USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 10 TYR OH : rot -33:sc= 1.68 USER MOD Single : A 20 ASN : amide:sc= -0.821 X(o=-0.82,f=-1.2) USER MOD Single : A 22 MET CE :methyl -124:sc= -1.62 (180deg=-3.75) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= 1.98 (180deg=0.893) USER MOD Single : A 30 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -57:sc= -0.0525 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00113 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 1.24 (180deg=-0.282) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.245 4.750 -0.047 1.00 60.25 N ATOM 21 CA ARG A 2 -11.092 3.836 -0.241 1.00 13.04 C ATOM 22 C ARG A 2 -10.310 4.259 -1.495 1.00 53.55 C ATOM 23 O ARG A 2 -10.869 4.875 -2.401 1.00 71.24 O ATOM 24 CB ARG A 2 -11.554 2.349 -0.365 1.00 30.42 C ATOM 25 CG ARG A 2 -12.171 1.755 0.925 1.00 54.30 C ATOM 26 CD ARG A 2 -12.627 0.291 0.765 1.00 24.02 C ATOM 27 NE ARG A 2 -13.669 0.147 -0.268 1.00 64.24 N ATOM 28 CZ ARG A 2 -14.963 -0.134 -0.049 1.00 42.21 C ATOM 29 NH1 ARG A 2 -15.442 -0.328 1.180 1.00 61.03 N ATOM 30 NH2 ARG A 2 -15.787 -0.181 -1.079 1.00 21.31 N ATOM 0 HA ARG A 2 -10.446 3.906 0.634 1.00 13.04 H new ATOM 0 HB2 ARG A 2 -12.286 2.276 -1.169 1.00 30.42 H new ATOM 0 HB3 ARG A 2 -10.698 1.740 -0.657 1.00 30.42 H new ATOM 0 HG2 ARG A 2 -11.439 1.814 1.730 1.00 54.30 H new ATOM 0 HG3 ARG A 2 -13.024 2.363 1.225 1.00 54.30 H new ATOM 0 HD2 ARG A 2 -11.770 -0.329 0.504 1.00 24.02 H new ATOM 0 HD3 ARG A 2 -13.008 -0.076 1.718 1.00 24.02 H new ATOM 0 HE ARG A 2 -13.380 0.272 -1.238 1.00 64.24 H new ATOM 0 HH11 ARG A 2 -14.820 -0.264 1.986 1.00 61.03 H new ATOM 0 HH12 ARG A 2 -16.431 -0.540 1.314 1.00 61.03 H new ATOM 0 HH21 ARG A 2 -15.437 -0.005 -2.021 1.00 21.31 H new ATOM 0 HH22 ARG A 2 -16.774 -0.393 -0.933 1.00 21.31 H new ATOM 44 N ILE A 3 -9.009 3.935 -1.529 1.00 25.23 N ATOM 45 CA ILE A 3 -8.098 4.300 -2.634 1.00 21.52 C ATOM 46 C ILE A 3 -7.480 3.021 -3.232 1.00 53.42 C ATOM 47 O ILE A 3 -7.084 2.116 -2.496 1.00 74.52 O ATOM 48 CB ILE A 3 -6.983 5.293 -2.105 1.00 10.10 C ATOM 49 CG1 ILE A 3 -7.637 6.657 -1.684 1.00 0.41 C ATOM 50 CG2 ILE A 3 -5.841 5.499 -3.127 1.00 72.32 C ATOM 51 CD1 ILE A 3 -6.676 7.721 -1.187 1.00 63.43 C ATOM 0 H ILE A 3 -8.551 3.407 -0.785 1.00 25.23 H new ATOM 0 HA ILE A 3 -8.652 4.811 -3.421 1.00 21.52 H new ATOM 0 HB ILE A 3 -6.522 4.840 -1.227 1.00 10.10 H new ATOM 0 HG12 ILE A 3 -8.182 7.057 -2.539 1.00 0.41 H new ATOM 0 HG13 ILE A 3 -8.370 6.461 -0.901 1.00 0.41 H new ATOM 0 HG21 ILE A 3 -5.104 6.188 -2.715 1.00 72.32 H new ATOM 0 HG22 ILE A 3 -5.365 4.542 -3.338 1.00 72.32 H new ATOM 0 HG23 ILE A 3 -6.248 5.913 -4.049 1.00 72.32 H new ATOM 0 HD11 ILE A 3 -7.233 8.620 -0.924 1.00 63.43 H new ATOM 0 HD12 ILE A 3 -6.147 7.352 -0.308 1.00 63.43 H new ATOM 0 HD13 ILE A 3 -5.957 7.956 -1.971 1.00 63.43 H new ATOM 63 N LYS A 4 -7.398 2.944 -4.571 1.00 5.40 N ATOM 64 CA LYS A 4 -6.854 1.761 -5.266 1.00 21.44 C ATOM 65 C LYS A 4 -5.336 1.926 -5.437 1.00 31.00 C ATOM 66 O LYS A 4 -4.876 2.995 -5.847 1.00 1.15 O ATOM 67 CB LYS A 4 -7.563 1.557 -6.635 1.00 24.21 C ATOM 68 CG LYS A 4 -7.424 2.717 -7.645 1.00 61.23 C ATOM 69 CD LYS A 4 -8.216 2.466 -8.953 1.00 21.12 C ATOM 70 CE LYS A 4 -9.738 2.381 -8.737 1.00 3.15 C ATOM 71 NZ LYS A 4 -10.459 2.014 -9.986 1.00 63.41 N ATOM 0 H LYS A 4 -7.702 3.689 -5.197 1.00 5.40 H new ATOM 0 HA LYS A 4 -7.042 0.869 -4.669 1.00 21.44 H new ATOM 0 HB2 LYS A 4 -7.169 0.651 -7.095 1.00 24.21 H new ATOM 0 HB3 LYS A 4 -8.624 1.386 -6.451 1.00 24.21 H new ATOM 0 HG2 LYS A 4 -7.775 3.640 -7.183 1.00 61.23 H new ATOM 0 HG3 LYS A 4 -6.370 2.861 -7.884 1.00 61.23 H new ATOM 0 HD2 LYS A 4 -8.001 3.268 -9.659 1.00 21.12 H new ATOM 0 HD3 LYS A 4 -7.868 1.538 -9.408 1.00 21.12 H new ATOM 0 HE2 LYS A 4 -9.954 1.644 -7.964 1.00 3.15 H new ATOM 0 HE3 LYS A 4 -10.107 3.340 -8.374 1.00 3.15 H new ATOM 0 HZ1 LYS A 4 -11.481 1.968 -9.796 1.00 63.41 H new ATOM 0 HZ2 LYS A 4 -10.275 2.731 -10.717 1.00 63.41 H new ATOM 0 HZ3 LYS A 4 -10.126 1.087 -10.319 1.00 63.41 H new ATOM 85 N GLY A 5 -4.560 0.884 -5.088 1.00 13.42 N ATOM 86 CA GLY A 5 -3.092 0.935 -5.179 1.00 15.24 C ATOM 87 C GLY A 5 -2.488 -0.342 -5.733 1.00 4.20 C ATOM 88 O GLY A 5 -2.901 -1.429 -5.359 1.00 64.23 O ATOM 0 H GLY A 5 -4.926 -0.002 -4.741 1.00 13.42 H new ATOM 0 HA2 GLY A 5 -2.802 1.773 -5.813 1.00 15.24 H new ATOM 0 HA3 GLY A 5 -2.678 1.126 -4.189 1.00 15.24 H new ATOM 92 N VAL A 6 -1.496 -0.197 -6.626 1.00 51.02 N ATOM 93 CA VAL A 6 -0.815 -1.321 -7.280 1.00 42.34 C ATOM 94 C VAL A 6 0.520 -1.620 -6.573 1.00 61.22 C ATOM 95 O VAL A 6 1.409 -0.763 -6.530 1.00 41.14 O ATOM 96 CB VAL A 6 -0.581 -1.005 -8.807 1.00 13.25 C ATOM 97 CG1 VAL A 6 0.288 -2.079 -9.506 1.00 74.43 C ATOM 98 CG2 VAL A 6 -1.938 -0.836 -9.530 1.00 25.20 C ATOM 0 H VAL A 6 -1.142 0.715 -6.916 1.00 51.02 H new ATOM 0 HA VAL A 6 -1.447 -2.206 -7.207 1.00 42.34 H new ATOM 0 HB VAL A 6 -0.027 -0.068 -8.866 1.00 13.25 H new ATOM 0 HG11 VAL A 6 0.419 -1.815 -10.555 1.00 74.43 H new ATOM 0 HG12 VAL A 6 1.262 -2.131 -9.020 1.00 74.43 H new ATOM 0 HG13 VAL A 6 -0.205 -3.049 -9.435 1.00 74.43 H new ATOM 0 HG21 VAL A 6 -1.764 -0.618 -10.584 1.00 25.20 H new ATOM 0 HG22 VAL A 6 -2.515 -1.756 -9.440 1.00 25.20 H new ATOM 0 HG23 VAL A 6 -2.492 -0.014 -9.076 1.00 25.20 H new ATOM 108 N VAL A 7 0.617 -2.836 -6.000 1.00 32.11 N ATOM 109 CA VAL A 7 1.838 -3.369 -5.377 1.00 25.31 C ATOM 110 C VAL A 7 2.999 -3.398 -6.392 1.00 30.52 C ATOM 111 O VAL A 7 2.999 -4.207 -7.325 1.00 3.21 O ATOM 112 CB VAL A 7 1.600 -4.825 -4.814 1.00 73.42 C ATOM 113 CG1 VAL A 7 2.866 -5.382 -4.117 1.00 22.11 C ATOM 114 CG2 VAL A 7 0.371 -4.871 -3.872 1.00 71.11 C ATOM 0 H VAL A 7 -0.168 -3.485 -5.958 1.00 32.11 H new ATOM 0 HA VAL A 7 2.098 -2.709 -4.550 1.00 25.31 H new ATOM 0 HB VAL A 7 1.388 -5.472 -5.665 1.00 73.42 H new ATOM 0 HG11 VAL A 7 2.664 -6.385 -3.743 1.00 22.11 H new ATOM 0 HG12 VAL A 7 3.688 -5.420 -4.832 1.00 22.11 H new ATOM 0 HG13 VAL A 7 3.139 -4.733 -3.285 1.00 22.11 H new ATOM 0 HG21 VAL A 7 0.234 -5.887 -3.501 1.00 71.11 H new ATOM 0 HG22 VAL A 7 0.532 -4.197 -3.031 1.00 71.11 H new ATOM 0 HG23 VAL A 7 -0.519 -4.562 -4.420 1.00 71.11 H new ATOM 124 N LEU A 8 3.949 -2.479 -6.218 1.00 74.22 N ATOM 125 CA LEU A 8 5.171 -2.418 -7.028 1.00 50.32 C ATOM 126 C LEU A 8 6.148 -3.522 -6.592 1.00 4.20 C ATOM 127 O LEU A 8 6.640 -4.303 -7.419 1.00 40.21 O ATOM 128 CB LEU A 8 5.841 -1.031 -6.858 1.00 70.32 C ATOM 129 CG LEU A 8 4.969 0.209 -7.211 1.00 44.14 C ATOM 130 CD1 LEU A 8 5.728 1.522 -6.906 1.00 44.31 C ATOM 131 CD2 LEU A 8 4.478 0.158 -8.679 1.00 41.02 C ATOM 0 H LEU A 8 3.894 -1.750 -5.507 1.00 74.22 H new ATOM 0 HA LEU A 8 4.910 -2.568 -8.076 1.00 50.32 H new ATOM 0 HB2 LEU A 8 6.168 -0.935 -5.823 1.00 70.32 H new ATOM 0 HB3 LEU A 8 6.737 -1.006 -7.479 1.00 70.32 H new ATOM 0 HG LEU A 8 4.082 0.186 -6.578 1.00 44.14 H new ATOM 0 HD11 LEU A 8 5.098 2.374 -7.161 1.00 44.31 H new ATOM 0 HD12 LEU A 8 5.978 1.560 -5.846 1.00 44.31 H new ATOM 0 HD13 LEU A 8 6.644 1.558 -7.496 1.00 44.31 H new ATOM 0 HD21 LEU A 8 3.872 1.039 -8.891 1.00 41.02 H new ATOM 0 HD22 LEU A 8 5.337 0.139 -9.350 1.00 41.02 H new ATOM 0 HD23 LEU A 8 3.879 -0.740 -8.831 1.00 41.02 H new ATOM 143 N SER A 9 6.389 -3.581 -5.271 1.00 11.31 N ATOM 144 CA SER A 9 7.406 -4.458 -4.671 1.00 10.11 C ATOM 145 C SER A 9 7.043 -4.793 -3.210 1.00 51.55 C ATOM 146 O SER A 9 6.086 -4.245 -2.648 1.00 31.01 O ATOM 147 CB SER A 9 8.795 -3.769 -4.765 1.00 14.31 C ATOM 148 OG SER A 9 9.843 -4.617 -4.317 1.00 14.44 O ATOM 0 H SER A 9 5.881 -3.019 -4.588 1.00 11.31 H new ATOM 0 HA SER A 9 7.443 -5.399 -5.219 1.00 10.11 H new ATOM 0 HB2 SER A 9 8.984 -3.474 -5.797 1.00 14.31 H new ATOM 0 HB3 SER A 9 8.788 -2.856 -4.169 1.00 14.31 H new ATOM 0 HG SER A 9 10.700 -4.147 -4.394 1.00 14.44 H new ATOM 154 N TYR A 10 7.814 -5.721 -2.615 1.00 32.04 N ATOM 155 CA TYR A 10 7.711 -6.098 -1.194 1.00 71.53 C ATOM 156 C TYR A 10 9.062 -5.817 -0.532 1.00 21.24 C ATOM 157 O TYR A 10 10.089 -6.342 -0.986 1.00 4.33 O ATOM 158 CB TYR A 10 7.360 -7.609 -1.035 1.00 24.10 C ATOM 159 CG TYR A 10 6.070 -8.030 -1.750 1.00 21.25 C ATOM 160 CD1 TYR A 10 4.817 -7.797 -1.178 1.00 33.55 C ATOM 161 CD2 TYR A 10 6.100 -8.637 -3.010 1.00 5.30 C ATOM 162 CE1 TYR A 10 3.657 -8.157 -1.833 1.00 13.12 C ATOM 163 CE2 TYR A 10 4.936 -8.988 -3.667 1.00 51.14 C ATOM 164 CZ TYR A 10 3.724 -8.745 -3.075 1.00 64.23 C ATOM 165 OH TYR A 10 2.565 -9.069 -3.737 1.00 53.51 O ATOM 0 H TYR A 10 8.537 -6.238 -3.116 1.00 32.04 H new ATOM 0 HA TYR A 10 6.916 -5.519 -0.724 1.00 71.53 H new ATOM 0 HB2 TYR A 10 8.187 -8.206 -1.419 1.00 24.10 H new ATOM 0 HB3 TYR A 10 7.267 -7.840 0.026 1.00 24.10 H new ATOM 0 HD1 TYR A 10 4.755 -7.327 -0.207 1.00 33.55 H new ATOM 0 HD2 TYR A 10 7.052 -8.835 -3.479 1.00 5.30 H new ATOM 0 HE1 TYR A 10 2.697 -7.977 -1.371 1.00 13.12 H new ATOM 0 HE2 TYR A 10 4.981 -9.451 -4.642 1.00 51.14 H new ATOM 0 HH TYR A 10 1.877 -9.324 -3.087 1.00 53.51 H new ATOM 175 N ARG A 11 9.067 -4.988 0.515 1.00 63.11 N ATOM 176 CA ARG A 11 10.281 -4.743 1.309 1.00 43.53 C ATOM 177 C ARG A 11 10.146 -5.574 2.593 1.00 22.31 C ATOM 178 O ARG A 11 9.417 -5.204 3.505 1.00 41.15 O ATOM 179 CB ARG A 11 10.406 -3.221 1.624 1.00 14.52 C ATOM 180 CG ARG A 11 11.649 -2.808 2.470 1.00 32.15 C ATOM 181 CD ARG A 11 12.958 -2.737 1.663 1.00 21.24 C ATOM 182 NE ARG A 11 13.342 -4.029 1.045 1.00 42.15 N ATOM 183 CZ ARG A 11 13.859 -4.172 -0.190 1.00 70.52 C ATOM 184 NH1 ARG A 11 14.071 -3.115 -0.974 1.00 32.21 N ATOM 185 NH2 ARG A 11 14.142 -5.383 -0.649 1.00 32.32 N ATOM 0 H ARG A 11 8.246 -4.474 0.835 1.00 63.11 H new ATOM 0 HA ARG A 11 11.182 -5.033 0.769 1.00 43.53 H new ATOM 0 HB2 ARG A 11 10.432 -2.674 0.681 1.00 14.52 H new ATOM 0 HB3 ARG A 11 9.507 -2.903 2.152 1.00 14.52 H new ATOM 0 HG2 ARG A 11 11.460 -1.835 2.924 1.00 32.15 H new ATOM 0 HG3 ARG A 11 11.774 -3.521 3.285 1.00 32.15 H new ATOM 0 HD2 ARG A 11 12.853 -1.986 0.880 1.00 21.24 H new ATOM 0 HD3 ARG A 11 13.762 -2.404 2.319 1.00 21.24 H new ATOM 0 HE ARG A 11 13.204 -4.875 1.598 1.00 42.15 H new ATOM 0 HH11 ARG A 11 13.841 -2.179 -0.641 1.00 32.21 H new ATOM 0 HH12 ARG A 11 14.463 -3.242 -1.907 1.00 32.21 H new ATOM 0 HH21 ARG A 11 13.968 -6.202 -0.067 1.00 32.32 H new ATOM 0 HH22 ARG A 11 14.534 -5.495 -1.584 1.00 32.32 H new ATOM 334 N ASN A 20 6.887 -6.428 8.305 1.00 44.25 N ATOM 335 CA ASN A 20 7.073 -6.484 6.845 1.00 72.13 C ATOM 336 C ASN A 20 6.390 -5.280 6.168 1.00 30.30 C ATOM 337 O ASN A 20 5.269 -4.901 6.514 1.00 64.43 O ATOM 338 CB ASN A 20 6.531 -7.822 6.257 1.00 22.54 C ATOM 339 CG ASN A 20 6.653 -7.921 4.714 1.00 31.33 C ATOM 340 OD1 ASN A 20 7.544 -7.350 4.109 1.00 22.31 O ATOM 341 ND2 ASN A 20 5.775 -8.666 4.066 1.00 71.12 N ATOM 0 HA ASN A 20 8.143 -6.439 6.641 1.00 72.13 H new ATOM 0 HB2 ASN A 20 7.073 -8.653 6.709 1.00 22.54 H new ATOM 0 HB3 ASN A 20 5.484 -7.934 6.538 1.00 22.54 H new ATOM 0 HD21 ASN A 20 5.840 -8.766 3.053 1.00 71.12 H new ATOM 0 HD22 ASN A 20 5.032 -9.141 4.579 1.00 71.12 H new ATOM 348 N VAL A 21 7.106 -4.716 5.194 1.00 35.21 N ATOM 349 CA VAL A 21 6.722 -3.533 4.421 1.00 23.43 C ATOM 350 C VAL A 21 6.286 -3.957 2.994 1.00 30.12 C ATOM 351 O VAL A 21 6.712 -4.999 2.484 1.00 4.34 O ATOM 352 CB VAL A 21 7.962 -2.562 4.334 1.00 70.34 C ATOM 353 CG1 VAL A 21 7.652 -1.295 3.528 1.00 14.11 C ATOM 354 CG2 VAL A 21 8.513 -2.214 5.735 1.00 74.51 C ATOM 0 H VAL A 21 8.012 -5.089 4.909 1.00 35.21 H new ATOM 0 HA VAL A 21 5.888 -3.027 4.907 1.00 23.43 H new ATOM 0 HB VAL A 21 8.742 -3.100 3.795 1.00 70.34 H new ATOM 0 HG11 VAL A 21 8.536 -0.658 3.497 1.00 14.11 H new ATOM 0 HG12 VAL A 21 7.367 -1.570 2.513 1.00 14.11 H new ATOM 0 HG13 VAL A 21 6.832 -0.754 4.001 1.00 14.11 H new ATOM 0 HG21 VAL A 21 9.366 -1.543 5.634 1.00 74.51 H new ATOM 0 HG22 VAL A 21 7.735 -1.725 6.321 1.00 74.51 H new ATOM 0 HG23 VAL A 21 8.827 -3.128 6.240 1.00 74.51 H new ATOM 364 N MET A 22 5.456 -3.129 2.354 1.00 52.35 N ATOM 365 CA MET A 22 5.034 -3.315 0.965 1.00 71.44 C ATOM 366 C MET A 22 5.059 -1.954 0.258 1.00 15.35 C ATOM 367 O MET A 22 4.499 -0.973 0.770 1.00 44.23 O ATOM 368 CB MET A 22 3.623 -3.944 0.924 1.00 65.42 C ATOM 369 CG MET A 22 3.087 -4.236 -0.483 1.00 53.31 C ATOM 370 SD MET A 22 1.413 -4.915 -0.472 1.00 64.24 S ATOM 371 CE MET A 22 1.605 -6.368 0.560 1.00 30.35 C ATOM 0 H MET A 22 5.054 -2.300 2.792 1.00 52.35 H new ATOM 0 HA MET A 22 5.714 -3.993 0.449 1.00 71.44 H new ATOM 0 HB2 MET A 22 3.639 -4.875 1.491 1.00 65.42 H new ATOM 0 HB3 MET A 22 2.928 -3.274 1.430 1.00 65.42 H new ATOM 0 HG2 MET A 22 3.097 -3.316 -1.068 1.00 53.31 H new ATOM 0 HG3 MET A 22 3.755 -4.938 -0.982 1.00 53.31 H new ATOM 0 HE1 MET A 22 1.271 -7.250 0.013 1.00 30.35 H new ATOM 0 HE2 MET A 22 2.654 -6.486 0.831 1.00 30.35 H new ATOM 0 HE3 MET A 22 1.007 -6.254 1.464 1.00 30.35 H new ATOM 381 N ILE A 23 5.751 -1.898 -0.891 1.00 25.33 N ATOM 382 CA ILE A 23 5.847 -0.692 -1.726 1.00 62.43 C ATOM 383 C ILE A 23 4.661 -0.682 -2.706 1.00 45.23 C ATOM 384 O ILE A 23 4.582 -1.530 -3.598 1.00 72.34 O ATOM 385 CB ILE A 23 7.220 -0.644 -2.506 1.00 15.42 C ATOM 386 CG1 ILE A 23 8.433 -0.796 -1.520 1.00 50.42 C ATOM 387 CG2 ILE A 23 7.352 0.648 -3.359 1.00 22.51 C ATOM 388 CD1 ILE A 23 8.524 0.265 -0.424 1.00 55.04 C ATOM 0 H ILE A 23 6.263 -2.695 -1.269 1.00 25.33 H new ATOM 0 HA ILE A 23 5.810 0.193 -1.091 1.00 62.43 H new ATOM 0 HB ILE A 23 7.234 -1.490 -3.193 1.00 15.42 H new ATOM 0 HG12 ILE A 23 8.375 -1.777 -1.048 1.00 50.42 H new ATOM 0 HG13 ILE A 23 9.356 -0.775 -2.100 1.00 50.42 H new ATOM 0 HG21 ILE A 23 8.309 0.644 -3.880 1.00 22.51 H new ATOM 0 HG22 ILE A 23 6.542 0.687 -4.088 1.00 22.51 H new ATOM 0 HG23 ILE A 23 7.297 1.521 -2.708 1.00 22.51 H new ATOM 0 HD11 ILE A 23 9.395 0.069 0.201 1.00 55.04 H new ATOM 0 HD12 ILE A 23 8.619 1.251 -0.879 1.00 55.04 H new ATOM 0 HD13 ILE A 23 7.623 0.233 0.189 1.00 55.04 H new ATOM 400 N ILE A 24 3.732 0.256 -2.490 1.00 24.13 N ATOM 401 CA ILE A 24 2.471 0.373 -3.253 1.00 0.32 C ATOM 402 C ILE A 24 2.456 1.725 -3.997 1.00 42.43 C ATOM 403 O ILE A 24 3.049 2.694 -3.521 1.00 14.13 O ATOM 404 CB ILE A 24 1.244 0.272 -2.258 1.00 2.23 C ATOM 405 CG1 ILE A 24 1.285 -1.080 -1.470 1.00 10.43 C ATOM 406 CG2 ILE A 24 -0.109 0.456 -2.985 1.00 53.41 C ATOM 407 CD1 ILE A 24 0.255 -1.214 -0.360 1.00 75.02 C ATOM 0 H ILE A 24 3.831 0.971 -1.769 1.00 24.13 H new ATOM 0 HA ILE A 24 2.396 -0.434 -3.982 1.00 0.32 H new ATOM 0 HB ILE A 24 1.332 1.090 -1.543 1.00 2.23 H new ATOM 0 HG12 ILE A 24 1.143 -1.898 -2.176 1.00 10.43 H new ATOM 0 HG13 ILE A 24 2.279 -1.200 -1.038 1.00 10.43 H new ATOM 0 HG21 ILE A 24 -0.923 0.379 -2.264 1.00 53.41 H new ATOM 0 HG22 ILE A 24 -0.136 1.437 -3.460 1.00 53.41 H new ATOM 0 HG23 ILE A 24 -0.222 -0.318 -3.744 1.00 53.41 H new ATOM 0 HD11 ILE A 24 0.366 -2.184 0.124 1.00 75.02 H new ATOM 0 HD12 ILE A 24 0.406 -0.423 0.374 1.00 75.02 H new ATOM 0 HD13 ILE A 24 -0.747 -1.131 -0.781 1.00 75.02 H new ATOM 419 N LYS A 25 1.792 1.779 -5.173 1.00 50.12 N ATOM 420 CA LYS A 25 1.583 3.027 -5.934 1.00 40.05 C ATOM 421 C LYS A 25 0.064 3.203 -6.159 1.00 20.15 C ATOM 422 O LYS A 25 -0.498 2.566 -7.058 1.00 44.33 O ATOM 423 CB LYS A 25 2.352 3.008 -7.305 1.00 15.13 C ATOM 424 CG LYS A 25 3.154 4.292 -7.635 1.00 41.11 C ATOM 425 CD LYS A 25 2.315 5.594 -7.628 1.00 5.42 C ATOM 426 CE LYS A 25 1.243 5.653 -8.729 1.00 71.14 C ATOM 427 NZ LYS A 25 0.498 6.944 -8.690 1.00 63.54 N ATOM 0 H LYS A 25 1.386 0.957 -5.620 1.00 50.12 H new ATOM 0 HA LYS A 25 1.981 3.868 -5.366 1.00 40.05 H new ATOM 0 HB2 LYS A 25 3.038 2.161 -7.306 1.00 15.13 H new ATOM 0 HB3 LYS A 25 1.631 2.835 -8.104 1.00 15.13 H new ATOM 0 HG2 LYS A 25 3.965 4.394 -6.914 1.00 41.11 H new ATOM 0 HG3 LYS A 25 3.613 4.176 -8.617 1.00 41.11 H new ATOM 0 HD2 LYS A 25 1.830 5.696 -6.657 1.00 5.42 H new ATOM 0 HD3 LYS A 25 2.985 6.446 -7.741 1.00 5.42 H new ATOM 0 HE2 LYS A 25 1.713 5.531 -9.705 1.00 71.14 H new ATOM 0 HE3 LYS A 25 0.546 4.824 -8.606 1.00 71.14 H new ATOM 0 HZ1 LYS A 25 0.181 7.191 -9.649 1.00 63.54 H new ATOM 0 HZ2 LYS A 25 -0.329 6.849 -8.066 1.00 63.54 H new ATOM 0 HZ3 LYS A 25 1.121 7.694 -8.327 1.00 63.54 H new ATOM 441 N PRO A 26 -0.635 4.022 -5.315 1.00 55.34 N ATOM 442 CA PRO A 26 -2.056 4.374 -5.530 1.00 50.21 C ATOM 443 C PRO A 26 -2.290 5.118 -6.868 1.00 1.11 C ATOM 444 O PRO A 26 -1.644 6.132 -7.132 1.00 23.02 O ATOM 445 CB PRO A 26 -2.404 5.250 -4.299 1.00 51.21 C ATOM 446 CG PRO A 26 -1.362 4.927 -3.274 1.00 21.24 C ATOM 447 CD PRO A 26 -0.109 4.629 -4.063 1.00 42.23 C ATOM 0 HA PRO A 26 -2.694 3.494 -5.612 1.00 50.21 H new ATOM 0 HB2 PRO A 26 -2.389 6.310 -4.554 1.00 51.21 H new ATOM 0 HB3 PRO A 26 -3.404 5.026 -3.927 1.00 51.21 H new ATOM 0 HG2 PRO A 26 -1.208 5.763 -2.592 1.00 21.24 H new ATOM 0 HG3 PRO A 26 -1.658 4.071 -2.667 1.00 21.24 H new ATOM 0 HD2 PRO A 26 0.465 5.533 -4.264 1.00 42.23 H new ATOM 0 HD3 PRO A 26 0.550 3.945 -3.529 1.00 42.23 H new ATOM 455 N LEU A 27 -3.213 4.593 -7.704 1.00 22.51 N ATOM 456 CA LEU A 27 -3.451 5.090 -9.081 1.00 11.33 C ATOM 457 C LEU A 27 -4.023 6.520 -9.102 1.00 23.14 C ATOM 458 O LEU A 27 -3.600 7.353 -9.910 1.00 64.11 O ATOM 459 CB LEU A 27 -4.400 4.121 -9.844 1.00 4.33 C ATOM 460 CG LEU A 27 -3.870 2.662 -10.040 1.00 34.54 C ATOM 461 CD1 LEU A 27 -4.890 1.792 -10.812 1.00 50.43 C ATOM 462 CD2 LEU A 27 -2.489 2.654 -10.735 1.00 74.31 C ATOM 0 H LEU A 27 -3.815 3.812 -7.444 1.00 22.51 H new ATOM 0 HA LEU A 27 -2.483 5.125 -9.581 1.00 11.33 H new ATOM 0 HB2 LEU A 27 -5.348 4.074 -9.308 1.00 4.33 H new ATOM 0 HB3 LEU A 27 -4.610 4.546 -10.826 1.00 4.33 H new ATOM 0 HG LEU A 27 -3.744 2.223 -9.050 1.00 34.54 H new ATOM 0 HD11 LEU A 27 -4.492 0.784 -10.932 1.00 50.43 H new ATOM 0 HD12 LEU A 27 -5.826 1.749 -10.255 1.00 50.43 H new ATOM 0 HD13 LEU A 27 -5.072 2.229 -11.794 1.00 50.43 H new ATOM 0 HD21 LEU A 27 -2.149 1.626 -10.856 1.00 74.31 H new ATOM 0 HD22 LEU A 27 -2.571 3.127 -11.714 1.00 74.31 H new ATOM 0 HD23 LEU A 27 -1.772 3.204 -10.126 1.00 74.31 H new ATOM 474 N ASP A 28 -4.979 6.785 -8.196 1.00 2.23 N ATOM 475 CA ASP A 28 -5.673 8.094 -8.091 1.00 44.12 C ATOM 476 C ASP A 28 -4.908 9.085 -7.175 1.00 33.34 C ATOM 477 O ASP A 28 -5.362 10.215 -6.974 1.00 73.22 O ATOM 478 CB ASP A 28 -7.136 7.874 -7.603 1.00 70.15 C ATOM 479 CG ASP A 28 -7.228 7.147 -6.248 1.00 61.05 C ATOM 480 OD1 ASP A 28 -7.212 5.890 -6.235 1.00 73.05 O ATOM 481 OD2 ASP A 28 -7.325 7.821 -5.195 1.00 45.44 O ATOM 0 H ASP A 28 -5.298 6.100 -7.511 1.00 2.23 H new ATOM 0 HA ASP A 28 -5.698 8.550 -9.081 1.00 44.12 H new ATOM 0 HB2 ASP A 28 -7.633 8.841 -7.522 1.00 70.15 H new ATOM 0 HB3 ASP A 28 -7.678 7.298 -8.353 1.00 70.15 H new ATOM 486 N VAL A 29 -3.751 8.642 -6.633 1.00 21.11 N ATOM 487 CA VAL A 29 -2.827 9.482 -5.837 1.00 34.41 C ATOM 488 C VAL A 29 -1.509 9.624 -6.616 1.00 23.42 C ATOM 489 O VAL A 29 -0.736 8.666 -6.740 1.00 5.04 O ATOM 490 CB VAL A 29 -2.572 8.839 -4.423 1.00 40.01 C ATOM 491 CG1 VAL A 29 -1.452 9.547 -3.636 1.00 25.23 C ATOM 492 CG2 VAL A 29 -3.873 8.788 -3.598 1.00 35.31 C ATOM 0 H VAL A 29 -3.429 7.680 -6.737 1.00 21.11 H new ATOM 0 HA VAL A 29 -3.267 10.466 -5.675 1.00 34.41 H new ATOM 0 HB VAL A 29 -2.231 7.820 -4.603 1.00 40.01 H new ATOM 0 HG11 VAL A 29 -1.322 9.059 -2.670 1.00 25.23 H new ATOM 0 HG12 VAL A 29 -0.520 9.491 -4.199 1.00 25.23 H new ATOM 0 HG13 VAL A 29 -1.720 10.592 -3.482 1.00 25.23 H new ATOM 0 HG21 VAL A 29 -3.670 8.340 -2.626 1.00 35.31 H new ATOM 0 HG22 VAL A 29 -4.255 9.799 -3.459 1.00 35.31 H new ATOM 0 HG23 VAL A 29 -4.615 8.189 -4.126 1.00 35.31 H new ATOM 502 N ASN A 30 -1.274 10.824 -7.159 1.00 21.33 N ATOM 503 CA ASN A 30 -0.133 11.101 -8.064 1.00 0.31 C ATOM 504 C ASN A 30 0.764 12.220 -7.522 1.00 53.13 C ATOM 505 O ASN A 30 1.711 12.641 -8.198 1.00 40.02 O ATOM 506 CB ASN A 30 -0.662 11.449 -9.480 1.00 74.02 C ATOM 507 CG ASN A 30 -1.380 10.273 -10.146 1.00 71.04 C ATOM 508 OD1 ASN A 30 -0.774 9.490 -10.879 1.00 72.14 O ATOM 509 ND2 ASN A 30 -2.664 10.131 -9.868 1.00 13.22 N ATOM 0 H ASN A 30 -1.866 11.637 -6.988 1.00 21.33 H new ATOM 0 HA ASN A 30 0.482 10.203 -8.124 1.00 0.31 H new ATOM 0 HB2 ASN A 30 -1.346 12.295 -9.410 1.00 74.02 H new ATOM 0 HB3 ASN A 30 0.172 11.764 -10.108 1.00 74.02 H new ATOM 0 HD21 ASN A 30 -3.189 9.352 -10.265 1.00 13.22 H new ATOM 0 HD22 ASN A 30 -3.130 10.801 -9.256 1.00 13.22 H new ATOM 516 N SER A 31 0.477 12.672 -6.290 1.00 45.32 N ATOM 517 CA SER A 31 1.271 13.690 -5.585 1.00 70.41 C ATOM 518 C SER A 31 1.646 13.152 -4.190 1.00 4.23 C ATOM 519 O SER A 31 0.837 12.460 -3.554 1.00 3.44 O ATOM 520 CB SER A 31 0.474 15.016 -5.474 1.00 63.23 C ATOM 521 OG SER A 31 0.028 15.442 -6.748 1.00 53.34 O ATOM 0 H SER A 31 -0.321 12.337 -5.751 1.00 45.32 H new ATOM 0 HA SER A 31 2.183 13.899 -6.144 1.00 70.41 H new ATOM 0 HB2 SER A 31 -0.381 14.878 -4.812 1.00 63.23 H new ATOM 0 HB3 SER A 31 1.102 15.787 -5.027 1.00 63.23 H new ATOM 0 HG SER A 31 -0.474 16.279 -6.656 1.00 53.34 H new ATOM 527 N ARG A 32 2.879 13.475 -3.737 1.00 43.40 N ATOM 528 CA ARG A 32 3.384 13.127 -2.387 1.00 24.31 C ATOM 529 C ARG A 32 2.465 13.698 -1.279 1.00 41.00 C ATOM 530 O ARG A 32 2.297 13.065 -0.246 1.00 74.51 O ATOM 531 CB ARG A 32 4.837 13.669 -2.186 1.00 44.22 C ATOM 532 CG ARG A 32 5.417 13.479 -0.755 1.00 12.32 C ATOM 533 CD ARG A 32 6.758 14.202 -0.544 1.00 71.34 C ATOM 534 NE ARG A 32 7.121 14.247 0.887 1.00 64.51 N ATOM 535 CZ ARG A 32 8.007 15.089 1.453 1.00 25.44 C ATOM 536 NH1 ARG A 32 8.677 15.983 0.733 1.00 61.00 N ATOM 537 NH2 ARG A 32 8.196 15.053 2.765 1.00 55.50 N ATOM 0 H ARG A 32 3.557 13.988 -4.301 1.00 43.40 H new ATOM 0 HA ARG A 32 3.390 12.040 -2.311 1.00 24.31 H new ATOM 0 HB2 ARG A 32 5.496 13.172 -2.898 1.00 44.22 H new ATOM 0 HB3 ARG A 32 4.849 14.732 -2.429 1.00 44.22 H new ATOM 0 HG2 ARG A 32 4.695 13.846 -0.026 1.00 12.32 H new ATOM 0 HG3 ARG A 32 5.551 12.415 -0.563 1.00 12.32 H new ATOM 0 HD2 ARG A 32 7.541 13.692 -1.105 1.00 71.34 H new ATOM 0 HD3 ARG A 32 6.693 15.216 -0.938 1.00 71.34 H new ATOM 0 HE ARG A 32 6.658 13.579 1.503 1.00 64.51 H new ATOM 0 HH11 ARG A 32 8.526 16.043 -0.274 1.00 61.00 H new ATOM 0 HH12 ARG A 32 9.342 16.609 1.187 1.00 61.00 H new ATOM 0 HH21 ARG A 32 7.672 14.391 3.338 1.00 55.50 H new ATOM 0 HH22 ARG A 32 8.865 15.687 3.201 1.00 55.50 H new ATOM 551 N GLU A 33 1.885 14.899 -1.533 1.00 33.54 N ATOM 552 CA GLU A 33 0.985 15.598 -0.578 1.00 12.40 C ATOM 553 C GLU A 33 -0.264 14.756 -0.246 1.00 62.51 C ATOM 554 O GLU A 33 -0.670 14.647 0.924 1.00 14.33 O ATOM 555 CB GLU A 33 0.562 16.974 -1.157 1.00 21.42 C ATOM 556 CG GLU A 33 1.734 17.954 -1.374 1.00 52.32 C ATOM 557 CD GLU A 33 1.270 19.310 -1.906 1.00 14.24 C ATOM 558 OE1 GLU A 33 1.088 19.442 -3.126 1.00 45.53 O ATOM 559 OE2 GLU A 33 1.054 20.246 -1.107 1.00 44.41 O ATOM 0 H GLU A 33 2.028 15.410 -2.404 1.00 33.54 H new ATOM 0 HA GLU A 33 1.538 15.748 0.349 1.00 12.40 H new ATOM 0 HB2 GLU A 33 0.055 16.815 -2.108 1.00 21.42 H new ATOM 0 HB3 GLU A 33 -0.161 17.433 -0.483 1.00 21.42 H new ATOM 0 HG2 GLU A 33 2.262 18.098 -0.432 1.00 52.32 H new ATOM 0 HG3 GLU A 33 2.445 17.516 -2.075 1.00 52.32 H new ATOM 566 N GLU A 34 -0.835 14.141 -1.297 1.00 21.12 N ATOM 567 CA GLU A 34 -2.001 13.249 -1.184 1.00 12.34 C ATOM 568 C GLU A 34 -1.615 12.004 -0.358 1.00 4.34 C ATOM 569 O GLU A 34 -2.340 11.602 0.538 1.00 33.40 O ATOM 570 CB GLU A 34 -2.489 12.829 -2.585 1.00 71.11 C ATOM 571 CG GLU A 34 -2.839 13.979 -3.533 1.00 71.24 C ATOM 572 CD GLU A 34 -3.251 13.460 -4.916 1.00 13.14 C ATOM 573 OE1 GLU A 34 -4.438 13.135 -5.110 1.00 1.30 O ATOM 574 OE2 GLU A 34 -2.385 13.333 -5.804 1.00 70.04 O ATOM 0 H GLU A 34 -0.498 14.250 -2.254 1.00 21.12 H new ATOM 0 HA GLU A 34 -2.811 13.778 -0.681 1.00 12.34 H new ATOM 0 HB2 GLU A 34 -1.716 12.219 -3.052 1.00 71.11 H new ATOM 0 HB3 GLU A 34 -3.369 12.196 -2.470 1.00 71.11 H new ATOM 0 HG2 GLU A 34 -3.651 14.569 -3.108 1.00 71.24 H new ATOM 0 HG3 GLU A 34 -1.981 14.644 -3.633 1.00 71.24 H new ATOM 581 N ALA A 35 -0.425 11.449 -0.668 1.00 43.00 N ATOM 582 CA ALA A 35 0.156 10.299 0.059 1.00 11.22 C ATOM 583 C ALA A 35 0.535 10.678 1.516 1.00 70.11 C ATOM 584 O ALA A 35 0.550 9.819 2.408 1.00 72.21 O ATOM 585 CB ALA A 35 1.381 9.760 -0.706 1.00 42.40 C ATOM 0 H ALA A 35 0.162 11.786 -1.431 1.00 43.00 H new ATOM 0 HA ALA A 35 -0.598 9.514 0.116 1.00 11.22 H new ATOM 0 HB1 ALA A 35 1.804 8.913 -0.165 1.00 42.40 H new ATOM 0 HB2 ALA A 35 1.076 9.439 -1.702 1.00 42.40 H new ATOM 0 HB3 ALA A 35 2.131 10.546 -0.793 1.00 42.40 H new ATOM 591 N SER A 36 0.811 11.982 1.739 1.00 40.23 N ATOM 592 CA SER A 36 1.284 12.527 3.033 1.00 52.40 C ATOM 593 C SER A 36 0.149 12.564 4.052 1.00 42.54 C ATOM 594 O SER A 36 0.383 12.397 5.254 1.00 74.15 O ATOM 595 CB SER A 36 1.885 13.940 2.832 1.00 52.34 C ATOM 596 OG SER A 36 2.424 14.485 4.034 1.00 4.10 O ATOM 0 H SER A 36 0.711 12.695 1.017 1.00 40.23 H new ATOM 0 HA SER A 36 2.063 11.870 3.420 1.00 52.40 H new ATOM 0 HB2 SER A 36 2.669 13.893 2.076 1.00 52.34 H new ATOM 0 HB3 SER A 36 1.113 14.608 2.449 1.00 52.34 H new ATOM 0 HG SER A 36 2.792 15.375 3.853 1.00 4.10 H new ATOM 602 N LYS A 37 -1.079 12.814 3.574 1.00 54.50 N ATOM 603 CA LYS A 37 -2.282 12.723 4.423 1.00 0.45 C ATOM 604 C LYS A 37 -2.834 11.283 4.482 1.00 22.21 C ATOM 605 O LYS A 37 -3.800 11.026 5.200 1.00 75.24 O ATOM 606 CB LYS A 37 -3.368 13.727 3.954 1.00 3.24 C ATOM 607 CG LYS A 37 -3.870 13.521 2.507 1.00 21.13 C ATOM 608 CD LYS A 37 -4.910 14.581 2.071 1.00 3.10 C ATOM 609 CE LYS A 37 -4.358 16.018 2.093 1.00 0.53 C ATOM 610 NZ LYS A 37 -5.411 17.024 1.778 1.00 31.32 N ATOM 0 H LYS A 37 -1.268 13.080 2.608 1.00 54.50 H new ATOM 0 HA LYS A 37 -1.989 12.994 5.437 1.00 0.45 H new ATOM 0 HB2 LYS A 37 -4.220 13.659 4.631 1.00 3.24 H new ATOM 0 HB3 LYS A 37 -2.969 14.738 4.043 1.00 3.24 H new ATOM 0 HG2 LYS A 37 -3.020 13.552 1.825 1.00 21.13 H new ATOM 0 HG3 LYS A 37 -4.312 12.529 2.420 1.00 21.13 H new ATOM 0 HD2 LYS A 37 -5.257 14.347 1.064 1.00 3.10 H new ATOM 0 HD3 LYS A 37 -5.777 14.522 2.729 1.00 3.10 H new ATOM 0 HE2 LYS A 37 -3.936 16.230 3.076 1.00 0.53 H new ATOM 0 HE3 LYS A 37 -3.545 16.106 1.372 1.00 0.53 H new ATOM 0 HZ1 LYS A 37 -4.998 17.978 1.803 1.00 31.32 H new ATOM 0 HZ2 LYS A 37 -5.796 16.838 0.830 1.00 31.32 H new ATOM 0 HZ3 LYS A 37 -6.175 16.959 2.481 1.00 31.32 H new ATOM 624 N LEU A 38 -2.209 10.340 3.729 1.00 24.25 N ATOM 625 CA LEU A 38 -2.562 8.904 3.794 1.00 13.03 C ATOM 626 C LEU A 38 -1.807 8.174 4.917 1.00 12.04 C ATOM 627 O LEU A 38 -2.034 6.974 5.117 1.00 32.02 O ATOM 628 CB LEU A 38 -2.327 8.184 2.435 1.00 54.50 C ATOM 629 CG LEU A 38 -3.252 8.615 1.257 1.00 2.33 C ATOM 630 CD1 LEU A 38 -3.012 7.738 0.001 1.00 51.54 C ATOM 631 CD2 LEU A 38 -4.738 8.622 1.689 1.00 42.14 C ATOM 0 H LEU A 38 -1.459 10.552 3.071 1.00 24.25 H new ATOM 0 HA LEU A 38 -3.628 8.865 4.020 1.00 13.03 H new ATOM 0 HB2 LEU A 38 -1.292 8.348 2.135 1.00 54.50 H new ATOM 0 HB3 LEU A 38 -2.448 7.112 2.590 1.00 54.50 H new ATOM 0 HG LEU A 38 -2.993 9.638 0.982 1.00 2.33 H new ATOM 0 HD11 LEU A 38 -3.673 8.064 -0.802 1.00 51.54 H new ATOM 0 HD12 LEU A 38 -1.975 7.837 -0.319 1.00 51.54 H new ATOM 0 HD13 LEU A 38 -3.220 6.695 0.240 1.00 51.54 H new ATOM 0 HD21 LEU A 38 -5.360 8.926 0.847 1.00 42.14 H new ATOM 0 HD22 LEU A 38 -5.028 7.622 2.011 1.00 42.14 H new ATOM 0 HD23 LEU A 38 -4.874 9.323 2.513 1.00 42.14 H new ATOM 643 N ILE A 39 -0.932 8.888 5.649 1.00 40.12 N ATOM 644 CA ILE A 39 -0.277 8.341 6.853 1.00 52.42 C ATOM 645 C ILE A 39 -1.359 8.059 7.920 1.00 1.51 C ATOM 646 O ILE A 39 -2.138 8.952 8.275 1.00 20.41 O ATOM 647 CB ILE A 39 0.828 9.315 7.434 1.00 70.11 C ATOM 648 CG1 ILE A 39 1.862 9.734 6.333 1.00 1.12 C ATOM 649 CG2 ILE A 39 1.557 8.679 8.653 1.00 51.12 C ATOM 650 CD1 ILE A 39 2.611 8.591 5.669 1.00 22.20 C ATOM 0 H ILE A 39 -0.662 9.846 5.428 1.00 40.12 H new ATOM 0 HA ILE A 39 0.235 7.419 6.576 1.00 52.42 H new ATOM 0 HB ILE A 39 0.316 10.215 7.774 1.00 70.11 H new ATOM 0 HG12 ILE A 39 1.337 10.297 5.562 1.00 1.12 H new ATOM 0 HG13 ILE A 39 2.590 10.410 6.782 1.00 1.12 H new ATOM 0 HG21 ILE A 39 2.309 9.372 9.029 1.00 51.12 H new ATOM 0 HG22 ILE A 39 0.833 8.467 9.440 1.00 51.12 H new ATOM 0 HG23 ILE A 39 2.040 7.752 8.345 1.00 51.12 H new ATOM 0 HD11 ILE A 39 3.300 8.991 4.925 1.00 22.20 H new ATOM 0 HD12 ILE A 39 3.172 8.038 6.422 1.00 22.20 H new ATOM 0 HD13 ILE A 39 1.899 7.923 5.183 1.00 22.20 H new ATOM 662 N GLY A 40 -1.442 6.802 8.368 1.00 22.21 N ATOM 663 CA GLY A 40 -2.418 6.383 9.371 1.00 2.43 C ATOM 664 C GLY A 40 -3.621 5.664 8.773 1.00 33.23 C ATOM 665 O GLY A 40 -4.479 5.171 9.514 1.00 73.02 O ATOM 0 H GLY A 40 -0.834 6.050 8.044 1.00 22.21 H new ATOM 0 HA2 GLY A 40 -1.930 5.725 10.091 1.00 2.43 H new ATOM 0 HA3 GLY A 40 -2.763 7.258 9.921 1.00 2.43 H new ATOM 669 N ARG A 41 -3.692 5.595 7.427 1.00 23.01 N ATOM 670 CA ARG A 41 -4.806 4.939 6.716 1.00 74.02 C ATOM 671 C ARG A 41 -4.535 3.430 6.607 1.00 60.25 C ATOM 672 O ARG A 41 -3.380 3.004 6.477 1.00 10.23 O ATOM 673 CB ARG A 41 -5.052 5.595 5.315 1.00 62.13 C ATOM 674 CG ARG A 41 -5.847 6.940 5.345 1.00 22.21 C ATOM 675 CD ARG A 41 -5.216 8.028 6.243 1.00 32.35 C ATOM 676 NE ARG A 41 -6.027 9.256 6.345 1.00 4.25 N ATOM 677 CZ ARG A 41 -5.874 10.196 7.300 1.00 35.34 C ATOM 678 NH1 ARG A 41 -4.939 10.076 8.249 1.00 32.32 N ATOM 679 NH2 ARG A 41 -6.630 11.278 7.278 1.00 50.42 N ATOM 0 H ARG A 41 -2.984 5.990 6.808 1.00 23.01 H new ATOM 0 HA ARG A 41 -5.723 5.079 7.288 1.00 74.02 H new ATOM 0 HB2 ARG A 41 -4.087 5.771 4.839 1.00 62.13 H new ATOM 0 HB3 ARG A 41 -5.592 4.885 4.688 1.00 62.13 H new ATOM 0 HG2 ARG A 41 -5.927 7.325 4.328 1.00 22.21 H new ATOM 0 HG3 ARG A 41 -6.861 6.742 5.691 1.00 22.21 H new ATOM 0 HD2 ARG A 41 -5.064 7.619 7.242 1.00 32.35 H new ATOM 0 HD3 ARG A 41 -4.232 8.285 5.851 1.00 32.35 H new ATOM 0 HE ARG A 41 -6.754 9.404 5.645 1.00 4.25 H new ATOM 0 HH11 ARG A 41 -4.325 9.262 8.260 1.00 32.32 H new ATOM 0 HH12 ARG A 41 -4.840 10.799 8.962 1.00 32.32 H new ATOM 0 HH21 ARG A 41 -7.325 11.400 6.542 1.00 50.42 H new ATOM 0 HH22 ARG A 41 -6.519 11.992 7.998 1.00 50.42 H new ATOM 693 N LEU A 42 -5.620 2.642 6.623 1.00 53.13 N ATOM 694 CA LEU A 42 -5.579 1.169 6.667 1.00 52.23 C ATOM 695 C LEU A 42 -5.526 0.642 5.233 1.00 72.33 C ATOM 696 O LEU A 42 -6.167 1.204 4.355 1.00 21.15 O ATOM 697 CB LEU A 42 -6.864 0.641 7.368 1.00 43.05 C ATOM 698 CG LEU A 42 -7.019 -0.918 7.485 1.00 74.31 C ATOM 699 CD1 LEU A 42 -6.049 -1.510 8.531 1.00 31.21 C ATOM 700 CD2 LEU A 42 -8.488 -1.314 7.772 1.00 61.14 C ATOM 0 H LEU A 42 -6.569 3.015 6.605 1.00 53.13 H new ATOM 0 HA LEU A 42 -4.703 0.832 7.221 1.00 52.23 H new ATOM 0 HB2 LEU A 42 -6.900 1.062 8.373 1.00 43.05 H new ATOM 0 HB3 LEU A 42 -7.728 1.029 6.829 1.00 43.05 H new ATOM 0 HG LEU A 42 -6.748 -1.350 6.522 1.00 74.31 H new ATOM 0 HD11 LEU A 42 -6.186 -2.590 8.584 1.00 31.21 H new ATOM 0 HD12 LEU A 42 -5.022 -1.288 8.242 1.00 31.21 H new ATOM 0 HD13 LEU A 42 -6.254 -1.070 9.507 1.00 31.21 H new ATOM 0 HD21 LEU A 42 -8.564 -2.399 7.848 1.00 61.14 H new ATOM 0 HD22 LEU A 42 -8.810 -0.861 8.710 1.00 61.14 H new ATOM 0 HD23 LEU A 42 -9.125 -0.961 6.961 1.00 61.14 H new ATOM 712 N VAL A 43 -4.750 -0.423 4.988 1.00 35.12 N ATOM 713 CA VAL A 43 -4.579 -0.999 3.643 1.00 23.05 C ATOM 714 C VAL A 43 -4.899 -2.506 3.687 1.00 72.42 C ATOM 715 O VAL A 43 -4.336 -3.237 4.504 1.00 11.31 O ATOM 716 CB VAL A 43 -3.118 -0.776 3.094 1.00 34.34 C ATOM 717 CG1 VAL A 43 -3.015 -1.217 1.620 1.00 42.34 C ATOM 718 CG2 VAL A 43 -2.660 0.693 3.262 1.00 32.21 C ATOM 0 H VAL A 43 -4.224 -0.910 5.713 1.00 35.12 H new ATOM 0 HA VAL A 43 -5.266 -0.491 2.966 1.00 23.05 H new ATOM 0 HB VAL A 43 -2.447 -1.397 3.688 1.00 34.34 H new ATOM 0 HG11 VAL A 43 -1.999 -1.054 1.262 1.00 42.34 H new ATOM 0 HG12 VAL A 43 -3.263 -2.275 1.539 1.00 42.34 H new ATOM 0 HG13 VAL A 43 -3.710 -0.634 1.016 1.00 42.34 H new ATOM 0 HG21 VAL A 43 -1.648 0.806 2.872 1.00 32.21 H new ATOM 0 HG22 VAL A 43 -3.336 1.350 2.714 1.00 32.21 H new ATOM 0 HG23 VAL A 43 -2.673 0.960 4.319 1.00 32.21 H new ATOM 728 N LEU A 44 -5.816 -2.951 2.813 1.00 11.11 N ATOM 729 CA LEU A 44 -6.279 -4.344 2.743 1.00 73.22 C ATOM 730 C LEU A 44 -5.786 -4.981 1.435 1.00 53.22 C ATOM 731 O LEU A 44 -6.292 -4.652 0.354 1.00 22.03 O ATOM 732 CB LEU A 44 -7.839 -4.390 2.821 1.00 23.02 C ATOM 733 CG LEU A 44 -8.486 -3.804 4.119 1.00 54.43 C ATOM 734 CD1 LEU A 44 -10.031 -3.853 4.046 1.00 60.14 C ATOM 735 CD2 LEU A 44 -7.960 -4.517 5.385 1.00 61.43 C ATOM 0 H LEU A 44 -6.262 -2.344 2.126 1.00 11.11 H new ATOM 0 HA LEU A 44 -5.875 -4.906 3.585 1.00 73.22 H new ATOM 0 HB2 LEU A 44 -8.240 -3.849 1.964 1.00 23.02 H new ATOM 0 HB3 LEU A 44 -8.156 -5.428 2.719 1.00 23.02 H new ATOM 0 HG LEU A 44 -8.191 -2.757 4.189 1.00 54.43 H new ATOM 0 HD11 LEU A 44 -10.452 -3.439 4.962 1.00 60.14 H new ATOM 0 HD12 LEU A 44 -10.374 -3.268 3.193 1.00 60.14 H new ATOM 0 HD13 LEU A 44 -10.357 -4.887 3.932 1.00 60.14 H new ATOM 0 HD21 LEU A 44 -8.430 -4.085 6.268 1.00 61.43 H new ATOM 0 HD22 LEU A 44 -8.199 -5.579 5.330 1.00 61.43 H new ATOM 0 HD23 LEU A 44 -6.879 -4.391 5.451 1.00 61.43 H new ATOM 747 N TRP A 45 -4.775 -5.855 1.533 1.00 70.41 N ATOM 748 CA TRP A 45 -4.267 -6.635 0.392 1.00 52.50 C ATOM 749 C TRP A 45 -4.632 -8.113 0.583 1.00 1.44 C ATOM 750 O TRP A 45 -4.428 -8.683 1.655 1.00 51.30 O ATOM 751 CB TRP A 45 -2.735 -6.477 0.261 1.00 53.35 C ATOM 752 CG TRP A 45 -2.106 -7.298 -0.853 1.00 52.41 C ATOM 753 CD1 TRP A 45 -2.266 -7.136 -2.207 1.00 53.11 C ATOM 754 CD2 TRP A 45 -1.208 -8.404 -0.696 1.00 15.04 C ATOM 755 NE1 TRP A 45 -1.524 -8.070 -2.884 1.00 51.50 N ATOM 756 CE2 TRP A 45 -0.863 -8.856 -1.977 1.00 23.11 C ATOM 757 CE3 TRP A 45 -0.663 -9.050 0.412 1.00 4.54 C ATOM 758 CZ2 TRP A 45 0.008 -9.919 -2.174 1.00 3.44 C ATOM 759 CZ3 TRP A 45 0.202 -10.106 0.212 1.00 50.42 C ATOM 760 CH2 TRP A 45 0.533 -10.532 -1.076 1.00 63.11 C ATOM 0 H TRP A 45 -4.284 -6.043 2.407 1.00 70.41 H new ATOM 0 HA TRP A 45 -4.726 -6.262 -0.524 1.00 52.50 H new ATOM 0 HB2 TRP A 45 -2.505 -5.425 0.093 1.00 53.35 H new ATOM 0 HB3 TRP A 45 -2.272 -6.758 1.207 1.00 53.35 H new ATOM 0 HD1 TRP A 45 -2.886 -6.383 -2.671 1.00 53.11 H new ATOM 0 HE1 TRP A 45 -1.473 -8.164 -3.898 1.00 51.50 H new ATOM 0 HE3 TRP A 45 -0.914 -8.729 1.412 1.00 4.54 H new ATOM 0 HZ2 TRP A 45 0.262 -10.251 -3.170 1.00 3.44 H new ATOM 0 HZ3 TRP A 45 0.630 -10.611 1.065 1.00 50.42 H new ATOM 0 HH2 TRP A 45 1.215 -11.359 -1.204 1.00 63.11 H new ATOM 771 N LYS A 46 -5.150 -8.715 -0.480 1.00 3.43 N ATOM 772 CA LYS A 46 -5.459 -10.138 -0.544 1.00 1.40 C ATOM 773 C LYS A 46 -4.232 -10.860 -1.131 1.00 2.43 C ATOM 774 O LYS A 46 -3.865 -10.631 -2.288 1.00 44.41 O ATOM 775 CB LYS A 46 -6.720 -10.361 -1.423 1.00 34.32 C ATOM 776 CG LYS A 46 -7.128 -11.843 -1.618 1.00 70.42 C ATOM 777 CD LYS A 46 -8.227 -12.033 -2.702 1.00 73.42 C ATOM 778 CE LYS A 46 -7.761 -11.601 -4.109 1.00 53.41 C ATOM 779 NZ LYS A 46 -8.780 -11.880 -5.160 1.00 60.54 N ATOM 0 H LYS A 46 -5.372 -8.216 -1.341 1.00 3.43 H new ATOM 0 HA LYS A 46 -5.675 -10.537 0.447 1.00 1.40 H new ATOM 0 HB2 LYS A 46 -7.557 -9.825 -0.974 1.00 34.32 H new ATOM 0 HB3 LYS A 46 -6.545 -9.916 -2.403 1.00 34.32 H new ATOM 0 HG2 LYS A 46 -6.248 -12.423 -1.895 1.00 70.42 H new ATOM 0 HG3 LYS A 46 -7.488 -12.243 -0.670 1.00 70.42 H new ATOM 0 HD2 LYS A 46 -8.527 -13.081 -2.729 1.00 73.42 H new ATOM 0 HD3 LYS A 46 -9.109 -11.456 -2.423 1.00 73.42 H new ATOM 0 HE2 LYS A 46 -7.535 -10.535 -4.101 1.00 53.41 H new ATOM 0 HE3 LYS A 46 -6.836 -12.122 -4.357 1.00 53.41 H new ATOM 0 HZ1 LYS A 46 -8.418 -11.572 -6.085 1.00 60.54 H new ATOM 0 HZ2 LYS A 46 -8.979 -12.900 -5.189 1.00 60.54 H new ATOM 0 HZ3 LYS A 46 -9.655 -11.363 -4.941 1.00 60.54 H new ATOM 793 N SER A 47 -3.564 -11.665 -0.300 1.00 61.34 N ATOM 794 CA SER A 47 -2.451 -12.524 -0.731 1.00 42.11 C ATOM 795 C SER A 47 -2.946 -13.668 -1.657 1.00 61.41 C ATOM 796 O SER A 47 -4.107 -14.083 -1.553 1.00 41.42 O ATOM 797 CB SER A 47 -1.732 -13.105 0.517 1.00 60.44 C ATOM 798 OG SER A 47 -2.625 -13.837 1.338 1.00 74.03 O ATOM 0 H SER A 47 -3.778 -11.741 0.694 1.00 61.34 H new ATOM 0 HA SER A 47 -1.748 -11.920 -1.305 1.00 42.11 H new ATOM 0 HB2 SER A 47 -0.915 -13.753 0.199 1.00 60.44 H new ATOM 0 HB3 SER A 47 -1.289 -12.293 1.094 1.00 60.44 H new ATOM 0 HG SER A 47 -3.372 -13.261 1.603 1.00 74.03 H new ATOM 804 N PRO A 48 -2.068 -14.189 -2.583 1.00 4.21 N ATOM 805 CA PRO A 48 -2.340 -15.449 -3.345 1.00 52.32 C ATOM 806 C PRO A 48 -2.487 -16.671 -2.407 1.00 34.12 C ATOM 807 O PRO A 48 -3.038 -17.708 -2.796 1.00 14.54 O ATOM 808 CB PRO A 48 -1.107 -15.582 -4.281 1.00 1.32 C ATOM 809 CG PRO A 48 -0.042 -14.746 -3.637 1.00 22.34 C ATOM 810 CD PRO A 48 -0.770 -13.584 -2.999 1.00 35.21 C ATOM 0 HA PRO A 48 -3.281 -15.413 -3.893 1.00 52.32 H new ATOM 0 HB2 PRO A 48 -0.791 -16.621 -4.374 1.00 1.32 H new ATOM 0 HB3 PRO A 48 -1.334 -15.227 -5.286 1.00 1.32 H new ATOM 0 HG2 PRO A 48 0.510 -15.319 -2.892 1.00 22.34 H new ATOM 0 HG3 PRO A 48 0.683 -14.398 -4.373 1.00 22.34 H new ATOM 0 HD2 PRO A 48 -0.221 -13.182 -2.148 1.00 35.21 H new ATOM 0 HD3 PRO A 48 -0.914 -12.763 -3.702 1.00 35.21 H new ATOM 818 N SER A 49 -1.984 -16.504 -1.163 1.00 34.02 N ATOM 819 CA SER A 49 -2.128 -17.461 -0.056 1.00 60.11 C ATOM 820 C SER A 49 -3.613 -17.684 0.329 1.00 63.00 C ATOM 821 O SER A 49 -3.952 -18.699 0.954 1.00 13.41 O ATOM 822 CB SER A 49 -1.352 -16.908 1.164 1.00 40.33 C ATOM 823 OG SER A 49 -0.040 -16.498 0.804 1.00 14.33 O ATOM 0 H SER A 49 -1.452 -15.674 -0.900 1.00 34.02 H new ATOM 0 HA SER A 49 -1.728 -18.424 -0.372 1.00 60.11 H new ATOM 0 HB2 SER A 49 -1.894 -16.064 1.589 1.00 40.33 H new ATOM 0 HB3 SER A 49 -1.296 -17.673 1.938 1.00 40.33 H new ATOM 0 HG SER A 49 0.423 -16.152 1.595 1.00 14.33 H new ATOM 829 N GLY A 50 -4.480 -16.716 -0.040 1.00 24.52 N ATOM 830 CA GLY A 50 -5.905 -16.749 0.301 1.00 24.41 C ATOM 831 C GLY A 50 -6.199 -16.073 1.631 1.00 11.11 C ATOM 832 O GLY A 50 -7.233 -16.336 2.255 1.00 14.52 O ATOM 0 H GLY A 50 -4.206 -15.896 -0.581 1.00 24.52 H new ATOM 0 HA2 GLY A 50 -6.476 -16.258 -0.487 1.00 24.41 H new ATOM 0 HA3 GLY A 50 -6.242 -17.785 0.341 1.00 24.41 H new ATOM 836 N LYS A 51 -5.271 -15.210 2.074 1.00 63.52 N ATOM 837 CA LYS A 51 -5.416 -14.408 3.295 1.00 54.01 C ATOM 838 C LYS A 51 -5.644 -12.943 2.911 1.00 72.41 C ATOM 839 O LYS A 51 -5.116 -12.474 1.905 1.00 33.34 O ATOM 840 CB LYS A 51 -4.141 -14.519 4.176 1.00 20.43 C ATOM 841 CG LYS A 51 -3.777 -15.943 4.634 1.00 32.42 C ATOM 842 CD LYS A 51 -4.831 -16.573 5.571 1.00 72.35 C ATOM 843 CE LYS A 51 -4.424 -17.973 6.053 1.00 25.25 C ATOM 844 NZ LYS A 51 -5.467 -18.590 6.910 1.00 62.14 N ATOM 0 H LYS A 51 -4.389 -15.049 1.587 1.00 63.52 H new ATOM 0 HA LYS A 51 -6.267 -14.782 3.864 1.00 54.01 H new ATOM 0 HB2 LYS A 51 -3.299 -14.108 3.620 1.00 20.43 H new ATOM 0 HB3 LYS A 51 -4.275 -13.895 5.059 1.00 20.43 H new ATOM 0 HG2 LYS A 51 -3.655 -16.579 3.757 1.00 32.42 H new ATOM 0 HG3 LYS A 51 -2.815 -15.917 5.146 1.00 32.42 H new ATOM 0 HD2 LYS A 51 -4.980 -15.924 6.434 1.00 72.35 H new ATOM 0 HD3 LYS A 51 -5.786 -16.635 5.049 1.00 72.35 H new ATOM 0 HE2 LYS A 51 -4.237 -18.613 5.191 1.00 25.25 H new ATOM 0 HE3 LYS A 51 -3.489 -17.907 6.610 1.00 25.25 H new ATOM 0 HZ1 LYS A 51 -5.153 -19.534 7.214 1.00 62.14 H new ATOM 0 HZ2 LYS A 51 -5.628 -17.993 7.746 1.00 62.14 H new ATOM 0 HZ3 LYS A 51 -6.352 -18.677 6.371 1.00 62.14 H new ATOM 858 N ILE A 52 -6.424 -12.234 3.718 1.00 4.00 N ATOM 859 CA ILE A 52 -6.608 -10.779 3.589 1.00 61.42 C ATOM 860 C ILE A 52 -5.734 -10.102 4.656 1.00 43.11 C ATOM 861 O ILE A 52 -6.123 -9.995 5.828 1.00 15.44 O ATOM 862 CB ILE A 52 -8.130 -10.365 3.714 1.00 4.12 C ATOM 863 CG1 ILE A 52 -8.965 -11.096 2.603 1.00 71.12 C ATOM 864 CG2 ILE A 52 -8.314 -8.816 3.646 1.00 31.53 C ATOM 865 CD1 ILE A 52 -10.463 -10.835 2.622 1.00 14.22 C ATOM 0 H ILE A 52 -6.953 -12.647 4.486 1.00 4.00 H new ATOM 0 HA ILE A 52 -6.299 -10.449 2.597 1.00 61.42 H new ATOM 0 HB ILE A 52 -8.498 -10.677 4.691 1.00 4.12 H new ATOM 0 HG12 ILE A 52 -8.576 -10.800 1.629 1.00 71.12 H new ATOM 0 HG13 ILE A 52 -8.801 -12.169 2.699 1.00 71.12 H new ATOM 0 HG21 ILE A 52 -9.372 -8.571 3.735 1.00 31.53 H new ATOM 0 HG22 ILE A 52 -7.763 -8.348 4.462 1.00 31.53 H new ATOM 0 HG23 ILE A 52 -7.935 -8.446 2.693 1.00 31.53 H new ATOM 0 HD11 ILE A 52 -10.939 -11.389 1.813 1.00 14.22 H new ATOM 0 HD12 ILE A 52 -10.877 -11.160 3.577 1.00 14.22 H new ATOM 0 HD13 ILE A 52 -10.648 -9.769 2.490 1.00 14.22 H new ATOM 877 N LEU A 53 -4.510 -9.740 4.239 1.00 2.25 N ATOM 878 CA LEU A 53 -3.529 -9.076 5.098 1.00 74.22 C ATOM 879 C LEU A 53 -3.897 -7.598 5.228 1.00 35.30 C ATOM 880 O LEU A 53 -4.154 -6.922 4.226 1.00 43.51 O ATOM 881 CB LEU A 53 -2.089 -9.217 4.518 1.00 30.50 C ATOM 882 CG LEU A 53 -1.630 -10.656 4.114 1.00 25.44 C ATOM 883 CD1 LEU A 53 -0.131 -10.671 3.750 1.00 44.54 C ATOM 884 CD2 LEU A 53 -1.952 -11.695 5.209 1.00 44.23 C ATOM 0 H LEU A 53 -4.176 -9.903 3.289 1.00 2.25 H new ATOM 0 HA LEU A 53 -3.543 -9.550 6.079 1.00 74.22 H new ATOM 0 HB2 LEU A 53 -2.012 -8.577 3.639 1.00 30.50 H new ATOM 0 HB3 LEU A 53 -1.386 -8.831 5.256 1.00 30.50 H new ATOM 0 HG LEU A 53 -2.198 -10.943 3.229 1.00 25.44 H new ATOM 0 HD11 LEU A 53 0.166 -11.682 3.472 1.00 44.54 H new ATOM 0 HD12 LEU A 53 0.047 -9.998 2.912 1.00 44.54 H new ATOM 0 HD13 LEU A 53 0.455 -10.344 4.609 1.00 44.54 H new ATOM 0 HD21 LEU A 53 -1.616 -12.680 4.886 1.00 44.23 H new ATOM 0 HD22 LEU A 53 -1.440 -11.422 6.132 1.00 44.23 H new ATOM 0 HD23 LEU A 53 -3.028 -11.718 5.384 1.00 44.23 H new ATOM 896 N LYS A 54 -3.935 -7.115 6.463 1.00 24.41 N ATOM 897 CA LYS A 54 -4.208 -5.708 6.768 1.00 21.40 C ATOM 898 C LYS A 54 -2.911 -5.027 7.228 1.00 53.52 C ATOM 899 O LYS A 54 -2.035 -5.663 7.834 1.00 1.33 O ATOM 900 CB LYS A 54 -5.340 -5.606 7.820 1.00 13.43 C ATOM 901 CG LYS A 54 -5.143 -6.479 9.081 1.00 5.35 C ATOM 902 CD LYS A 54 -6.378 -6.479 10.006 1.00 62.15 C ATOM 903 CE LYS A 54 -6.743 -5.082 10.534 1.00 53.43 C ATOM 904 NZ LYS A 54 -5.674 -4.494 11.384 1.00 73.02 N ATOM 0 H LYS A 54 -3.777 -7.689 7.291 1.00 24.41 H new ATOM 0 HA LYS A 54 -4.555 -5.186 5.876 1.00 21.40 H new ATOM 0 HB2 LYS A 54 -5.435 -4.565 8.129 1.00 13.43 H new ATOM 0 HB3 LYS A 54 -6.281 -5.886 7.347 1.00 13.43 H new ATOM 0 HG2 LYS A 54 -4.921 -7.502 8.778 1.00 5.35 H new ATOM 0 HG3 LYS A 54 -4.278 -6.117 9.637 1.00 5.35 H new ATOM 0 HD2 LYS A 54 -7.230 -6.888 9.463 1.00 62.15 H new ATOM 0 HD3 LYS A 54 -6.190 -7.141 10.851 1.00 62.15 H new ATOM 0 HE2 LYS A 54 -6.938 -4.419 9.691 1.00 53.43 H new ATOM 0 HE3 LYS A 54 -7.666 -5.145 11.110 1.00 53.43 H new ATOM 0 HZ1 LYS A 54 -6.095 -4.106 12.252 1.00 73.02 H new ATOM 0 HZ2 LYS A 54 -4.984 -5.231 11.633 1.00 73.02 H new ATOM 0 HZ3 LYS A 54 -5.194 -3.733 10.862 1.00 73.02 H new ATOM 918 N GLY A 55 -2.791 -3.744 6.886 1.00 62.24 N ATOM 919 CA GLY A 55 -1.592 -2.953 7.140 1.00 45.34 C ATOM 920 C GLY A 55 -1.912 -1.480 7.243 1.00 43.10 C ATOM 921 O GLY A 55 -3.086 -1.108 7.281 1.00 33.21 O ATOM 0 H GLY A 55 -3.533 -3.221 6.420 1.00 62.24 H new ATOM 0 HA2 GLY A 55 -1.122 -3.290 8.064 1.00 45.34 H new ATOM 0 HA3 GLY A 55 -0.872 -3.115 6.338 1.00 45.34 H new ATOM 925 N LYS A 56 -0.875 -0.635 7.296 1.00 20.12 N ATOM 926 CA LYS A 56 -1.055 0.813 7.475 1.00 22.35 C ATOM 927 C LYS A 56 0.104 1.592 6.842 1.00 25.00 C ATOM 928 O LYS A 56 1.273 1.217 7.010 1.00 44.31 O ATOM 929 CB LYS A 56 -1.201 1.134 8.987 1.00 41.15 C ATOM 930 CG LYS A 56 -1.458 2.627 9.326 1.00 12.34 C ATOM 931 CD LYS A 56 -2.061 2.825 10.740 1.00 14.00 C ATOM 932 CE LYS A 56 -3.470 2.205 10.869 1.00 14.23 C ATOM 933 NZ LYS A 56 -4.002 2.325 12.251 1.00 63.40 N ATOM 0 H LYS A 56 0.099 -0.928 7.217 1.00 20.12 H new ATOM 0 HA LYS A 56 -1.966 1.127 6.965 1.00 22.35 H new ATOM 0 HB2 LYS A 56 -2.022 0.540 9.390 1.00 41.15 H new ATOM 0 HB3 LYS A 56 -0.294 0.813 9.499 1.00 41.15 H new ATOM 0 HG2 LYS A 56 -0.520 3.178 9.255 1.00 12.34 H new ATOM 0 HG3 LYS A 56 -2.134 3.052 8.584 1.00 12.34 H new ATOM 0 HD2 LYS A 56 -1.400 2.376 11.481 1.00 14.00 H new ATOM 0 HD3 LYS A 56 -2.113 3.890 10.964 1.00 14.00 H new ATOM 0 HE2 LYS A 56 -4.149 2.699 10.174 1.00 14.23 H new ATOM 0 HE3 LYS A 56 -3.432 1.154 10.584 1.00 14.23 H new ATOM 0 HZ1 LYS A 56 -4.949 1.897 12.297 1.00 63.40 H new ATOM 0 HZ2 LYS A 56 -3.367 1.832 12.911 1.00 63.40 H new ATOM 0 HZ3 LYS A 56 -4.063 3.329 12.514 1.00 63.40 H new ATOM 947 N ILE A 57 -0.246 2.669 6.113 1.00 4.14 N ATOM 948 CA ILE A 57 0.721 3.593 5.504 1.00 63.14 C ATOM 949 C ILE A 57 1.408 4.393 6.621 1.00 43.30 C ATOM 950 O ILE A 57 0.768 5.199 7.296 1.00 4.43 O ATOM 951 CB ILE A 57 0.021 4.572 4.490 1.00 45.30 C ATOM 952 CG1 ILE A 57 -0.737 3.762 3.394 1.00 25.04 C ATOM 953 CG2 ILE A 57 1.036 5.569 3.858 1.00 11.43 C ATOM 954 CD1 ILE A 57 -1.634 4.584 2.489 1.00 0.34 C ATOM 0 H ILE A 57 -1.217 2.921 5.931 1.00 4.14 H new ATOM 0 HA ILE A 57 1.457 3.015 4.945 1.00 63.14 H new ATOM 0 HB ILE A 57 -0.705 5.168 5.042 1.00 45.30 H new ATOM 0 HG12 ILE A 57 -0.004 3.242 2.777 1.00 25.04 H new ATOM 0 HG13 ILE A 57 -1.342 2.998 3.883 1.00 25.04 H new ATOM 0 HG21 ILE A 57 0.515 6.228 3.164 1.00 11.43 H new ATOM 0 HG22 ILE A 57 1.499 6.164 4.645 1.00 11.43 H new ATOM 0 HG23 ILE A 57 1.806 5.014 3.322 1.00 11.43 H new ATOM 0 HD11 ILE A 57 -2.115 3.930 1.762 1.00 0.34 H new ATOM 0 HD12 ILE A 57 -2.396 5.084 3.088 1.00 0.34 H new ATOM 0 HD13 ILE A 57 -1.037 5.331 1.965 1.00 0.34 H new ATOM 966 N VAL A 58 2.695 4.126 6.839 1.00 52.43 N ATOM 967 CA VAL A 58 3.491 4.761 7.914 1.00 55.42 C ATOM 968 C VAL A 58 4.523 5.744 7.338 1.00 65.54 C ATOM 969 O VAL A 58 5.154 6.498 8.090 1.00 42.33 O ATOM 970 CB VAL A 58 4.209 3.670 8.796 1.00 22.41 C ATOM 971 CG1 VAL A 58 3.170 2.773 9.522 1.00 63.14 C ATOM 972 CG2 VAL A 58 5.193 2.824 7.944 1.00 4.30 C ATOM 0 H VAL A 58 3.227 3.461 6.277 1.00 52.43 H new ATOM 0 HA VAL A 58 2.803 5.323 8.546 1.00 55.42 H new ATOM 0 HB VAL A 58 4.794 4.183 9.560 1.00 22.41 H new ATOM 0 HG11 VAL A 58 3.690 2.028 10.124 1.00 63.14 H new ATOM 0 HG12 VAL A 58 2.545 3.390 10.168 1.00 63.14 H new ATOM 0 HG13 VAL A 58 2.544 2.271 8.784 1.00 63.14 H new ATOM 0 HG21 VAL A 58 5.675 2.079 8.577 1.00 4.30 H new ATOM 0 HG22 VAL A 58 4.645 2.323 7.146 1.00 4.30 H new ATOM 0 HG23 VAL A 58 5.951 3.476 7.509 1.00 4.30 H new ATOM 982 N ARG A 59 4.675 5.749 6.002 1.00 1.15 N ATOM 983 CA ARG A 59 5.702 6.550 5.323 1.00 32.11 C ATOM 984 C ARG A 59 5.300 6.773 3.854 1.00 53.14 C ATOM 985 O ARG A 59 4.575 5.958 3.280 1.00 14.40 O ATOM 986 CB ARG A 59 7.079 5.824 5.440 1.00 11.30 C ATOM 987 CG ARG A 59 8.311 6.651 5.016 1.00 12.44 C ATOM 988 CD ARG A 59 8.479 7.927 5.860 1.00 75.24 C ATOM 989 NE ARG A 59 8.541 7.641 7.308 1.00 71.12 N ATOM 990 CZ ARG A 59 8.293 8.526 8.291 1.00 74.32 C ATOM 991 NH1 ARG A 59 7.963 9.788 8.016 1.00 14.01 N ATOM 992 NH2 ARG A 59 8.379 8.142 9.559 1.00 41.31 N ATOM 0 H ARG A 59 4.093 5.201 5.369 1.00 1.15 H new ATOM 0 HA ARG A 59 5.791 7.529 5.795 1.00 32.11 H new ATOM 0 HB2 ARG A 59 7.215 5.508 6.474 1.00 11.30 H new ATOM 0 HB3 ARG A 59 7.045 4.920 4.832 1.00 11.30 H new ATOM 0 HG2 ARG A 59 9.207 6.037 5.108 1.00 12.44 H new ATOM 0 HG3 ARG A 59 8.218 6.923 3.965 1.00 12.44 H new ATOM 0 HD2 ARG A 59 9.389 8.444 5.555 1.00 75.24 H new ATOM 0 HD3 ARG A 59 7.647 8.603 5.661 1.00 75.24 H new ATOM 0 HE ARG A 59 8.793 6.693 7.586 1.00 71.12 H new ATOM 0 HH11 ARG A 59 7.895 10.098 7.047 1.00 14.01 H new ATOM 0 HH12 ARG A 59 7.779 10.444 8.775 1.00 14.01 H new ATOM 0 HH21 ARG A 59 8.632 7.180 9.784 1.00 41.31 H new ATOM 0 HH22 ARG A 59 8.192 8.809 10.308 1.00 41.31 H new ATOM 1006 N VAL A 60 5.736 7.905 3.270 1.00 64.23 N ATOM 1007 CA VAL A 60 5.555 8.203 1.828 1.00 10.24 C ATOM 1008 C VAL A 60 6.844 7.866 1.069 1.00 3.30 C ATOM 1009 O VAL A 60 7.923 7.799 1.673 1.00 35.40 O ATOM 1010 CB VAL A 60 5.166 9.712 1.587 1.00 22.23 C ATOM 1011 CG1 VAL A 60 3.883 10.058 2.355 1.00 51.42 C ATOM 1012 CG2 VAL A 60 6.310 10.685 1.971 1.00 4.21 C ATOM 0 H VAL A 60 6.224 8.641 3.780 1.00 64.23 H new ATOM 0 HA VAL A 60 4.735 7.589 1.457 1.00 10.24 H new ATOM 0 HB VAL A 60 4.990 9.835 0.518 1.00 22.23 H new ATOM 0 HG11 VAL A 60 3.625 11.103 2.180 1.00 51.42 H new ATOM 0 HG12 VAL A 60 3.069 9.421 2.010 1.00 51.42 H new ATOM 0 HG13 VAL A 60 4.043 9.897 3.421 1.00 51.42 H new ATOM 0 HG21 VAL A 60 5.992 11.711 1.786 1.00 4.21 H new ATOM 0 HG22 VAL A 60 6.551 10.564 3.027 1.00 4.21 H new ATOM 0 HG23 VAL A 60 7.192 10.465 1.370 1.00 4.21 H new ATOM 1022 N HIS A 61 6.733 7.669 -0.250 1.00 25.25 N ATOM 1023 CA HIS A 61 7.875 7.325 -1.110 1.00 30.20 C ATOM 1024 C HIS A 61 7.711 7.997 -2.492 1.00 52.45 C ATOM 1025 O HIS A 61 6.901 7.558 -3.307 1.00 70.15 O ATOM 1026 CB HIS A 61 7.987 5.775 -1.241 1.00 22.44 C ATOM 1027 CG HIS A 61 9.183 5.322 -2.035 1.00 34.11 C ATOM 1028 ND1 HIS A 61 9.183 5.237 -3.410 1.00 62.22 N ATOM 1029 CD2 HIS A 61 10.436 4.975 -1.644 1.00 63.40 C ATOM 1030 CE1 HIS A 61 10.376 4.867 -3.823 1.00 51.12 C ATOM 1031 NE2 HIS A 61 11.151 4.703 -2.776 1.00 1.21 N ATOM 0 H HIS A 61 5.849 7.743 -0.753 1.00 25.25 H new ATOM 0 HA HIS A 61 8.798 7.695 -0.663 1.00 30.20 H new ATOM 0 HB2 HIS A 61 8.036 5.337 -0.244 1.00 22.44 H new ATOM 0 HB3 HIS A 61 7.082 5.392 -1.713 1.00 22.44 H new ATOM 0 HD2 HIS A 61 10.799 4.924 -0.628 1.00 63.40 H new ATOM 0 HE1 HIS A 61 10.669 4.722 -4.852 1.00 51.12 H new ATOM 0 HE2 HIS A 61 12.130 4.418 -2.803 1.00 1.21 H new ATOM 1040 N GLY A 62 8.480 9.075 -2.737 1.00 32.33 N ATOM 1041 CA GLY A 62 8.465 9.788 -4.021 1.00 41.13 C ATOM 1042 C GLY A 62 7.297 10.772 -4.165 1.00 72.21 C ATOM 1043 O GLY A 62 6.354 10.773 -3.364 1.00 20.31 O ATOM 0 H GLY A 62 9.124 9.471 -2.053 1.00 32.33 H new ATOM 0 HA2 GLY A 62 9.403 10.331 -4.136 1.00 41.13 H new ATOM 0 HA3 GLY A 62 8.417 9.060 -4.831 1.00 41.13 H new ATOM 1047 N THR A 63 7.379 11.605 -5.217 1.00 74.33 N ATOM 1048 CA THR A 63 6.379 12.643 -5.542 1.00 4.43 C ATOM 1049 C THR A 63 5.201 12.083 -6.370 1.00 24.41 C ATOM 1050 O THR A 63 4.207 12.782 -6.571 1.00 73.34 O ATOM 1051 CB THR A 63 7.059 13.832 -6.312 1.00 4.53 C ATOM 1052 OG1 THR A 63 7.864 13.323 -7.392 1.00 24.34 O ATOM 1053 CG2 THR A 63 7.938 14.697 -5.388 1.00 31.34 C ATOM 0 H THR A 63 8.155 11.577 -5.878 1.00 74.33 H new ATOM 0 HA THR A 63 5.972 13.004 -4.597 1.00 4.43 H new ATOM 0 HB THR A 63 6.259 14.462 -6.702 1.00 4.53 H new ATOM 0 HG1 THR A 63 8.283 14.070 -7.868 1.00 24.34 H new ATOM 0 HG21 THR A 63 8.387 15.506 -5.965 1.00 31.34 H new ATOM 0 HG22 THR A 63 7.325 15.117 -4.591 1.00 31.34 H new ATOM 0 HG23 THR A 63 8.725 14.081 -4.954 1.00 31.34 H new ATOM 1061 N LYS A 64 5.323 10.822 -6.842 1.00 14.02 N ATOM 1062 CA LYS A 64 4.282 10.148 -7.657 1.00 61.42 C ATOM 1063 C LYS A 64 3.152 9.545 -6.798 1.00 42.54 C ATOM 1064 O LYS A 64 2.267 8.866 -7.334 1.00 44.24 O ATOM 1065 CB LYS A 64 4.935 9.059 -8.572 1.00 3.05 C ATOM 1066 CG LYS A 64 5.597 9.617 -9.855 1.00 5.41 C ATOM 1067 CD LYS A 64 4.565 10.287 -10.792 1.00 22.42 C ATOM 1068 CE LYS A 64 5.154 10.754 -12.131 1.00 22.21 C ATOM 1069 NZ LYS A 64 6.195 11.799 -11.958 1.00 3.21 N ATOM 0 H LYS A 64 6.144 10.242 -6.670 1.00 14.02 H new ATOM 0 HA LYS A 64 3.818 10.909 -8.284 1.00 61.42 H new ATOM 0 HB2 LYS A 64 5.686 8.520 -7.995 1.00 3.05 H new ATOM 0 HB3 LYS A 64 4.171 8.335 -8.857 1.00 3.05 H new ATOM 0 HG2 LYS A 64 6.364 10.342 -9.582 1.00 5.41 H new ATOM 0 HG3 LYS A 64 6.098 8.808 -10.386 1.00 5.41 H new ATOM 0 HD2 LYS A 64 3.756 9.584 -10.988 1.00 22.42 H new ATOM 0 HD3 LYS A 64 4.126 11.144 -10.280 1.00 22.42 H new ATOM 0 HE2 LYS A 64 5.584 9.899 -12.653 1.00 22.21 H new ATOM 0 HE3 LYS A 64 4.354 11.143 -12.761 1.00 22.21 H new ATOM 0 HZ1 LYS A 64 6.562 12.081 -12.889 1.00 3.21 H new ATOM 0 HZ2 LYS A 64 5.781 12.627 -11.484 1.00 3.21 H new ATOM 0 HZ3 LYS A 64 6.973 11.422 -11.380 1.00 3.21 H new ATOM 1083 N GLY A 65 3.178 9.802 -5.477 1.00 24.24 N ATOM 1084 CA GLY A 65 2.098 9.394 -4.584 1.00 75.45 C ATOM 1085 C GLY A 65 2.223 7.967 -4.084 1.00 74.51 C ATOM 1086 O GLY A 65 1.284 7.454 -3.466 1.00 11.42 O ATOM 0 H GLY A 65 3.942 10.292 -5.011 1.00 24.24 H new ATOM 0 HA2 GLY A 65 2.073 10.068 -3.728 1.00 75.45 H new ATOM 0 HA3 GLY A 65 1.147 9.505 -5.105 1.00 75.45 H new ATOM 1090 N ALA A 66 3.381 7.321 -4.355 1.00 70.25 N ATOM 1091 CA ALA A 66 3.653 5.954 -3.892 1.00 2.15 C ATOM 1092 C ALA A 66 3.781 5.928 -2.363 1.00 21.23 C ATOM 1093 O ALA A 66 4.450 6.787 -1.778 1.00 71.21 O ATOM 1094 CB ALA A 66 4.921 5.386 -4.556 1.00 31.11 C ATOM 0 H ALA A 66 4.141 7.734 -4.896 1.00 70.25 H new ATOM 0 HA ALA A 66 2.815 5.321 -4.182 1.00 2.15 H new ATOM 0 HB1 ALA A 66 5.098 4.373 -4.195 1.00 31.11 H new ATOM 0 HB2 ALA A 66 4.788 5.368 -5.638 1.00 31.11 H new ATOM 0 HB3 ALA A 66 5.775 6.015 -4.306 1.00 31.11 H new ATOM 1100 N VAL A 67 3.121 4.954 -1.729 1.00 44.25 N ATOM 1101 CA VAL A 67 3.059 4.834 -0.264 1.00 42.43 C ATOM 1102 C VAL A 67 3.846 3.600 0.230 1.00 51.22 C ATOM 1103 O VAL A 67 3.989 2.594 -0.485 1.00 45.21 O ATOM 1104 CB VAL A 67 1.562 4.767 0.235 1.00 40.30 C ATOM 1105 CG1 VAL A 67 0.797 6.075 -0.100 1.00 22.04 C ATOM 1106 CG2 VAL A 67 0.819 3.529 -0.330 1.00 43.31 C ATOM 0 H VAL A 67 2.610 4.220 -2.219 1.00 44.25 H new ATOM 0 HA VAL A 67 3.524 5.725 0.158 1.00 42.43 H new ATOM 0 HB VAL A 67 1.591 4.662 1.320 1.00 40.30 H new ATOM 0 HG11 VAL A 67 -0.230 5.997 0.256 1.00 22.04 H new ATOM 0 HG12 VAL A 67 1.287 6.918 0.387 1.00 22.04 H new ATOM 0 HG13 VAL A 67 0.796 6.230 -1.179 1.00 22.04 H new ATOM 0 HG21 VAL A 67 -0.207 3.521 0.038 1.00 43.31 H new ATOM 0 HG22 VAL A 67 0.814 3.574 -1.419 1.00 43.31 H new ATOM 0 HG23 VAL A 67 1.327 2.621 -0.006 1.00 43.31 H new ATOM 1116 N ARG A 68 4.379 3.720 1.453 1.00 33.11 N ATOM 1117 CA ARG A 68 5.005 2.624 2.198 1.00 4.12 C ATOM 1118 C ARG A 68 4.016 2.142 3.274 1.00 62.51 C ATOM 1119 O ARG A 68 3.789 2.834 4.280 1.00 12.01 O ATOM 1120 CB ARG A 68 6.356 3.095 2.832 1.00 72.21 C ATOM 1121 CG ARG A 68 6.983 2.069 3.805 1.00 40.44 C ATOM 1122 CD ARG A 68 8.358 2.472 4.374 1.00 50.11 C ATOM 1123 NE ARG A 68 8.868 1.461 5.334 1.00 32.40 N ATOM 1124 CZ ARG A 68 10.155 1.317 5.709 1.00 32.25 C ATOM 1125 NH1 ARG A 68 11.103 2.102 5.207 1.00 53.22 N ATOM 1126 NH2 ARG A 68 10.491 0.386 6.594 1.00 3.34 N ATOM 0 H ARG A 68 4.386 4.604 1.962 1.00 33.11 H new ATOM 0 HA ARG A 68 5.237 1.797 1.528 1.00 4.12 H new ATOM 0 HB2 ARG A 68 7.067 3.305 2.033 1.00 72.21 H new ATOM 0 HB3 ARG A 68 6.189 4.031 3.365 1.00 72.21 H new ATOM 0 HG2 ARG A 68 6.295 1.910 4.635 1.00 40.44 H new ATOM 0 HG3 ARG A 68 7.085 1.115 3.288 1.00 40.44 H new ATOM 0 HD2 ARG A 68 9.070 2.591 3.557 1.00 50.11 H new ATOM 0 HD3 ARG A 68 8.278 3.439 4.871 1.00 50.11 H new ATOM 0 HE ARG A 68 8.188 0.822 5.744 1.00 32.40 H new ATOM 0 HH11 ARG A 68 10.861 2.825 4.529 1.00 53.22 H new ATOM 0 HH12 ARG A 68 12.073 1.982 5.500 1.00 53.22 H new ATOM 0 HH21 ARG A 68 9.775 -0.222 6.991 1.00 3.34 H new ATOM 0 HH22 ARG A 68 11.465 0.279 6.876 1.00 3.34 H new ATOM 1140 N ALA A 69 3.401 0.978 3.033 1.00 71.52 N ATOM 1141 CA ALA A 69 2.430 0.369 3.953 1.00 63.54 C ATOM 1142 C ALA A 69 3.044 -0.871 4.616 1.00 24.44 C ATOM 1143 O ALA A 69 3.442 -1.813 3.927 1.00 3.13 O ATOM 1144 CB ALA A 69 1.143 0.009 3.194 1.00 21.31 C ATOM 0 H ALA A 69 3.563 0.428 2.189 1.00 71.52 H new ATOM 0 HA ALA A 69 2.176 1.084 4.736 1.00 63.54 H new ATOM 0 HB1 ALA A 69 0.428 -0.442 3.883 1.00 21.31 H new ATOM 0 HB2 ALA A 69 0.711 0.912 2.762 1.00 21.31 H new ATOM 0 HB3 ALA A 69 1.376 -0.699 2.398 1.00 21.31 H new ATOM 1150 N ARG A 70 3.136 -0.862 5.959 1.00 35.51 N ATOM 1151 CA ARG A 70 3.597 -2.032 6.727 1.00 35.23 C ATOM 1152 C ARG A 70 2.396 -2.918 7.062 1.00 65.44 C ATOM 1153 O ARG A 70 1.473 -2.473 7.743 1.00 70.02 O ATOM 1154 CB ARG A 70 4.296 -1.620 8.050 1.00 11.31 C ATOM 1155 CG ARG A 70 5.667 -0.944 7.895 1.00 20.14 C ATOM 1156 CD ARG A 70 6.419 -0.816 9.244 1.00 50.15 C ATOM 1157 NE ARG A 70 5.754 0.099 10.206 1.00 22.32 N ATOM 1158 CZ ARG A 70 4.937 -0.256 11.223 1.00 30.21 C ATOM 1159 NH1 ARG A 70 4.632 -1.528 11.463 1.00 60.15 N ATOM 1160 NH2 ARG A 70 4.438 0.684 12.012 1.00 11.52 N ATOM 0 H ARG A 70 2.896 -0.055 6.535 1.00 35.51 H new ATOM 0 HA ARG A 70 4.320 -2.568 6.113 1.00 35.23 H new ATOM 0 HB2 ARG A 70 3.636 -0.943 8.593 1.00 11.31 H new ATOM 0 HB3 ARG A 70 4.418 -2.510 8.668 1.00 11.31 H new ATOM 0 HG2 ARG A 70 6.275 -1.518 7.196 1.00 20.14 H new ATOM 0 HG3 ARG A 70 5.533 0.047 7.461 1.00 20.14 H new ATOM 0 HD2 ARG A 70 6.509 -1.804 9.696 1.00 50.15 H new ATOM 0 HD3 ARG A 70 7.431 -0.459 9.055 1.00 50.15 H new ATOM 0 HE ARG A 70 5.932 1.096 10.088 1.00 22.32 H new ATOM 0 HH11 ARG A 70 5.017 -2.265 10.872 1.00 60.15 H new ATOM 0 HH12 ARG A 70 4.013 -1.767 12.238 1.00 60.15 H new ATOM 0 HH21 ARG A 70 4.671 1.663 11.849 1.00 11.52 H new ATOM 0 HH22 ARG A 70 3.820 0.428 12.782 1.00 11.52 H new ATOM 1174 N PHE A 71 2.412 -4.163 6.577 1.00 52.33 N ATOM 1175 CA PHE A 71 1.357 -5.151 6.851 1.00 45.50 C ATOM 1176 C PHE A 71 1.716 -5.960 8.107 1.00 74.51 C ATOM 1177 O PHE A 71 2.780 -6.583 8.154 1.00 4.42 O ATOM 1178 CB PHE A 71 1.148 -6.051 5.600 1.00 21.03 C ATOM 1179 CG PHE A 71 0.420 -5.320 4.464 1.00 2.41 C ATOM 1180 CD1 PHE A 71 1.071 -4.374 3.662 1.00 25.04 C ATOM 1181 CD2 PHE A 71 -0.933 -5.555 4.228 1.00 22.31 C ATOM 1182 CE1 PHE A 71 0.389 -3.702 2.668 1.00 10.05 C ATOM 1183 CE2 PHE A 71 -1.608 -4.884 3.230 1.00 44.44 C ATOM 1184 CZ PHE A 71 -0.948 -3.960 2.451 1.00 52.13 C ATOM 0 H PHE A 71 3.159 -4.518 5.980 1.00 52.33 H new ATOM 0 HA PHE A 71 0.411 -4.648 7.052 1.00 45.50 H new ATOM 0 HB2 PHE A 71 2.117 -6.399 5.241 1.00 21.03 H new ATOM 0 HB3 PHE A 71 0.577 -6.935 5.884 1.00 21.03 H new ATOM 0 HD1 PHE A 71 2.119 -4.168 3.823 1.00 25.04 H new ATOM 0 HD2 PHE A 71 -1.461 -6.274 4.836 1.00 22.31 H new ATOM 0 HE1 PHE A 71 0.903 -2.973 2.059 1.00 10.05 H new ATOM 0 HE2 PHE A 71 -2.656 -5.083 3.059 1.00 44.44 H new ATOM 0 HZ PHE A 71 -1.478 -3.437 1.669 1.00 52.13 H new ATOM 1194 N GLU A 72 0.799 -5.935 9.114 1.00 13.43 N ATOM 1195 CA GLU A 72 1.017 -6.527 10.454 1.00 74.40 C ATOM 1196 C GLU A 72 1.361 -8.027 10.370 1.00 33.42 C ATOM 1197 O GLU A 72 2.225 -8.525 11.107 1.00 72.42 O ATOM 1198 CB GLU A 72 -0.223 -6.305 11.363 1.00 73.00 C ATOM 1199 CG GLU A 72 -1.532 -6.948 10.852 1.00 25.04 C ATOM 1200 CD GLU A 72 -2.650 -6.932 11.901 1.00 33.33 C ATOM 1201 OE1 GLU A 72 -3.379 -5.923 11.985 1.00 70.21 O ATOM 1202 OE2 GLU A 72 -2.788 -7.919 12.654 1.00 43.34 O ATOM 0 H GLU A 72 -0.117 -5.499 9.012 1.00 13.43 H new ATOM 0 HA GLU A 72 1.872 -6.017 10.897 1.00 74.40 H new ATOM 0 HB2 GLU A 72 -0.004 -6.702 12.354 1.00 73.00 H new ATOM 0 HB3 GLU A 72 -0.383 -5.233 11.478 1.00 73.00 H new ATOM 0 HG2 GLU A 72 -1.868 -6.418 9.961 1.00 25.04 H new ATOM 0 HG3 GLU A 72 -1.334 -7.978 10.554 1.00 25.04 H new ATOM 1209 N LYS A 73 0.677 -8.720 9.448 1.00 45.42 N ATOM 1210 CA LYS A 73 0.916 -10.132 9.164 1.00 51.33 C ATOM 1211 C LYS A 73 2.180 -10.276 8.325 1.00 52.25 C ATOM 1212 O LYS A 73 3.117 -10.989 8.705 1.00 12.12 O ATOM 1213 CB LYS A 73 -0.307 -10.744 8.428 1.00 73.24 C ATOM 1214 CG LYS A 73 -1.601 -10.810 9.274 1.00 21.15 C ATOM 1215 CD LYS A 73 -1.421 -11.601 10.594 1.00 3.42 C ATOM 1216 CE LYS A 73 -0.980 -13.063 10.367 1.00 51.24 C ATOM 1217 NZ LYS A 73 -0.546 -13.717 11.631 1.00 30.20 N ATOM 0 H LYS A 73 -0.062 -8.308 8.877 1.00 45.42 H new ATOM 0 HA LYS A 73 1.053 -10.672 10.101 1.00 51.33 H new ATOM 0 HB2 LYS A 73 -0.505 -10.158 7.530 1.00 73.24 H new ATOM 0 HB3 LYS A 73 -0.051 -11.752 8.101 1.00 73.24 H new ATOM 0 HG2 LYS A 73 -1.929 -9.797 9.506 1.00 21.15 H new ATOM 0 HG3 LYS A 73 -2.391 -11.274 8.684 1.00 21.15 H new ATOM 0 HD2 LYS A 73 -0.681 -11.097 11.215 1.00 3.42 H new ATOM 0 HD3 LYS A 73 -2.360 -11.593 11.147 1.00 3.42 H new ATOM 0 HE2 LYS A 73 -1.805 -13.627 9.932 1.00 51.24 H new ATOM 0 HE3 LYS A 73 -0.162 -13.087 9.647 1.00 51.24 H new ATOM 0 HZ1 LYS A 73 -0.258 -14.697 11.434 1.00 30.20 H new ATOM 0 HZ2 LYS A 73 0.258 -13.194 12.034 1.00 30.20 H new ATOM 0 HZ3 LYS A 73 -1.334 -13.718 12.310 1.00 30.20 H new ATOM 1231 N GLY A 74 2.182 -9.558 7.188 1.00 53.43 N ATOM 1232 CA GLY A 74 3.310 -9.533 6.274 1.00 74.25 C ATOM 1233 C GLY A 74 3.656 -10.894 5.685 1.00 2.44 C ATOM 1234 O GLY A 74 4.833 -11.186 5.429 1.00 51.12 O ATOM 0 H GLY A 74 1.395 -8.982 6.888 1.00 53.43 H new ATOM 0 HA2 GLY A 74 3.091 -8.841 5.461 1.00 74.25 H new ATOM 0 HA3 GLY A 74 4.182 -9.143 6.799 1.00 74.25 H new ATOM 1238 N LEU A 75 2.615 -11.710 5.451 1.00 30.51 N ATOM 1239 CA LEU A 75 2.753 -13.067 4.914 1.00 40.45 C ATOM 1240 C LEU A 75 3.205 -13.017 3.432 1.00 51.54 C ATOM 1241 O LEU A 75 2.714 -12.177 2.667 1.00 21.43 O ATOM 1242 CB LEU A 75 1.414 -13.847 5.079 1.00 64.30 C ATOM 1243 CG LEU A 75 0.977 -14.103 6.560 1.00 54.13 C ATOM 1244 CD1 LEU A 75 -0.394 -14.810 6.640 1.00 40.34 C ATOM 1245 CD2 LEU A 75 2.070 -14.896 7.314 1.00 33.13 C ATOM 0 H LEU A 75 1.648 -11.441 5.632 1.00 30.51 H new ATOM 0 HA LEU A 75 3.521 -13.598 5.476 1.00 40.45 H new ATOM 0 HB2 LEU A 75 0.623 -13.293 4.573 1.00 64.30 H new ATOM 0 HB3 LEU A 75 1.505 -14.807 4.572 1.00 64.30 H new ATOM 0 HG LEU A 75 0.859 -13.135 7.048 1.00 54.13 H new ATOM 0 HD11 LEU A 75 -0.661 -14.969 7.685 1.00 40.34 H new ATOM 0 HD12 LEU A 75 -1.152 -14.189 6.163 1.00 40.34 H new ATOM 0 HD13 LEU A 75 -0.338 -15.771 6.129 1.00 40.34 H new ATOM 0 HD21 LEU A 75 1.752 -15.066 8.343 1.00 33.13 H new ATOM 0 HD22 LEU A 75 2.230 -15.854 6.820 1.00 33.13 H new ATOM 0 HD23 LEU A 75 3.000 -14.327 7.311 1.00 33.13 H new ATOM 1257 N PRO A 76 4.164 -13.910 3.025 1.00 74.52 N ATOM 1258 CA PRO A 76 4.766 -13.885 1.672 1.00 23.44 C ATOM 1259 C PRO A 76 3.759 -14.290 0.570 1.00 21.12 C ATOM 1260 O PRO A 76 2.908 -15.168 0.780 1.00 71.13 O ATOM 1261 CB PRO A 76 5.949 -14.900 1.774 1.00 53.10 C ATOM 1262 CG PRO A 76 6.098 -15.195 3.247 1.00 23.12 C ATOM 1263 CD PRO A 76 4.727 -15.018 3.839 1.00 1.33 C ATOM 0 HA PRO A 76 5.089 -12.884 1.385 1.00 23.44 H new ATOM 0 HB2 PRO A 76 5.737 -15.809 1.211 1.00 53.10 H new ATOM 0 HB3 PRO A 76 6.866 -14.477 1.363 1.00 53.10 H new ATOM 0 HG2 PRO A 76 6.466 -16.208 3.408 1.00 23.12 H new ATOM 0 HG3 PRO A 76 6.815 -14.518 3.711 1.00 23.12 H new ATOM 0 HD2 PRO A 76 4.129 -15.926 3.757 1.00 1.33 H new ATOM 0 HD3 PRO A 76 4.772 -14.761 4.897 1.00 1.33 H new ATOM 1271 N GLY A 77 3.879 -13.638 -0.591 1.00 22.34 N ATOM 1272 CA GLY A 77 3.035 -13.918 -1.741 1.00 63.11 C ATOM 1273 C GLY A 77 3.351 -12.969 -2.883 1.00 10.30 C ATOM 1274 O GLY A 77 2.969 -11.804 -2.828 1.00 3.42 O ATOM 0 H GLY A 77 4.567 -12.902 -0.753 1.00 22.34 H new ATOM 0 HA2 GLY A 77 3.184 -14.948 -2.066 1.00 63.11 H new ATOM 0 HA3 GLY A 77 1.986 -13.821 -1.461 1.00 63.11 H new ATOM 1278 N GLN A 78 4.071 -13.468 -3.906 1.00 21.03 N ATOM 1279 CA GLN A 78 4.515 -12.668 -5.061 1.00 34.44 C ATOM 1280 C GLN A 78 3.322 -12.371 -5.986 1.00 51.13 C ATOM 1281 O GLN A 78 2.966 -13.172 -6.851 1.00 10.22 O ATOM 1282 CB GLN A 78 5.643 -13.409 -5.833 1.00 14.41 C ATOM 1283 CG GLN A 78 6.188 -12.655 -7.068 1.00 73.15 C ATOM 1284 CD GLN A 78 7.270 -13.439 -7.812 1.00 71.42 C ATOM 1285 OE1 GLN A 78 8.460 -13.318 -7.513 1.00 40.21 O ATOM 1286 NE2 GLN A 78 6.865 -14.260 -8.777 1.00 51.12 N ATOM 0 H GLN A 78 4.362 -14.444 -3.953 1.00 21.03 H new ATOM 0 HA GLN A 78 4.917 -11.721 -4.701 1.00 34.44 H new ATOM 0 HB2 GLN A 78 6.469 -13.599 -5.147 1.00 14.41 H new ATOM 0 HB3 GLN A 78 5.266 -14.380 -6.155 1.00 14.41 H new ATOM 0 HG2 GLN A 78 5.365 -12.443 -7.751 1.00 73.15 H new ATOM 0 HG3 GLN A 78 6.595 -11.695 -6.751 1.00 73.15 H new ATOM 0 HE21 GLN A 78 5.872 -14.336 -8.999 1.00 51.12 H new ATOM 0 HE22 GLN A 78 7.547 -14.814 -9.295 1.00 51.12 H new ATOM 1295 N ALA A 79 2.674 -11.239 -5.728 1.00 52.34 N ATOM 1296 CA ALA A 79 1.560 -10.709 -6.531 1.00 32.13 C ATOM 1297 C ALA A 79 1.967 -9.370 -7.173 1.00 45.20 C ATOM 1298 O ALA A 79 1.130 -8.491 -7.346 1.00 74.34 O ATOM 1299 CB ALA A 79 0.291 -10.591 -5.664 1.00 34.32 C ATOM 0 H ALA A 79 2.910 -10.643 -4.934 1.00 52.34 H new ATOM 0 HA ALA A 79 1.327 -11.398 -7.343 1.00 32.13 H new ATOM 0 HB1 ALA A 79 -0.527 -10.198 -6.268 1.00 34.32 H new ATOM 0 HB2 ALA A 79 0.019 -11.575 -5.281 1.00 34.32 H new ATOM 0 HB3 ALA A 79 0.482 -9.917 -4.829 1.00 34.32 H new ATOM 1305 N LEU A 80 3.280 -9.221 -7.474 1.00 0.33 N ATOM 1306 CA LEU A 80 3.865 -8.003 -8.101 1.00 22.11 C ATOM 1307 C LEU A 80 2.993 -7.467 -9.275 1.00 1.44 C ATOM 1308 O LEU A 80 2.979 -8.040 -10.371 1.00 63.12 O ATOM 1309 CB LEU A 80 5.308 -8.314 -8.600 1.00 11.33 C ATOM 1310 CG LEU A 80 6.356 -8.678 -7.498 1.00 31.20 C ATOM 1311 CD1 LEU A 80 7.735 -9.014 -8.109 1.00 24.51 C ATOM 1312 CD2 LEU A 80 6.473 -7.538 -6.470 1.00 21.54 C ATOM 0 H LEU A 80 3.972 -9.947 -7.288 1.00 0.33 H new ATOM 0 HA LEU A 80 3.896 -7.221 -7.342 1.00 22.11 H new ATOM 0 HB2 LEU A 80 5.255 -9.141 -9.309 1.00 11.33 H new ATOM 0 HB3 LEU A 80 5.675 -7.447 -9.149 1.00 11.33 H new ATOM 0 HG LEU A 80 6.003 -9.573 -6.986 1.00 31.20 H new ATOM 0 HD11 LEU A 80 8.436 -9.262 -7.312 1.00 24.51 H new ATOM 0 HD12 LEU A 80 7.637 -9.865 -8.783 1.00 24.51 H new ATOM 0 HD13 LEU A 80 8.107 -8.153 -8.664 1.00 24.51 H new ATOM 0 HD21 LEU A 80 7.206 -7.807 -5.710 1.00 21.54 H new ATOM 0 HD22 LEU A 80 6.791 -6.625 -6.974 1.00 21.54 H new ATOM 0 HD23 LEU A 80 5.505 -7.373 -5.998 1.00 21.54 H new ATOM 1324 N GLY A 81 2.251 -6.370 -9.004 1.00 33.41 N ATOM 1325 CA GLY A 81 1.352 -5.737 -9.979 1.00 33.44 C ATOM 1326 C GLY A 81 -0.124 -5.800 -9.592 1.00 13.51 C ATOM 1327 O GLY A 81 -0.988 -5.365 -10.367 1.00 23.42 O ATOM 0 H GLY A 81 2.263 -5.902 -8.098 1.00 33.41 H new ATOM 0 HA2 GLY A 81 1.641 -4.693 -10.101 1.00 33.44 H new ATOM 0 HA3 GLY A 81 1.484 -6.220 -10.947 1.00 33.44 H new ATOM 1331 N ASP A 82 -0.417 -6.323 -8.389 1.00 34.44 N ATOM 1332 CA ASP A 82 -1.798 -6.570 -7.904 1.00 53.31 C ATOM 1333 C ASP A 82 -2.337 -5.346 -7.126 1.00 40.22 C ATOM 1334 O ASP A 82 -1.578 -4.446 -6.797 1.00 32.12 O ATOM 1335 CB ASP A 82 -1.791 -7.844 -7.018 1.00 64.40 C ATOM 1336 CG ASP A 82 -3.186 -8.346 -6.650 1.00 22.04 C ATOM 1337 OD1 ASP A 82 -3.826 -9.026 -7.485 1.00 71.35 O ATOM 1338 OD2 ASP A 82 -3.662 -8.061 -5.539 1.00 1.24 O ATOM 0 H ASP A 82 0.300 -6.591 -7.715 1.00 34.44 H new ATOM 0 HA ASP A 82 -2.464 -6.725 -8.753 1.00 53.31 H new ATOM 0 HB2 ASP A 82 -1.256 -8.636 -7.541 1.00 64.40 H new ATOM 0 HB3 ASP A 82 -1.237 -7.636 -6.103 1.00 64.40 H new ATOM 1343 N TYR A 83 -3.653 -5.322 -6.838 1.00 13.55 N ATOM 1344 CA TYR A 83 -4.343 -4.155 -6.248 1.00 24.04 C ATOM 1345 C TYR A 83 -4.564 -4.302 -4.729 1.00 20.42 C ATOM 1346 O TYR A 83 -4.634 -5.410 -4.197 1.00 15.43 O ATOM 1347 CB TYR A 83 -5.694 -3.949 -6.976 1.00 40.44 C ATOM 1348 CG TYR A 83 -5.553 -3.440 -8.421 1.00 51.11 C ATOM 1349 CD1 TYR A 83 -5.072 -4.272 -9.437 1.00 2.42 C ATOM 1350 CD2 TYR A 83 -5.896 -2.127 -8.769 1.00 14.43 C ATOM 1351 CE1 TYR A 83 -4.935 -3.821 -10.733 1.00 4.54 C ATOM 1352 CE2 TYR A 83 -5.762 -1.676 -10.068 1.00 74.43 C ATOM 1353 CZ TYR A 83 -5.282 -2.526 -11.046 1.00 3.04 C ATOM 1354 OH TYR A 83 -5.154 -2.076 -12.343 1.00 14.32 O ATOM 0 H TYR A 83 -4.271 -6.115 -7.008 1.00 13.55 H new ATOM 0 HA TYR A 83 -3.705 -3.282 -6.383 1.00 24.04 H new ATOM 0 HB2 TYR A 83 -6.238 -4.894 -6.985 1.00 40.44 H new ATOM 0 HB3 TYR A 83 -6.297 -3.240 -6.409 1.00 40.44 H new ATOM 0 HD1 TYR A 83 -4.802 -5.291 -9.201 1.00 2.42 H new ATOM 0 HD2 TYR A 83 -6.271 -1.457 -8.010 1.00 14.43 H new ATOM 0 HE1 TYR A 83 -4.557 -4.481 -11.500 1.00 4.54 H new ATOM 0 HE2 TYR A 83 -6.032 -0.661 -10.319 1.00 74.43 H new ATOM 0 HH TYR A 83 -5.442 -1.141 -12.395 1.00 14.32 H new ATOM 1364 N VAL A 84 -4.675 -3.137 -4.052 1.00 10.13 N ATOM 1365 CA VAL A 84 -4.973 -3.022 -2.607 1.00 12.21 C ATOM 1366 C VAL A 84 -6.109 -1.999 -2.407 1.00 73.02 C ATOM 1367 O VAL A 84 -6.337 -1.132 -3.270 1.00 62.10 O ATOM 1368 CB VAL A 84 -3.714 -2.562 -1.758 1.00 5.12 C ATOM 1369 CG1 VAL A 84 -2.500 -3.488 -1.963 1.00 23.14 C ATOM 1370 CG2 VAL A 84 -3.328 -1.083 -2.033 1.00 10.52 C ATOM 0 H VAL A 84 -4.557 -2.231 -4.505 1.00 10.13 H new ATOM 0 HA VAL A 84 -5.265 -4.012 -2.255 1.00 12.21 H new ATOM 0 HB VAL A 84 -4.015 -2.638 -0.713 1.00 5.12 H new ATOM 0 HG11 VAL A 84 -1.664 -3.131 -1.361 1.00 23.14 H new ATOM 0 HG12 VAL A 84 -2.760 -4.502 -1.658 1.00 23.14 H new ATOM 0 HG13 VAL A 84 -2.215 -3.487 -3.015 1.00 23.14 H new ATOM 0 HG21 VAL A 84 -2.461 -0.815 -1.429 1.00 10.52 H new ATOM 0 HG22 VAL A 84 -3.087 -0.960 -3.089 1.00 10.52 H new ATOM 0 HG23 VAL A 84 -4.165 -0.434 -1.774 1.00 10.52 H new ATOM 1380 N GLU A 85 -6.804 -2.095 -1.261 1.00 75.24 N ATOM 1381 CA GLU A 85 -7.856 -1.141 -0.868 1.00 23.44 C ATOM 1382 C GLU A 85 -7.373 -0.334 0.349 1.00 44.42 C ATOM 1383 O GLU A 85 -7.312 -0.861 1.463 1.00 32.11 O ATOM 1384 CB GLU A 85 -9.154 -1.912 -0.509 1.00 43.52 C ATOM 1385 CG GLU A 85 -9.670 -2.847 -1.618 1.00 12.02 C ATOM 1386 CD GLU A 85 -10.903 -3.644 -1.182 1.00 52.40 C ATOM 1387 OE1 GLU A 85 -10.732 -4.673 -0.493 1.00 52.11 O ATOM 1388 OE2 GLU A 85 -12.046 -3.237 -1.508 1.00 54.01 O ATOM 0 H GLU A 85 -6.652 -2.838 -0.579 1.00 75.24 H new ATOM 0 HA GLU A 85 -8.066 -0.463 -1.695 1.00 23.44 H new ATOM 0 HB2 GLU A 85 -8.974 -2.501 0.391 1.00 43.52 H new ATOM 0 HB3 GLU A 85 -9.935 -1.191 -0.267 1.00 43.52 H new ATOM 0 HG2 GLU A 85 -9.915 -2.258 -2.502 1.00 12.02 H new ATOM 0 HG3 GLU A 85 -8.877 -3.538 -1.905 1.00 12.02 H new ATOM 1395 N ILE A 86 -7.061 0.946 0.135 1.00 71.21 N ATOM 1396 CA ILE A 86 -6.604 1.846 1.198 1.00 21.41 C ATOM 1397 C ILE A 86 -7.841 2.503 1.827 1.00 62.42 C ATOM 1398 O ILE A 86 -8.359 3.500 1.324 1.00 22.40 O ATOM 1399 CB ILE A 86 -5.593 2.932 0.654 1.00 63.21 C ATOM 1400 CG1 ILE A 86 -4.372 2.233 -0.035 1.00 52.20 C ATOM 1401 CG2 ILE A 86 -5.131 3.894 1.784 1.00 34.24 C ATOM 1402 CD1 ILE A 86 -3.379 3.173 -0.696 1.00 33.14 C ATOM 0 H ILE A 86 -7.118 1.389 -0.782 1.00 71.21 H new ATOM 0 HA ILE A 86 -6.060 1.275 1.950 1.00 21.41 H new ATOM 0 HB ILE A 86 -6.108 3.539 -0.091 1.00 63.21 H new ATOM 0 HG12 ILE A 86 -3.845 1.639 0.712 1.00 52.20 H new ATOM 0 HG13 ILE A 86 -4.748 1.539 -0.787 1.00 52.20 H new ATOM 0 HG21 ILE A 86 -4.437 4.628 1.376 1.00 34.24 H new ATOM 0 HG22 ILE A 86 -5.997 4.407 2.202 1.00 34.24 H new ATOM 0 HG23 ILE A 86 -4.635 3.322 2.568 1.00 34.24 H new ATOM 0 HD11 ILE A 86 -2.572 2.593 -1.144 1.00 33.14 H new ATOM 0 HD12 ILE A 86 -3.884 3.750 -1.471 1.00 33.14 H new ATOM 0 HD13 ILE A 86 -2.967 3.851 0.051 1.00 33.14 H new ATOM 1414 N VAL A 87 -8.321 1.888 2.908 1.00 34.41 N ATOM 1415 CA VAL A 87 -9.472 2.366 3.672 1.00 74.35 C ATOM 1416 C VAL A 87 -9.052 3.601 4.495 1.00 34.41 C ATOM 1417 O VAL A 87 -7.981 3.598 5.114 1.00 52.42 O ATOM 1418 CB VAL A 87 -9.994 1.233 4.634 1.00 60.12 C ATOM 1419 CG1 VAL A 87 -11.253 1.673 5.414 1.00 33.53 C ATOM 1420 CG2 VAL A 87 -10.243 -0.085 3.859 1.00 40.11 C ATOM 0 H VAL A 87 -7.914 1.031 3.283 1.00 34.41 H new ATOM 0 HA VAL A 87 -10.275 2.637 2.987 1.00 74.35 H new ATOM 0 HB VAL A 87 -9.212 1.047 5.370 1.00 60.12 H new ATOM 0 HG11 VAL A 87 -11.579 0.862 6.065 1.00 33.53 H new ATOM 0 HG12 VAL A 87 -11.019 2.551 6.017 1.00 33.53 H new ATOM 0 HG13 VAL A 87 -12.050 1.917 4.711 1.00 33.53 H new ATOM 0 HG21 VAL A 87 -10.603 -0.850 4.548 1.00 40.11 H new ATOM 0 HG22 VAL A 87 -10.989 0.085 3.083 1.00 40.11 H new ATOM 0 HG23 VAL A 87 -9.312 -0.419 3.400 1.00 40.11 H new ATOM 1430 N LEU A 88 -9.882 4.664 4.458 1.00 32.31 N ATOM 1431 CA LEU A 88 -9.656 5.884 5.247 1.00 72.43 C ATOM 1432 C LEU A 88 -9.677 5.515 6.751 1.00 21.31 C ATOM 1433 O LEU A 88 -10.620 4.877 7.228 1.00 22.24 O ATOM 1434 CB LEU A 88 -10.738 6.957 4.883 1.00 61.02 C ATOM 1435 CG LEU A 88 -10.427 8.464 5.240 1.00 60.12 C ATOM 1436 CD1 LEU A 88 -10.433 8.746 6.763 1.00 44.23 C ATOM 1437 CD2 LEU A 88 -9.092 8.918 4.599 1.00 40.22 C ATOM 0 H LEU A 88 -10.723 4.697 3.882 1.00 32.31 H new ATOM 0 HA LEU A 88 -8.683 6.319 5.018 1.00 72.43 H new ATOM 0 HB2 LEU A 88 -10.922 6.898 3.810 1.00 61.02 H new ATOM 0 HB3 LEU A 88 -11.667 6.679 5.381 1.00 61.02 H new ATOM 0 HG LEU A 88 -11.241 9.053 4.817 1.00 60.12 H new ATOM 0 HD11 LEU A 88 -10.212 9.799 6.939 1.00 44.23 H new ATOM 0 HD12 LEU A 88 -11.414 8.507 7.173 1.00 44.23 H new ATOM 0 HD13 LEU A 88 -9.677 8.131 7.250 1.00 44.23 H new ATOM 0 HD21 LEU A 88 -8.899 9.959 4.859 1.00 40.22 H new ATOM 0 HD22 LEU A 88 -8.279 8.294 4.971 1.00 40.22 H new ATOM 0 HD23 LEU A 88 -9.157 8.821 3.515 1.00 40.22 H new