.609 8.537 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.233 9.903 1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.681 11.626 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.304 12.048 2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.705 13.758 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.098 13.994 0.676 1.00 0.00 H new ATOM 498 N PRO A 31 12.508 7.440 -0.440 1.00 0.00 N ATOM 499 CA PRO A 31 13.352 6.458 -1.119 1.00 0.00 C ATOM 500 C PRO A 31 12.784 5.047 -1.085 1.00 0.00 C ATOM 501 O PRO A 31 12.638 4.417 -0.043 1.00 0.00 O ATOM 502 CB PRO A 31 14.721 6.528 -0.469 1.00 0.00 C ATOM 503 CG PRO A 31 14.417 7.063 0.931 1.00 0.00 C ATOM 504 CD PRO A 31 13.221 7.988 0.702 1.00 0.00 C ATOM 0 HA PRO A 31 13.408 6.701 -2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.199 5.549 -0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.393 7.190 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.176 6.258 1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.267 7.601 1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.580 8.023 1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.548 9.009 0.505 1.00 0.00 H new ATOM 512 N GLY A 32 12.449 4.567 -2.274 1.00 0.00 N ATOM 513 CA GLY A 32 11.645 3.369 -2.538 1.00 0.00 C ATOM 514 C GLY A 32 10.240 3.347 -1.926 1.00 0.00 C ATOM 515 O GLY A 32 9.476 2.423 -2.194 1.00 0.00 O ATOM 0 H GLY A 32 12.746 5.026 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.550 3.251 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.192 2.501 -2.170 1.00 0.00 H new ATOM 519 N CYS A 33 9.850 4.355 -1.143 1.00 0.00 N ATOM 520 CA CYS A 33 8.480 4.658 -0.793 1.00 0.00 C ATOM 521 C CYS A 33 7.694 5.152 -2.026 1.00 0.00 C ATOM 522 O CYS A 33 6.464 5.218 -2.011 1.00 0.00 O ATOM 523 CB CYS A 33 8.475 5.697 0.341 1.00 0.00 C ATOM 524 SG CYS A 33 9.953 5.742 1.403 1.00 0.00 S ATOM 0 H CYS A 33 10.516 5.004 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 33 7.980 3.754 -0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.341 6.684 -0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.606 5.510 0.972 1.00 0.00 H new ATOM 0 HG CYS A 33 9.809 6.663 2.309 1.00 0.00 H new ATOM 530 N LEU A 34 8.397 5.483 -3.108 1.00 0.00 N ATOM 531 CA LEU A 34 7.846 5.877 -4.386 1.00 0.00 C ATOM 532 C LEU A 34 8.543 5.223 -5.576 1.00 0.00 C ATOM 533 O LEU A 34 9.741 4.947 -5.570 1.00 0.00 O ATOM 534 CB LEU A 34 7.959 7.405 -4.549 1.00 0.00 C ATOM 535 CG LEU A 34 6.613 8.105 -4.402 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.305 8.552 -2.977 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.535 9.340 -5.292 1.00 0.00 C ATOM 0 H LEU A 34 9.417 5.481 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 34 6.808 5.546 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.653 7.797 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.379 7.633 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 34 5.880 7.355 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.331 9.042 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.292 7.684 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.071 9.251 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.564 9.819 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.323 10.040 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.662 9.046 -6.334 1.00 0.00 H new ATOM 549 N ASP A 35 7.758 5.154 -6.641 1.00 0.00 N ATOM 550 CA ASP A 35 8.146 5.185 -8.042 1.00 0.00 C ATOM 551 C ASP A 35 7.802 6.553 -8.626 1.00 0.00 C ATOM 552 O ASP A 35 6.737 7.119 -8.368 1.00 0.00 O ATOM 553 CB ASP A 35 7.324 4.117 -8.761 1.00 0.00 C ATOM 554 CG ASP A 35 7.040 4.330 -10.257 1.00 0.00 C ATOM 555 OD1 ASP A 35 7.954 4.591 -11.067 1.00 0.00 O ATOM 556 OD2 ASP A 35 5.844 4.275 -10.630 1.00 0.00 O ATOM 0 H ASP A 35 6.747 5.068 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 35 9.215 5.003 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.839 3.163 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.368 4.025 -8.246 1.00 0.00 H new ATOM 561 N ILE A 36 8.681 7.010 -9.502 1.00 0.00 N ATOM 562 CA ILE A 36 8.462 8.047 -10.498 1.00 0.00 C ATOM 563 C ILE A 36 9.208 7.656 -11.778 1.00 0.00 C ATOM 564 O ILE A 36 10.420 7.432 -11.802 1.00 0.00 O ATOM 565 CB ILE A 36 8.976 9.416 -10.045 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.558 9.803 -8.614 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.565 10.496 -11.076 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.029 11.185 -8.172 1.00 0.00 C ATOM 0 H ILE A 36 9.631 6.642 -9.539 1.00 0.00 H new ATOM 0 HA ILE A 36 7.387 8.129 -10.659 1.00 0.00 H new ATOM 0 HB ILE A 36 10.063 9.348 -10.004 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.471 9.763 -8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.951 9.060 -7.920 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.933 11.469 -10.750 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.994 10.253 -12.048 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.478 10.527 -11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.691 11.376 -7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.118 11.227 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.615 11.941 -8.839 1.00 0.00 H new ATOM 580 N CYS A 37 8.472 7.664 -12.869 1.00 0.00 N ATOM 581 CA CYS A 37 8.917 7.421 -14.238 1.00 0.00 C ATOM 582 C CYS A 37 8.415 8.504 -15.204 1.00 0.00 C ATOM 583 O CYS A 37 7.750 9.461 -14.811 1.00 0.00 O ATOM 584 CB CYS A 37 8.455 6.021 -14.651 1.00 0.00 C ATOM 585 SG CYS A 37 9.443 4.735 -13.839 1.00 0.00 S ATOM 0 H CYS A 37 7.471 7.854 -12.826 1.00 0.00 H new ATOM 0 HA CYS A 37 10.005 7.471 -14.283 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.404 5.892 -14.393 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.534 5.914 -15.733 1.00 0.00 H new ATOM 0 HG CYS A 37 8.979 4.521 -12.644 1.00 0.00 H new ATOM 591 N GLY A 38 8.740 8.337 -16.485 1.00 0.00 N ATOM 592 CA GLY A 38 8.187 9.108 -17.596 1.00 0.00 C ATOM 593 C GLY A 38 7.687 8.225 -18.736 1.00 0.00 C ATOM 594 O GLY A 38 8.048 7.055 -18.800 1.00 0.00 O ATOM 0 H GLY A 38 9.418 7.638 -16.787 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.365 9.724 -17.232 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.950 9.788 -17.976 1.00 0.00 H new ATOM 598 N GLU A 39 6.916 8.816 -19.642 1.00 0.00 N ATOM 599 CA GLU A 39 6.263 8.227 -20.814 1.00 0.00 C ATOM 600 C GLU A 39 6.589 9.137 -22.007 1.00 0.00 C ATOM 601 O GLU A 39 5.821 10.006 -22.428 1.00 0.00 O ATOM 602 CB GLU A 39 4.757 8.149 -20.563 1.00 0.00 C ATOM 603 CG GLU A 39 4.336 7.130 -19.491 1.00 0.00 C ATOM 604 CD GLU A 39 4.198 5.692 -20.003 1.00 0.00 C ATOM 605 OE1 GLU A 39 5.137 5.231 -20.687 1.00 0.00 O ATOM 606 OE2 GLU A 39 3.164 5.066 -19.679 1.00 0.00 O ATOM 0 H GLU A 39 6.711 9.813 -19.571 1.00 0.00 H new ATOM 0 HA GLU A 39 6.614 7.215 -21.015 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.400 9.136 -20.267 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.259 7.898 -21.499 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.068 7.147 -18.684 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.384 7.443 -19.063 1.00 0.00 H new ATOM 613 N GLY A 40 7.830 9.011 -22.461 1.00 0.00 N ATOM 614 CA GLY A 40 8.473 9.931 -23.400 1.00 0.00 C ATOM 615 C GLY A 40 8.016 9.726 -24.849 1.00 0.00 C ATOM 616 O GLY A 40 8.382 8.744 -25.492 1.00 0.00 O ATOM 0 H GLY A 40 8.438 8.243 -22.179 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.259 10.957 -23.099 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.554 9.801 -23.344 1.00 0.00 H new ATOM 620 N THR A 41 7.199 10.649 -25.354 1.00 0.00 N ATOM 621 CA THR A 41 6.483 10.519 -26.625 1.00 0.00 C ATOM 622 C THR A 41 7.419 10.528 -27.846 1.00 0.00 C ATOM 623 O THR A 41 8.457 11.208 -27.843 1.00 0.00 O ATOM 624 CB THR A 41 5.419 11.622 -26.800 1.00 0.00 C ATOM 625 OG1 THR A 41 5.996 12.842 -27.202 1.00 0.00 O ATOM 626 CG2 THR A 41 4.583 11.911 -25.557 1.00 0.00 C ATOM 0 H THR A 41 7.011 11.532 -24.879 1.00 0.00 H new ATOM 0 HA THR A 41 5.993 9.546 -26.578 1.00 0.00 H new ATOM 0 HB THR A 41 4.760 11.215 -27.567 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.322 13.387 -27.660 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.864 12.700 -25.778 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.051 11.008 -25.258 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.236 12.232 -24.746 1.00 0.00 H new ATOM 634 N PRO A 42 7.032 9.861 -28.955 1.00 0.00 N ATOM 635 CA PRO A 42 7.708 9.975 -30.247 1.00 0.00 C ATOM 636 C PRO A 42 7.363 11.319 -30.917 1.00 0.00 C ATOM 637 O PRO A 42 6.629 11.377 -31.900 1.00 0.00 O ATOM 638 CB PRO A 42 7.250 8.743 -31.040 1.00 0.00 C ATOM 639 CG PRO A 42 5.830 8.510 -30.529 1.00 0.00 C ATOM 640 CD PRO A 42 5.922 8.917 -29.057 1.00 0.00 C ATOM 0 HA PRO A 42 8.795 9.984 -30.172 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.267 8.926 -32.114 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.892 7.882 -30.853 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.102 9.115 -31.070 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.526 7.469 -30.642 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.991 9.375 -28.723 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.094 8.046 -28.424 1.00 0.00 H new ATOM 648 N GLN A 43 7.875 12.414 -30.343 1.00 0.00 N ATOM 649 CA GLN A 43 7.740 13.833 -30.724 1.00 0.00 C ATOM 650 C GLN A 43 6.305 14.417 -30.715 1.00 0.00 C ATOM 651 O GLN A 43 6.136 15.603 -30.436 1.00 0.00 O ATOM 652 CB GLN A 43 8.488 14.058 -32.054 1.00 0.00 C ATOM 653 CG GLN A 43 8.763 15.534 -32.382 1.00 0.00 C ATOM 654 CD GLN A 43 9.687 15.680 -33.592 1.00 0.00 C ATOM 655 OE1 GLN A 43 9.535 15.036 -34.613 1.00 0.00 O ATOM 656 NE2 GLN A 43 10.689 16.531 -33.540 1.00 0.00 N ATOM 0 H GLN A 43 8.457 12.322 -29.511 1.00 0.00 H new ATOM 0 HA GLN A 43 8.205 14.416 -29.929 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.437 13.523 -32.019 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.905 13.620 -32.864 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.821 16.045 -32.580 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.215 16.021 -31.518 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.844 17.086 -32.698 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.311 16.636 -34.341 1.00 0.00 H new ATOM 665 N VAL A 44 5.275 13.607 -30.967 1.00 0.00 N ATOM 666 CA VAL A 44 3.844 13.939 -30.900 1.00 0.00 C ATOM 667 C VAL A 44 3.421 14.429 -29.506 1.00 0.00 C ATOM 668 O VAL A 44 3.920 13.942 -28.491 1.00 0.00 O ATOM 669 CB VAL A 44 3.022 12.714 -31.366 1.00 0.00 C ATOM 670 CG1 VAL A 44 3.138 11.497 -30.436 1.00 0.00 C ATOM 671 CG2 VAL A 44 1.537 13.033 -31.560 1.00 0.00 C ATOM 0 H VAL A 44 5.425 12.636 -31.242 1.00 0.00 H new ATOM 0 HA VAL A 44 3.645 14.775 -31.570 1.00 0.00 H new ATOM 0 HB VAL A 44 3.469 12.458 -32.327 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.534 10.679 -30.830 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.180 11.183 -30.377 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.782 11.764 -29.441 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.012 12.136 -31.887 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.113 13.378 -30.617 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.428 13.812 -32.314 1.00 0.00 H new ATOM 681 N THR A 45 2.472 15.379 -29.464 1.00 0.00 N ATOM 682 CA THR A 45 1.794 15.897 -28.250 1.00 0.00 C ATOM 683 C THR A 45 2.713 16.030 -27.025 1.00 0.00 C ATOM 684 O THR A 45 2.402 15.537 -25.944 1.00 0.00 O ATOM 685 CB THR A 45 0.531 15.074 -27.918 1.00 0.00 C ATOM 686 OG1 THR A 45 0.824 13.697 -27.876 1.00 0.00 O ATOM 687 CG2 THR A 45 -0.580 15.290 -28.947 1.00 0.00 C ATOM 0 H THR A 45 2.136 15.833 -30.314 1.00 0.00 H new ATOM 0 HA THR A 45 1.492 16.914 -28.498 1.00 0.00 H new ATOM 0 HB THR A 45 0.190 15.419 -26.942 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.010 13.196 -27.662 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.450 14.692 -28.674 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.857 16.344 -28.968 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.227 14.988 -29.933 1.00 0.00 H new ATOM 695 N GLY A 46 3.847 16.718 -27.201 1.00 0.00 N ATOM 696 CA GLY A 46 5.003 16.788 -26.293 1.00 0.00 C ATOM 697 C GLY A 46 4.822 17.512 -24.956 1.00 0.00 C ATOM 698 O GLY A 46 5.786 18.018 -24.392 1.00 0.00 O ATOM 0 H GLY A 46 3.994 17.280 -28.039 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.323 15.768 -26.080 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.819 17.273 -26.828 1.00 0.00 H new ATOM 702 N PHE A 47 3.592 17.599 -24.469 1.00 0.00 N ATOM 703 CA PHE A 47 3.182 18.212 -23.210 1.00 0.00 C ATOM 704 C PHE A 47 3.903 17.560 -22.011 1.00 0.00 C ATOM 705 O PHE A 47 4.050 16.344 -21.984 1.00 0.00 O ATOM 706 CB PHE A 47 1.660 18.034 -23.118 1.00 0.00 C ATOM 707 CG PHE A 47 0.852 18.283 -24.390 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.135 19.372 -25.240 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.201 17.408 -24.723 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.365 19.589 -26.396 1.00 0.00 C ATOM 711 CE2 PHE A 47 -0.980 17.631 -25.873 1.00 0.00 C ATOM 712 CZ PHE A 47 -0.697 18.724 -26.709 1.00 0.00 C ATOM 0 H PHE A 47 2.796 17.216 -24.979 1.00 0.00 H new ATOM 0 HA PHE A 47 3.450 19.268 -23.181 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.458 17.017 -22.783 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.287 18.705 -22.344 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.947 20.043 -25.002 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.412 16.559 -24.090 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.590 20.422 -27.045 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.794 16.963 -26.113 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.295 18.899 -27.591 1.00 0.00 H new ATOM 722 N PHE A 48 4.335 18.352 -21.022 1.00 0.00 N ATOM 723 CA PHE A 48 4.965 17.874 -19.777 1.00 0.00 C ATOM 724 C PHE A 48 3.910 17.652 -18.674 1.00 0.00 C ATOM 725 O PHE A 48 3.533 18.602 -17.977 1.00 0.00 O ATOM 726 CB PHE A 48 6.077 18.848 -19.349 1.00 0.00 C ATOM 727 CG PHE A 48 7.105 18.285 -18.381 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.773 18.063 -17.030 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.427 18.058 -18.811 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.750 17.610 -16.124 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.402 17.605 -17.907 1.00 0.00 C ATOM 732 CZ PHE A 48 9.065 17.379 -16.562 1.00 0.00 C ATOM 0 H PHE A 48 4.256 19.368 -21.063 1.00 0.00 H new ATOM 0 HA PHE A 48 5.429 16.904 -19.955 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.597 19.194 -20.243 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.614 19.722 -18.891 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.764 18.241 -16.688 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.693 18.233 -19.843 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.489 17.440 -15.090 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.412 17.430 -18.246 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.814 17.029 -15.867 1.00 0.00 H new ATOM 742 N GLU A 49 3.391 16.429 -18.547 1.00 0.00 N ATOM 743 CA GLU A 49 2.170 16.123 -17.804 1.00 0.00 C ATOM 744 C GLU A 49 2.429 15.111 -16.666 1.00 0.00 C ATOM 745 O GLU A 49 2.779 13.962 -16.946 1.00 0.00 O ATOM 746 CB GLU A 49 1.157 15.542 -18.800 1.00 0.00 C ATOM 747 CG GLU A 49 0.961 16.255 -20.148 1.00 0.00 C ATOM 748 CD GLU A 49 0.164 17.561 -20.083 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.712 18.653 -19.798 1.00 0.00 O ATOM 750 OE2 GLU A 49 -1.049 17.526 -20.391 1.00 0.00 O ATOM 0 H GLU A 49 3.820 15.605 -18.969 1.00 0.00 H new ATOM 0 HA GLU A 49 1.791 17.033 -17.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.450 14.513 -19.009 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.188 15.502 -18.302 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.941 16.467 -20.575 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.456 15.573 -20.832 1.00 0.00 H new ATOM 757 N VAL A 50 2.257 15.486 -15.387 1.00 0.00 N ATOM 758 CA VAL A 50 2.682 14.657 -14.235 1.00 0.00 C ATOM 759 C VAL A 50 1.475 14.087 -13.503 1.00 0.00 C ATOM 760 O VAL A 50 0.600 14.840 -13.071 1.00 0.00 O ATOM 761 CB VAL A 50 3.551 15.428 -13.224 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.105 14.514 -12.119 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.748 16.130 -13.884 1.00 0.00 C ATOM 0 H VAL A 50 1.821 16.368 -15.118 1.00 0.00 H new ATOM 0 HA VAL A 50 3.286 13.853 -14.657 1.00 0.00 H new ATOM 0 HB VAL A 50 2.880 16.173 -12.796 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.711 15.102 -11.430 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.278 14.058 -11.575 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.719 13.733 -12.567 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.325 16.657 -13.124 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.381 15.389 -14.371 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.388 16.843 -14.626 1.00 0.00 H new ATOM 773 N THR A 51 1.439 12.766 -13.315 1.00 0.00 N ATOM 774 CA THR A 51 0.360 12.000 -12.714 1.00 0.00 C ATOM 775 C THR A 51 0.846 11.101 -11.574 1.00 0.00 C ATOM 776 O THR A 51 1.818 10.369 -11.737 1.00 0.00 O ATOM 777 CB THR A 51 -0.238 11.082 -13.781 1.00 0.00 C ATOM 778 OG1 THR A 51 0.732 10.466 -14.598 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.217 11.795 -14.705 1.00 0.00 C ATOM 0 H THR A 51 2.216 12.170 -13.599 1.00 0.00 H new ATOM 0 HA THR A 51 -0.363 12.713 -12.318 1.00 0.00 H new ATOM 0 HB THR A 51 -0.761 10.325 -13.196 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.495 10.189 -14.048 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.605 11.089 -15.439 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.042 12.199 -14.119 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.705 12.608 -15.220 1.00 0.00 H new ATOM 787 N VAL A 52 0.140 11.079 -10.439 1.00 0.00 N ATOM 788 CA VAL A 52 0.395 10.241 -9.255 1.00 0.00 C ATOM 789 C VAL A 52 -0.817 9.351 -8.987 1.00 0.00 C ATOM 790 O VAL A 52 -1.937 9.835 -8.851 1.00 0.00 O ATOM 791 CB VAL A 52 0.794 11.098 -8.035 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.145 12.271 -7.730 1.00 0.00 C ATOM 793 CG2 VAL A 52 0.921 10.236 -6.770 1.00 0.00 C ATOM 0 H VAL A 52 -0.674 11.680 -10.311 1.00 0.00 H new ATOM 0 HA VAL A 52 1.247 9.590 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 52 1.755 11.527 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.220 12.811 -6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.176 12.944 -8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.147 11.892 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.203 10.867 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.034 9.755 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.685 9.474 -6.924 1.00 0.00 H new ATOM 803 N ALA A 53 -0.615 8.033 -9.018 1.00 0.00 N ATOM 804 CA ALA A 53 -1.656 6.996 -8.979 1.00 0.00 C ATOM 805 C ALA A 53 -2.825 7.210 -9.984 1.00 0.00 C ATOM 806 O ALA A 53 -3.922 6.693 -9.797 1.00 0.00 O ATOM 807 CB ALA A 53 -2.128 6.819 -7.529 1.00 0.00 C ATOM 0 H ALA A 53 0.323 7.637 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.208 6.065 -9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.901 6.051 -7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.285 6.518 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.533 7.761 -7.161 1.00 0.00 H new ATOM 813 N GLY A 54 -2.614 8.007 -11.039 1.00 0.00 N ATOM 814 CA GLY A 54 -3.603 8.418 -12.048 1.00 0.00 C ATOM 815 C GLY A 54 -4.163 9.843 -11.882 1.00 0.00 C ATOM 816 O GLY A 54 -4.816 10.353 -12.788 1.00 0.00 O ATOM 0 H GLY A 54 -1.694 8.407 -11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.145 8.338 -13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.435 7.714 -12.025 1.00 0.00 H new ATOM 820 N LYS A 55 -3.900 10.524 -10.761 1.00 0.00 N ATOM 821 CA LYS A 55 -4.246 11.935 -10.528 1.00 0.00 C ATOM 822 C LYS A 55 -3.209 12.850 -11.174 1.00 0.00 C ATOM 823 O LYS A 55 -2.071 12.884 -10.711 1.00 0.00 O ATOM 824 CB LYS A 55 -4.332 12.231 -9.028 1.00 0.00 C ATOM 825 CG LYS A 55 -5.381 11.422 -8.253 1.00 0.00 C ATOM 826 CD LYS A 55 -6.813 11.827 -8.630 1.00 0.00 C ATOM 827 CE LYS A 55 -7.829 11.079 -7.760 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.218 11.452 -8.126 1.00 0.00 N ATOM 0 H LYS A 55 -3.426 10.097 -9.965 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.220 12.124 -10.980 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.355 12.046 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.547 13.291 -8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.240 10.360 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.233 11.567 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.938 12.902 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.994 11.607 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.694 10.004 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.652 11.308 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.887 10.932 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.350 12.474 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.391 11.211 -9.123 1.00 0.00 H new ATOM 842 N LEU A 56 -3.558 13.565 -12.245 1.00 0.00 N ATOM 843 CA LEU A 56 -2.708 14.647 -12.746 1.00 0.00 C ATOM 844 C LEU A 56 -2.601 15.756 -11.700 1.00 0.00 C ATOM 845 O LEU A 56 -3.599 16.173 -11.114 1.00 0.00 O ATOM 846 CB LEU A 56 -3.200 15.127 -14.118 1.00 0.00 C ATOM 847 CG LEU A 56 -2.363 16.270 -14.726 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.284 16.123 -16.248 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.969 17.641 -14.415 1.00 0.00 C ATOM 0 H LEU A 56 -4.415 13.417 -12.778 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.694 14.281 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.197 14.283 -14.808 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.234 15.459 -14.025 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.370 16.205 -14.282 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.690 16.938 -16.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.817 15.170 -16.498 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.289 16.156 -16.669 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.351 18.421 -14.860 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.976 17.696 -14.828 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.012 17.784 -13.335 1.00 0.00 H new ATOM 861 N VAL A 57 -1.372 16.219 -11.501 1.00 0.00 N ATOM 862 CA VAL A 57 -1.036 17.339 -10.608 1.00 0.00 C ATOM 863 C VAL A 57 -0.370 18.476 -11.383 1.00 0.00 C ATOM 864 O VAL A 57 -0.528 19.638 -11.013 1.00 0.00 O ATOM 865 CB VAL A 57 -0.168 16.844 -9.432 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.319 17.977 -8.517 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.967 15.875 -8.549 1.00 0.00 C ATOM 0 H VAL A 57 -0.556 15.820 -11.965 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.957 17.743 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 57 0.695 16.363 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.923 17.560 -7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.920 18.679 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.540 18.498 -8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.341 15.535 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.845 16.384 -8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.282 15.017 -9.143 1.00 0.00 H new ATOM 877 N HIS A 58 0.307 18.159 -12.490 1.00 0.00 N ATOM 878 CA HIS A 58 1.064 19.131 -13.282 1.00 0.00 C ATOM 879 C HIS A 58 0.773 18.965 -14.769 1.00 0.00 C ATOM 880 O HIS A 58 0.542 17.858 -15.253 1.00 0.00 O ATOM 881 CB HIS A 58 2.553 18.900 -13.038 1.00 0.00 C ATOM 882 CG HIS A 58 3.479 20.018 -13.442 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.406 21.328 -13.047 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.566 19.901 -14.265 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.414 21.993 -13.626 1.00 0.00 C ATOM 886 NE2 HIS A 58 5.161 21.163 -14.375 1.00 0.00 N ATOM 0 H HIS A 58 0.345 17.211 -12.865 1.00 0.00 H new ATOM 0 HA HIS A 58 0.772 20.138 -12.982 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.699 18.703 -11.976 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.851 17.999 -13.574 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.706 21.727 -12.421 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.905 18.995 -14.745 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.601 23.050 -13.508 1.00 0.00 H new ATOM 894 N SER A 59 0.839 20.061 -15.514 1.00 0.00 N ATOM 895 CA SER A 59 0.615 20.090 -16.954 1.00 0.00 C ATOM 896 C SER A 59 1.180 21.351 -17.598 1.00 0.00 C ATOM 897 O SER A 59 0.621 22.448 -17.448 1.00 0.00 O ATOM 898 CB SER A 59 -0.883 20.107 -17.202 1.00 0.00 C ATOM 899 OG SER A 59 -1.190 20.078 -18.583 1.00 0.00 O ATOM 0 H SER A 59 1.055 20.978 -15.124 1.00 0.00 H new ATOM 0 HA SER A 59 1.108 19.217 -17.383 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.342 19.249 -16.710 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.315 21.001 -16.753 1.00 0.00 H new ATOM 0 HG SER A 59 -0.400 19.793 -19.088 1.00 0.00 H new ATOM 905 N LYS A 60 2.250 21.236 -18.385 1.00 0.00 N ATOM 906 CA LYS A 60 2.706 22.390 -19.163 1.00 0.00 C ATOM 907 C LYS A 60 1.687 22.862 -20.198 1.00 0.00 C ATOM 908 O LYS A 60 1.650 24.067 -20.441 1.00 0.00 O ATOM 909 CB LYS A 60 4.062 22.096 -19.814 1.00 0.00 C ATOM 910 CG LYS A 60 5.229 22.599 -18.953 1.00 0.00 C ATOM 911 CD LYS A 60 5.652 24.059 -19.207 1.00 0.00 C ATOM 912 CE LYS A 60 4.531 25.080 -18.978 1.00 0.00 C ATOM 913 NZ LYS A 60 5.013 26.478 -19.120 1.00 0.00 N ATOM 0 H LYS A 60 2.802 20.386 -18.500 1.00 0.00 H new ATOM 0 HA LYS A 60 2.821 23.215 -18.460 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.164 21.022 -19.973 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.104 22.569 -20.795 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.956 22.494 -17.903 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.090 21.953 -19.124 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.491 24.303 -18.555 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.009 24.150 -20.233 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.726 24.900 -19.690 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.112 24.941 -17.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.224 27.136 -18.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.764 26.659 -18.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.390 26.620 -20.079 1.00 0.00 H new ATOM 927 N LYS A 61 0.872 21.973 -20.788 1.00 0.00 N ATOM 928 CA LYS A 61 -0.136 22.384 -21.789 1.00 0.00 C ATOM 929 C LYS A 61 -1.384 23.049 -21.203 1.00 0.00 C ATOM 930 O LYS A 61 -1.953 23.894 -21.881 1.00 0.00 O ATOM 931 CB LYS A 61 -0.469 21.240 -22.758 1.00 0.00 C ATOM 932 CG LYS A 61 -1.360 20.133 -22.178 1.00 0.00 C ATOM 933 CD LYS A 61 -2.845 20.270 -22.546 1.00 0.00 C ATOM 934 CE LYS A 61 -3.726 19.301 -21.744 1.00 0.00 C ATOM 935 NZ LYS A 61 -3.276 17.893 -21.866 1.00 0.00 N ATOM 0 H LYS A 61 0.887 20.972 -20.594 1.00 0.00 H new ATOM 0 HA LYS A 61 0.337 23.178 -22.367 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.962 21.660 -23.635 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.464 20.792 -23.101 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.997 19.167 -22.529 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.264 20.134 -21.092 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.171 21.294 -22.363 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.974 20.080 -23.612 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.718 19.592 -20.694 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.757 19.381 -22.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.014 17.260 -21.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.097 17.671 -22.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.401 17.760 -21.319 1.00 0.00 H new ATOM 949 N ARG A 62 -1.799 22.735 -19.961 1.00 0.00 N ATOM 950 CA ARG A 62 -2.867 23.497 -19.287 1.00 0.00 C ATOM 951 C ARG A 62 -2.431 24.878 -18.814 1.00 0.00 C ATOM 952 O ARG A 62 -3.281 25.708 -18.520 1.00 0.00 O ATOM 953 CB ARG A 62 -3.492 22.668 -18.154 1.00 0.00 C ATOM 954 CG ARG A 62 -2.913 22.806 -16.737 1.00 0.00 C ATOM 955 CD ARG A 62 -3.394 23.983 -15.897 1.00 0.00 C ATOM 956 NE ARG A 62 -3.050 23.770 -14.482 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.852 23.423 -13.485 1.00 0.00 C ATOM 958 NH1 ARG A 62 -5.144 23.325 -13.636 1.00 0.00 N ATOM 959 NH2 ARG A 62 -3.381 23.163 -12.305 1.00 0.00 N ATOM 0 H ARG A 62 -1.416 21.968 -19.409 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.634 23.687 -20.038 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.551 22.920 -18.105 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.427 21.618 -18.438 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.135 21.889 -16.191 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.828 22.872 -16.821 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.937 24.906 -16.255 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.473 24.099 -16.003 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.069 23.907 -14.237 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.567 23.518 -14.544 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.731 23.055 -12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.378 23.224 -12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.014 22.898 -11.550 1.00 0.00 H new ATOM 973 N GLY A 63 -1.123 25.103 -18.701 1.00 0.00 N ATOM 974 CA GLY A 63 -0.563 26.360 -18.217 1.00 0.00 C ATOM 975 C GLY A 63 -0.172 26.334 -16.751 1.00 0.00 C ATOM 976 O GLY A 63 -0.129 27.381 -16.116 1.00 0.00 O ATOM 0 H GLY A 63 -0.416 24.409 -18.946 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.315 26.609 -18.813 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.291 27.156 -18.375 1.00 0.00 H new ATOM 980 N ASP A 64 0.146 25.147 -16.226 1.00 0.00 N ATOM 981 CA ASP A 64 0.578 24.995 -14.835 1.00 0.00 C ATOM 982 C ASP A 64 1.934 25.660 -14.540 1.00 0.00 C ATOM 983 O ASP A 64 2.184 26.105 -13.419 1.00 0.00 O ATOM 984 CB ASP A 64 0.630 23.500 -14.510 1.00 0.00 C ATOM 985 CG ASP A 64 0.389 23.270 -13.032 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.773 23.491 -12.639 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.319 22.832 -12.333 1.00 0.00 O ATOM 0 H ASP A 64 0.112 24.272 -16.749 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.144 25.508 -14.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.121 22.968 -15.094 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.601 23.094 -14.794 1.00 0.00 H new ATOM 992 N GLY A 65 2.813 25.737 -15.550 1.00 0.00 N ATOM 993 CA GLY A 65 4.175 26.235 -15.407 1.00 0.00 C ATOM 994 C GLY A 65 5.190 25.104 -15.429 1.00 0.00 C ATOM 995 O GLY A 65 4.925 24.042 -15.982 1.00 0.00 O ATOM 0 H GLY A 65 2.587 25.448 -16.502 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.393 26.936 -16.213 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.265 26.787 -14.471 1.00 0.00 H new ATOM 999 N TYR A 66 6.365 25.373 -14.886 1.00 0.00 N ATOM 1000 CA TYR A 66 7.279 24.409 -14.278 1.00 0.00 C ATOM 1001 C TYR A 66 7.370 24.676 -12.762 1.00 0.00 C ATOM 1002 O TYR A 66 6.462 25.280 -12.179 1.00 0.00 O ATOM 1003 CB TYR A 66 8.630 24.471 -15.014 1.00 0.00 C ATOM 1004 CG TYR A 66 8.710 23.659 -16.297 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.265 22.322 -16.306 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.258 24.218 -17.471 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.293 21.574 -17.494 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.301 23.462 -18.660 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.788 22.146 -18.680 1.00 0.00 C ATOM 1010 OH TYR A 66 8.777 21.434 -19.835 1.00 0.00 O ATOM 0 H TYR A 66 6.732 26.324 -14.854 1.00 0.00 H new ATOM 0 HA TYR A 66 6.915 23.387 -14.382 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.850 25.513 -15.249 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.410 24.126 -14.336 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.901 21.871 -15.395 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.645 25.226 -17.459 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.933 20.556 -17.497 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.726 23.889 -19.556 1.00 0.00 H new ATOM 0 HH TYR A 66 8.690 20.480 -19.630 1.00 0.00 H new ATOM 1020 N VAL A 67 8.422 24.198 -12.089 1.00 0.00 N ATOM 1021 CA VAL A 67 8.768 24.662 -10.733 1.00 0.00 C ATOM 1022 C VAL A 67 9.367 26.064 -10.768 1.00 0.00 C ATOM 1023 O VAL A 67 10.551 26.325 -10.611 1.00 0.00 O ATOM 1024 CB VAL A 67 9.628 23.722 -9.897 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.811 22.488 -9.495 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.936 23.236 -10.545 1.00 0.00 C ATOM 0 H VAL A 67 9.053 23.487 -12.459 1.00 0.00 H new ATOM 0 HA VAL A 67 7.811 24.678 -10.211 1.00 0.00 H new ATOM 0 HB VAL A 67 9.926 24.330 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.431 21.820 -8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.945 22.799 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.475 21.966 -10.391 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.460 22.575 -9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.708 22.695 -11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.568 24.093 -10.776 1.00 0.00 H new ATOM 1036 N ASP A 68 8.453 26.979 -11.000 1.00 0.00 N ATOM 1037 CA ASP A 68 8.676 28.394 -11.229 1.00 0.00 C ATOM 1038 C ASP A 68 8.889 29.160 -9.913 1.00 0.00 C ATOM 1039 O ASP A 68 9.210 30.347 -9.891 1.00 0.00 O ATOM 1040 CB ASP A 68 7.452 28.902 -11.963 1.00 0.00 C ATOM 1041 CG ASP A 68 7.186 28.226 -13.322 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.125 27.774 -14.008 1.00 0.00 O ATOM 1043 OD2 ASP A 68 5.987 28.031 -13.622 1.00 0.00 O ATOM 0 H ASP A 68 7.462 26.739 -11.037 1.00 0.00 H new ATOM 0 HA ASP A 68 9.583 28.550 -11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.579 28.761 -11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.560 29.975 -12.122 1.00 0.00 H new ATOM 1048 N THR A 69 8.648 28.490 -8.785 1.00 0.00 N ATOM 1049 CA THR A 69 8.992 28.950 -7.442 1.00 0.00 C ATOM 1050 C THR A 69 9.056 27.755 -6.496 1.00 0.00 C ATOM 1051 O THR A 69 8.417 26.729 -6.735 1.00 0.00 O ATOM 1052 CB THR A 69 7.935 29.918 -6.889 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.118 30.494 -7.882 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.558 31.074 -6.116 1.00 0.00 C ATOM 0 H THR A 69 8.191 27.578 -8.784 1.00 0.00 H new ATOM 0 HA THR A 69 9.953 29.460 -7.508 1.00 0.00 H new ATOM 0 HB THR A 69 7.330 29.289 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.469 31.096 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.770 31.730 -5.745 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.130 30.683 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.220 31.637 -6.774 1.00 0.00 H new ATOM 1062 N GLU A 70 9.690 27.930 -5.341 1.00 0.00 N ATOM 1063 CA GLU A 70 9.716 26.907 -4.285 1.00 0.00 C ATOM 1064 C GLU A 70 8.308 26.575 -3.782 1.00 0.00 C ATOM 1065 O GLU A 70 7.957 25.418 -3.579 1.00 0.00 O ATOM 1066 CB GLU A 70 10.611 27.375 -3.124 1.00 0.00 C ATOM 1067 CG GLU A 70 12.109 27.164 -3.408 1.00 0.00 C ATOM 1068 CD GLU A 70 12.531 25.682 -3.455 1.00 0.00 C ATOM 1069 OE1 GLU A 70 11.651 24.811 -3.265 1.00 0.00 O ATOM 1070 OE2 GLU A 70 13.733 25.433 -3.684 1.00 0.00 O ATOM 0 H GLU A 70 10.201 28.781 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 70 10.131 25.993 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.427 28.432 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.337 26.834 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.358 27.633 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.690 27.673 -2.639 1.00 0.00 H new ATOM 1077 N SER A 71 7.421 27.572 -3.700 1.00 0.00 N ATOM 1078 CA SER A 71 6.028 27.320 -3.309 1.00 0.00 C ATOM 1079 C SER A 71 5.257 26.472 -4.319 1.00 0.00 C ATOM 1080 O SER A 71 4.331 25.757 -3.930 1.00 0.00 O ATOM 1081 CB SER A 71 5.277 28.626 -3.091 1.00 0.00 C ATOM 1082 OG SER A 71 4.297 28.418 -2.093 1.00 0.00 O ATOM 0 H SER A 71 7.637 28.549 -3.896 1.00 0.00 H new ATOM 0 HA SER A 71 6.087 26.757 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.967 29.413 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.809 28.953 -4.019 1.00 0.00 H new ATOM 0 HG SER A 71 3.805 29.251 -1.939 1.00 0.00 H new ATOM 1088 N LYS A 72 5.645 26.537 -5.602 1.00 0.00 N ATOM 1089 CA LYS A 72 5.181 25.614 -6.638 1.00 0.00 C ATOM 1090 C LYS A 72 5.657 24.194 -6.361 1.00 0.00 C ATOM 1091 O LYS A 72 4.834 23.288 -6.264 1.00 0.00 O ATOM 1092 CB LYS A 72 5.601 26.063 -8.049 1.00 0.00 C ATOM 1093 CG LYS A 72 4.702 25.407 -9.116 1.00 0.00 C ATOM 1094 CD LYS A 72 3.564 26.335 -9.563 1.00 0.00 C ATOM 1095 CE LYS A 72 4.105 27.458 -10.456 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.257 26.998 -11.855 1.00 0.00 N ATOM 0 H LYS A 72 6.297 27.241 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 72 4.092 25.626 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.534 27.148 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.642 25.794 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.307 25.134 -9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.281 24.484 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.812 25.762 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.071 26.762 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.429 28.312 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.068 27.798 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.688 27.754 -12.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.867 26.156 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.323 26.760 -12.246 1.00 0.00 H new ATOM 1110 N PHE A 73 6.966 24.008 -6.197 1.00 0.00 N ATOM 1111 CA PHE A 73 7.555 22.696 -5.925 1.00 0.00 C ATOM 1112 C PHE A 73 6.960 22.059 -4.658 1.00 0.00 C ATOM 1113 O PHE A 73 6.447 20.936 -4.680 1.00 0.00 O ATOM 1114 CB PHE A 73 9.081 22.846 -5.830 1.00 0.00 C ATOM 1115 CG PHE A 73 9.802 21.559 -5.487 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.513 20.373 -6.189 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.734 21.537 -4.433 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.125 19.166 -5.814 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.342 20.329 -4.056 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.022 19.141 -4.734 1.00 0.00 C ATOM 0 H PHE A 73 7.650 24.763 -6.249 1.00 0.00 H new ATOM 0 HA PHE A 73 7.316 22.017 -6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.460 23.221 -6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.317 23.596 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.820 20.392 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.982 22.451 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.906 18.258 -6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.055 20.313 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.467 18.207 -4.424 1.00 0.00 H new ATOM 1130 N ARG A 74 6.939 22.817 -3.560 1.00 0.00 N ATOM 1131 CA ARG A 74 6.465 22.402 -2.239 1.00 0.00 C ATOM 1132 C ARG A 74 5.003 21.980 -2.232 1.00 0.00 C ATOM 1133 O ARG A 74 4.637 21.143 -1.412 1.00 0.00 O ATOM 1134 CB ARG A 74 6.727 23.510 -1.200 1.00 0.00 C ATOM 1135 CG ARG A 74 6.873 22.938 0.221 1.00 0.00 C ATOM 1136 CD ARG A 74 6.911 24.042 1.289 1.00 0.00 C ATOM 1137 NE ARG A 74 5.559 24.398 1.780 1.00 0.00 N ATOM 1138 CZ ARG A 74 5.235 25.447 2.518 1.00 0.00 C ATOM 1139 NH1 ARG A 74 6.092 26.395 2.773 1.00 0.00 N ATOM 1140 NH2 ARG A 74 4.044 25.561 3.038 1.00 0.00 N ATOM 0 H ARG A 74 7.268 23.783 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 74 7.036 21.515 -1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.633 24.053 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.907 24.228 -1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.042 22.264 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.786 22.345 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.524 23.712 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.389 24.929 0.874 1.00 0.00 H new ATOM 0 HE ARG A 74 4.799 23.769 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.040 26.339 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.815 27.193 3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.346 24.835 2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.811 26.376 3.605 1.00 0.00 H new ATOM 1154 N LYS A 75 4.170 22.492 -3.147 1.00 0.00 N ATOM 1155 CA LYS A 75 2.797 22.032 -3.371 1.00 0.00 C ATOM 1156 C LYS A 75 2.755 20.533 -3.642 1.00 0.00 C ATOM 1157 O LYS A 75 1.974 19.813 -3.028 1.00 0.00 O ATOM 1158 CB LYS A 75 2.198 22.807 -4.564 1.00 0.00 C ATOM 1159 CG LYS A 75 0.668 22.747 -4.612 1.00 0.00 C ATOM 1160 CD LYS A 75 0.090 23.704 -3.566 1.00 0.00 C ATOM 1161 CE LYS A 75 -1.445 23.661 -3.510 1.00 0.00 C ATOM 1162 NZ LYS A 75 -2.071 24.174 -4.757 1.00 0.00 N ATOM 0 H LYS A 75 4.440 23.256 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 75 2.210 22.221 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.513 23.849 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.601 22.402 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.313 23.019 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.326 21.730 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.493 23.451 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.413 24.720 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.771 22.635 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.792 24.252 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.106 24.157 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.756 25.150 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.790 23.574 -5.559 1.00 0.00 H new ATOM 1176 N LEU A 76 3.632 20.094 -4.539 1.00 0.00 N ATOM 1177 CA LEU A 76 3.732 18.700 -4.973 1.00 0.00 C ATOM 1178 C LEU A 76 4.412 17.845 -3.917 1.00 0.00 C ATOM 1179 O LEU A 76 3.899 16.792 -3.549 1.00 0.00 O ATOM 1180 CB LEU A 76 4.454 18.658 -6.331 1.00 0.00 C ATOM 1181 CG LEU A 76 4.287 17.322 -7.082 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.362 17.547 -8.593 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.380 16.312 -6.718 1.00 0.00 C ATOM 0 H LEU A 76 4.308 20.707 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 76 2.737 18.275 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.077 19.466 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.516 18.846 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 76 3.315 16.926 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.242 16.594 -9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.568 18.228 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.329 17.979 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.220 15.387 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.356 16.724 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.343 16.105 -5.648 1.00 0.00 H new ATOM 1195 N VAL A 77 5.503 18.364 -3.356 1.00 0.00 N ATOM 1196 CA VAL A 77 6.197 17.708 -2.232 1.00 0.00 C ATOM 1197 C VAL A 77 5.228 17.412 -1.093 1.00 0.00 C ATOM 1198 O VAL A 77 5.161 16.287 -0.605 1.00 0.00 O ATOM 1199 CB VAL A 77 7.389 18.535 -1.715 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.078 17.887 -0.513 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.453 18.721 -2.795 1.00 0.00 C ATOM 0 H VAL A 77 5.932 19.239 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 77 6.594 16.768 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 77 6.962 19.494 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.910 18.512 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.364 17.784 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.452 16.903 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.279 19.309 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.823 17.746 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.018 19.241 -3.649 1.00 0.00 H new ATOM 1211 N THR A 78 4.406 18.392 -0.724 1.00 0.00 N ATOM 1212 CA THR A 78 3.416 18.238 0.339 1.00 0.00 C ATOM 1213 C THR A 78 2.369 17.194 -0.004 1.00 0.00 C ATOM 1214 O THR A 78 2.001 16.395 0.856 1.00 0.00 O ATOM 1215 CB THR A 78 2.744 19.579 0.689 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.709 20.561 0.994 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.838 19.499 1.915 1.00 0.00 C ATOM 0 H THR A 78 4.408 19.317 -1.155 1.00 0.00 H new ATOM 0 HA THR A 78 3.958 17.889 1.218 1.00 0.00 H new ATOM 0 HB THR A 78 2.157 19.832 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.138 20.866 0.167 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.397 20.477 2.106 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.046 18.772 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.424 19.190 2.781 1.00 0.00 H new ATOM 1225 N ALA A 79 1.936 17.149 -1.263 1.00 0.00 N ATOM 1226 CA ALA A 79 0.872 16.236 -1.662 1.00 0.00 C ATOM 1227 C ALA A 79 1.348 14.796 -1.821 1.00 0.00 C ATOM 1228 O ALA A 79 0.624 13.857 -1.492 1.00 0.00 O ATOM 1229 CB ALA A 79 0.196 16.769 -2.931 1.00 0.00 C ATOM 0 H ALA A 79 2.303 17.730 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 79 0.137 16.200 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.600 16.088 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.225 17.755 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.932 16.843 -3.732 1.00 0.00 H new ATOM 1235 N ILE A 80 2.608 14.625 -2.212 1.00 0.00 N ATOM 1236 CA ILE A 80 3.230 13.308 -2.278 1.00 0.00 C ATOM 1237 C ILE A 80 3.526 12.835 -0.859 1.00 0.00 C ATOM 1238 O ILE A 80 3.273 11.676 -0.557 1.00 0.00 O ATOM 1239 CB ILE A 80 4.477 13.330 -3.180 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.134 13.679 -4.648 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.210 11.979 -3.128 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.254 12.680 -5.406 1.00 0.00 C ATOM 0 H ILE A 80 3.222 15.390 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 80 2.549 12.592 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 80 5.129 14.114 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.636 14.648 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.068 13.794 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.088 12.016 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.520 11.773 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.542 11.189 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.087 13.039 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.751 11.711 -5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.296 12.578 -4.895 1.00 0.00 H new ATOM 1254 N LYS A 81 3.941 13.725 0.054 1.00 0.00 N ATOM 1255 CA LYS A 81 4.233 13.351 1.447 1.00 0.00 C ATOM 1256 C LYS A 81 2.987 12.843 2.152 1.00 0.00 C ATOM 1257 O LYS A 81 3.032 11.850 2.873 1.00 0.00 O ATOM 1258 CB LYS A 81 4.768 14.581 2.195 1.00 0.00 C ATOM 1259 CG LYS A 81 5.427 14.232 3.541 1.00 0.00 C ATOM 1260 CD LYS A 81 6.219 15.422 4.103 1.00 0.00 C ATOM 1261 CE LYS A 81 7.488 15.712 3.288 1.00 0.00 C ATOM 1262 NZ LYS A 81 8.648 14.868 3.672 1.00 0.00 N ATOM 0 H LYS A 81 4.083 14.715 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 81 4.975 12.553 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.494 15.094 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.948 15.278 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.661 13.933 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.093 13.379 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.584 16.308 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.493 15.217 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.273 15.560 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.757 16.761 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.523 15.294 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.702 14.803 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.532 13.915 3.271 1.00 0.00 H new ATOM 1276 N ALA A 82 1.877 13.535 1.915 1.00 0.00 N ATOM 1277 CA ALA A 82 0.560 13.189 2.442 1.00 0.00 C ATOM 1278 C ALA A 82 -0.002 11.899 1.821 1.00 0.00 C ATOM 1279 O ALA A 82 -0.490 11.033 2.547 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.384 14.377 2.225 1.00 0.00 C ATOM 0 H ALA A 82 1.868 14.374 1.336 1.00 0.00 H new ATOM 0 HA ALA A 82 0.653 12.985 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.372 14.132 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.005 15.251 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.457 14.594 1.159 1.00 0.00 H new ATOM 1286 N ALA A 83 0.093 11.753 0.494 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.304 10.524 -0.193 1.00 0.00 C ATOM 1288 C ALA A 83 0.515 9.315 0.271 1.00 0.00 C ATOM 1289 O ALA A 83 -0.022 8.225 0.482 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.205 10.731 -1.709 1.00 0.00 C ATOM 0 H ALA A 83 0.445 12.480 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.340 10.303 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.501 9.815 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.866 11.544 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.822 10.981 -1.976 1.00 0.00 H new ATOM 1296 N LEU A 84 1.808 9.540 0.496 1.00 0.00 N ATOM 1297 CA LEU A 84 2.745 8.508 0.926 1.00 0.00 C ATOM 1298 C LEU A 84 2.371 7.955 2.291 1.00 0.00 C ATOM 1299 O LEU A 84 2.139 6.757 2.444 1.00 0.00 O ATOM 1300 CB LEU A 84 4.175 9.076 0.914 1.00 0.00 C ATOM 1301 CG LEU A 84 5.318 8.069 1.070 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.618 7.680 2.518 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.029 6.806 0.256 1.00 0.00 C ATOM 0 H LEU A 84 2.239 10.458 0.383 1.00 0.00 H new ATOM 0 HA LEU A 84 2.697 7.673 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.320 9.612 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.256 9.809 1.716 1.00 0.00 H new ATOM 0 HG LEU A 84 6.206 8.576 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.440 6.964 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.897 8.569 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.732 7.229 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.850 6.099 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.103 6.350 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.927 7.067 -0.797 1.00 0.00 H new ATOM 1315 N ALA A 85 2.274 8.848 3.273 1.00 0.00 N ATOM 1316 CA ALA A 85 1.955 8.466 4.651 1.00 0.00 C ATOM 1317 C ALA A 85 0.593 7.760 4.806 1.00 0.00 C ATOM 1318 O ALA A 85 0.393 6.979 5.734 1.00 0.00 O ATOM 1319 CB ALA A 85 2.065 9.709 5.545 1.00 0.00 C ATOM 0 H ALA A 85 2.413 9.850 3.140 1.00 0.00 H new ATOM 0 HA ALA A 85 2.681 7.717 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.830 9.439 6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.080 10.104 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.363 10.469 5.200 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.320 7.972 3.858 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.597 7.262 3.770 1.00 0.00 C ATOM 1327 C GLN A 86 -1.411 5.860 3.190 1.00 0.00 C ATOM 1328 O GLN A 86 -1.806 4.862 3.784 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.599 8.091 2.953 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.022 7.522 3.074 1.00 0.00 C ATOM 1331 CD GLN A 86 -5.014 8.184 2.125 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.829 7.537 1.491 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.013 9.491 1.987 1.00 0.00 N ATOM 0 H GLN A 86 -0.190 8.657 3.113 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.000 7.135 4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.587 9.125 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.297 8.102 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.997 6.451 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.371 7.647 4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.342 10.058 2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.683 9.938 1.362 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.772 5.790 2.029 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.462 4.541 1.332 1.00 0.00 C ATOM 1344 C CYS A 87 0.457 3.599 2.136 1.00 0.00 C ATOM 1345 O CYS A 87 0.388 2.383 1.944 1.00 0.00 O ATOM 1346 CB CYS A 87 0.116 4.892 -0.049 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.750 3.975 -1.352 1.00 0.00 S ATOM 0 H CYS A 87 -0.446 6.618 1.531 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.383 3.970 1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.023 5.963 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.180 4.656 -0.075 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.248 4.288 -2.510 1.00 0.00 H new ATOM 1353 N GLN A 88 1.231 4.133 3.092 1.00 0.00 N ATOM 1354 CA GLN A 88 1.954 3.322 4.079 1.00 0.00 C ATOM 1355 C GLN A 88 1.016 2.565 5.033 1.00 0.00 C ATOM 1356 O GLN A 88 1.301 1.419 5.382 1.00 0.00 O ATOM 1357 CB GLN A 88 2.943 4.213 4.859 1.00 0.00 C ATOM 1358 CG GLN A 88 3.710 3.426 5.941 1.00 0.00 C ATOM 1359 CD GLN A 88 4.733 4.241 6.725 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.091 5.351 6.373 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.244 3.720 7.821 1.00 0.00 N ATOM 0 H GLN A 88 1.372 5.137 3.202 1.00 0.00 H new ATOM 0 HA GLN A 88 2.508 2.557 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.654 4.658 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.399 5.033 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.990 3.004 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.221 2.588 5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.954 2.792 8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.930 4.245 8.363 1.00 0.00 H new TER 1370 GLN A 88