USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 927 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 47 HIS : no HE2:sc= 0.446 K(o=0.53,f=-3.5) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.112 K(o=0.53,f=1.9) USER MOD Set 1.3: A 76 ASN : amide:sc= -0.0232 K(o=0.53,f=1.9) USER MOD Set 2.1: A 18 MET CE :methyl -170:sc= -0.512 (180deg=-0.675) USER MOD Set 2.2: A 60 SER OG : rot 81:sc= -0.34 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -107:sc= 1.53 (180deg=0.000535) USER MOD Set 3.2: A 69 TYR OH : rot -174:sc= 1.54 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.11) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0383 (180deg=-0.252) USER MOD Single : A 3 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-0.058) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.609 K(o=-0.61,f=-0.097) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -69:sc= 0.0814 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc=-0.00489 (180deg=-0.134) USER MOD Single : A 26 THR OG1 : rot 67:sc= 0.246 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 19:sc= -0.151 USER MOD Single : A 46 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.92) USER MOD Single : A 56 CYS SG : rot 88:sc= 0.0686 USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.547 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.14) USER MOD Single : A 85 TYR OH : rot 180:sc=-0.00232 USER MOD Single : A 88 SER OG : rot 177:sc= 0.182 USER MOD Single : A 90 SER OG : rot 180:sc= -0.13 USER MOD Single : A 97 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00584) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 88:sc= 0.529 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.991 35.867 15.241 1.00 32.01 N ATOM 2 CA MET A 1 10.859 35.636 14.070 1.00 54.21 C ATOM 3 C MET A 1 11.807 34.461 14.392 1.00 34.11 C ATOM 4 O MET A 1 11.562 33.327 13.951 1.00 24.31 O ATOM 5 CB MET A 1 11.634 36.934 13.700 1.00 11.51 C ATOM 6 CG MET A 1 10.749 38.178 13.514 1.00 0.50 C ATOM 7 SD MET A 1 11.708 39.651 13.072 1.00 3.31 S ATOM 8 CE MET A 1 12.237 39.286 11.392 1.00 53.02 C ATOM 0 H1 MET A 1 9.217 36.509 14.978 1.00 32.01 H new ATOM 0 H2 MET A 1 9.595 34.961 15.564 1.00 32.01 H new ATOM 0 H3 MET A 1 10.549 36.293 16.008 1.00 32.01 H new ATOM 0 HA MET A 1 10.261 35.374 13.197 1.00 54.21 H new ATOM 0 HB2 MET A 1 12.366 37.139 14.481 1.00 11.51 H new ATOM 0 HB3 MET A 1 12.190 36.759 12.779 1.00 11.51 H new ATOM 0 HG2 MET A 1 10.011 37.982 12.736 1.00 0.50 H new ATOM 0 HG3 MET A 1 10.198 38.369 14.435 1.00 0.50 H new ATOM 0 HE1 MET A 1 12.678 40.178 10.948 1.00 53.02 H new ATOM 0 HE2 MET A 1 12.977 38.485 11.409 1.00 53.02 H new ATOM 0 HE3 MET A 1 11.377 38.973 10.800 1.00 53.02 H new ATOM 20 N GLY A 2 12.848 34.733 15.216 1.00 32.32 N ATOM 21 CA GLY A 2 13.788 33.704 15.685 1.00 74.12 C ATOM 22 C GLY A 2 14.522 32.960 14.560 1.00 62.22 C ATOM 23 O GLY A 2 15.522 33.451 14.027 1.00 4.10 O ATOM 0 H GLY A 2 13.053 35.668 15.568 1.00 32.32 H new ATOM 0 HA2 GLY A 2 14.526 34.172 16.337 1.00 74.12 H new ATOM 0 HA3 GLY A 2 13.243 32.979 16.289 1.00 74.12 H new ATOM 27 N HIS A 3 13.996 31.775 14.198 1.00 22.20 N ATOM 28 CA HIS A 3 14.587 30.884 13.178 1.00 61.11 C ATOM 29 C HIS A 3 14.069 31.232 11.767 1.00 52.20 C ATOM 30 O HIS A 3 13.101 31.990 11.612 1.00 32.01 O ATOM 31 CB HIS A 3 14.261 29.404 13.522 1.00 72.02 C ATOM 32 CG HIS A 3 12.814 29.004 13.299 1.00 52.34 C ATOM 33 ND1 HIS A 3 12.444 28.008 12.420 1.00 75.00 N ATOM 34 CD2 HIS A 3 11.655 29.468 13.840 1.00 71.14 C ATOM 35 CE1 HIS A 3 11.131 27.888 12.420 1.00 45.53 C ATOM 36 NE2 HIS A 3 10.632 28.758 13.270 1.00 43.34 N ATOM 0 H HIS A 3 13.139 31.404 14.609 1.00 22.20 H new ATOM 0 HA HIS A 3 15.668 31.026 13.181 1.00 61.11 H new ATOM 0 HB2 HIS A 3 14.899 28.757 12.921 1.00 72.02 H new ATOM 0 HB3 HIS A 3 14.517 29.223 14.566 1.00 72.02 H new ATOM 0 HD2 HIS A 3 11.560 30.249 14.580 1.00 71.14 H new ATOM 0 HE1 HIS A 3 10.561 27.192 11.822 1.00 45.53 H new ATOM 0 HE2 HIS A 3 9.640 28.884 13.473 1.00 43.34 H new ATOM 45 N HIS A 4 14.705 30.645 10.743 1.00 23.42 N ATOM 46 CA HIS A 4 14.350 30.876 9.332 1.00 11.02 C ATOM 47 C HIS A 4 13.619 29.657 8.758 1.00 5.55 C ATOM 48 O HIS A 4 14.237 28.647 8.401 1.00 1.14 O ATOM 49 CB HIS A 4 15.615 31.210 8.511 1.00 12.15 C ATOM 50 CG HIS A 4 16.291 32.482 8.955 1.00 15.33 C ATOM 51 ND1 HIS A 4 15.924 33.739 8.511 1.00 52.40 N ATOM 52 CD2 HIS A 4 17.291 32.689 9.848 1.00 44.04 C ATOM 53 CE1 HIS A 4 16.670 34.650 9.113 1.00 21.21 C ATOM 54 NE2 HIS A 4 17.499 34.036 9.922 1.00 23.40 N ATOM 0 H HIS A 4 15.481 29.995 10.868 1.00 23.42 H new ATOM 0 HA HIS A 4 13.674 31.729 9.272 1.00 11.02 H new ATOM 0 HB2 HIS A 4 16.321 30.384 8.591 1.00 12.15 H new ATOM 0 HB3 HIS A 4 15.345 31.298 7.459 1.00 12.15 H new ATOM 0 HD2 HIS A 4 17.824 31.928 10.399 1.00 44.04 H new ATOM 0 HE1 HIS A 4 16.607 35.718 8.964 1.00 21.21 H new ATOM 0 HE2 HIS A 4 18.192 34.494 10.515 1.00 23.40 H new ATOM 63 N HIS A 5 12.285 29.754 8.696 1.00 12.14 N ATOM 64 CA HIS A 5 11.427 28.667 8.203 1.00 74.21 C ATOM 65 C HIS A 5 11.269 28.758 6.673 1.00 51.41 C ATOM 66 O HIS A 5 10.481 29.561 6.158 1.00 2.25 O ATOM 67 CB HIS A 5 10.051 28.656 8.934 1.00 3.21 C ATOM 68 CG HIS A 5 9.224 29.929 8.846 1.00 13.04 C ATOM 69 ND1 HIS A 5 8.051 30.021 8.123 1.00 5.20 N ATOM 70 CD2 HIS A 5 9.412 31.157 9.395 1.00 45.12 C ATOM 71 CE1 HIS A 5 7.561 31.240 8.236 1.00 52.55 C ATOM 72 NE2 HIS A 5 8.364 31.945 9.001 1.00 13.31 N ATOM 0 H HIS A 5 11.770 30.586 8.985 1.00 12.14 H new ATOM 0 HA HIS A 5 11.910 27.716 8.429 1.00 74.21 H new ATOM 0 HB2 HIS A 5 9.457 27.835 8.531 1.00 3.21 H new ATOM 0 HB3 HIS A 5 10.226 28.435 9.987 1.00 3.21 H new ATOM 0 HD2 HIS A 5 10.236 31.457 10.026 1.00 45.12 H new ATOM 0 HE1 HIS A 5 6.652 31.599 7.777 1.00 52.55 H new ATOM 0 HE2 HIS A 5 8.228 32.922 9.260 1.00 13.31 H new ATOM 81 N HIS A 6 12.090 27.977 5.948 1.00 4.42 N ATOM 82 CA HIS A 6 11.961 27.831 4.488 1.00 1.42 C ATOM 83 C HIS A 6 10.829 26.825 4.176 1.00 11.03 C ATOM 84 O HIS A 6 11.059 25.623 4.002 1.00 53.32 O ATOM 85 CB HIS A 6 13.318 27.420 3.847 1.00 11.21 C ATOM 86 CG HIS A 6 14.443 28.420 4.047 1.00 31.10 C ATOM 87 ND1 HIS A 6 15.774 28.084 3.910 1.00 55.52 N ATOM 88 CD2 HIS A 6 14.429 29.747 4.353 1.00 71.22 C ATOM 89 CE1 HIS A 6 16.523 29.152 4.123 1.00 13.13 C ATOM 90 NE2 HIS A 6 15.734 30.173 4.392 1.00 1.23 N ATOM 0 H HIS A 6 12.853 27.435 6.353 1.00 4.42 H new ATOM 0 HA HIS A 6 11.693 28.790 4.044 1.00 1.42 H new ATOM 0 HB2 HIS A 6 13.625 26.460 4.263 1.00 11.21 H new ATOM 0 HB3 HIS A 6 13.169 27.271 2.778 1.00 11.21 H new ATOM 0 HD2 HIS A 6 13.553 30.353 4.532 1.00 71.22 H new ATOM 0 HE1 HIS A 6 17.602 29.183 4.083 1.00 13.13 H new ATOM 0 HE2 HIS A 6 16.042 31.124 4.596 1.00 1.23 H new ATOM 99 N HIS A 7 9.592 27.354 4.191 1.00 3.33 N ATOM 100 CA HIS A 7 8.349 26.591 3.991 1.00 62.04 C ATOM 101 C HIS A 7 7.341 27.480 3.263 1.00 2.41 C ATOM 102 O HIS A 7 6.850 28.467 3.828 1.00 60.25 O ATOM 103 CB HIS A 7 7.747 26.108 5.347 1.00 10.14 C ATOM 104 CG HIS A 7 8.361 24.848 5.903 1.00 72.33 C ATOM 105 ND1 HIS A 7 9.208 24.816 6.996 1.00 23.45 N ATOM 106 CD2 HIS A 7 8.213 23.560 5.517 1.00 13.04 C ATOM 107 CE1 HIS A 7 9.548 23.564 7.247 1.00 31.52 C ATOM 108 NE2 HIS A 7 8.952 22.782 6.367 1.00 3.11 N ATOM 0 H HIS A 7 9.426 28.348 4.346 1.00 3.33 H new ATOM 0 HA HIS A 7 8.574 25.705 3.398 1.00 62.04 H new ATOM 0 HB2 HIS A 7 7.860 26.905 6.082 1.00 10.14 H new ATOM 0 HB3 HIS A 7 6.677 25.946 5.215 1.00 10.14 H new ATOM 0 HD2 HIS A 7 7.618 23.208 4.687 1.00 13.04 H new ATOM 0 HE1 HIS A 7 10.204 23.236 8.040 1.00 31.52 H new ATOM 0 HE2 HIS A 7 9.029 21.766 6.327 1.00 3.11 H new ATOM 117 N HIS A 8 7.071 27.150 1.996 1.00 21.32 N ATOM 118 CA HIS A 8 5.987 27.774 1.222 1.00 42.41 C ATOM 119 C HIS A 8 4.635 27.232 1.713 1.00 50.41 C ATOM 120 O HIS A 8 3.633 27.962 1.751 1.00 62.31 O ATOM 121 CB HIS A 8 6.178 27.521 -0.291 1.00 55.53 C ATOM 122 CG HIS A 8 7.299 28.324 -0.905 1.00 73.42 C ATOM 123 ND1 HIS A 8 7.084 29.404 -1.738 1.00 13.03 N ATOM 124 CD2 HIS A 8 8.644 28.208 -0.791 1.00 52.21 C ATOM 125 CE1 HIS A 8 8.246 29.918 -2.099 1.00 21.10 C ATOM 126 NE2 HIS A 8 9.207 29.208 -1.540 1.00 42.11 N ATOM 0 H HIS A 8 7.595 26.445 1.477 1.00 21.32 H new ATOM 0 HA HIS A 8 6.009 28.853 1.375 1.00 42.41 H new ATOM 0 HB2 HIS A 8 6.373 26.461 -0.451 1.00 55.53 H new ATOM 0 HB3 HIS A 8 5.249 27.756 -0.810 1.00 55.53 H new ATOM 0 HD2 HIS A 8 9.175 27.464 -0.216 1.00 52.21 H new ATOM 0 HE1 HIS A 8 8.386 30.774 -2.742 1.00 21.10 H new ATOM 0 HE2 HIS A 8 10.207 29.376 -1.648 1.00 42.11 H new ATOM 135 N SER A 9 4.633 25.941 2.091 1.00 62.55 N ATOM 136 CA SER A 9 3.527 25.334 2.829 1.00 73.43 C ATOM 137 C SER A 9 3.645 25.764 4.302 1.00 55.34 C ATOM 138 O SER A 9 4.382 25.160 5.089 1.00 60.24 O ATOM 139 CB SER A 9 3.528 23.794 2.689 1.00 33.32 C ATOM 140 OG SER A 9 2.423 23.212 3.375 1.00 61.10 O ATOM 0 H SER A 9 5.398 25.297 1.891 1.00 62.55 H new ATOM 0 HA SER A 9 2.578 25.677 2.417 1.00 73.43 H new ATOM 0 HB2 SER A 9 3.488 23.522 1.634 1.00 33.32 H new ATOM 0 HB3 SER A 9 4.459 23.391 3.087 1.00 33.32 H new ATOM 0 HG SER A 9 2.550 23.310 4.342 1.00 61.10 H new ATOM 146 N HIS A 10 2.963 26.874 4.621 1.00 21.13 N ATOM 147 CA HIS A 10 2.889 27.431 5.985 1.00 34.14 C ATOM 148 C HIS A 10 2.020 26.526 6.882 1.00 45.52 C ATOM 149 O HIS A 10 2.173 26.512 8.108 1.00 13.23 O ATOM 150 CB HIS A 10 2.333 28.870 5.931 1.00 12.34 C ATOM 151 CG HIS A 10 3.101 29.758 4.987 1.00 41.13 C ATOM 152 ND1 HIS A 10 2.540 30.341 3.866 1.00 73.23 N ATOM 153 CD2 HIS A 10 4.403 30.131 4.982 1.00 22.15 C ATOM 154 CE1 HIS A 10 3.462 31.028 3.221 1.00 35.23 C ATOM 155 NE2 HIS A 10 4.598 30.915 3.875 1.00 52.53 N ATOM 0 H HIS A 10 2.441 27.418 3.934 1.00 21.13 H new ATOM 0 HA HIS A 10 3.889 27.468 6.418 1.00 34.14 H new ATOM 0 HB2 HIS A 10 1.288 28.839 5.624 1.00 12.34 H new ATOM 0 HB3 HIS A 10 2.359 29.302 6.931 1.00 12.34 H new ATOM 0 HD2 HIS A 10 5.149 29.861 5.715 1.00 22.15 H new ATOM 0 HE1 HIS A 10 3.310 31.588 2.310 1.00 35.23 H new ATOM 0 HE2 HIS A 10 5.483 31.343 3.602 1.00 52.53 H new ATOM 164 N MET A 11 1.102 25.787 6.227 1.00 64.34 N ATOM 165 CA MET A 11 0.373 24.653 6.822 1.00 11.44 C ATOM 166 C MET A 11 1.352 23.531 7.231 1.00 62.53 C ATOM 167 O MET A 11 2.391 23.352 6.580 1.00 73.12 O ATOM 168 CB MET A 11 -0.632 24.052 5.783 1.00 11.41 C ATOM 169 CG MET A 11 -1.927 24.836 5.554 1.00 71.10 C ATOM 170 SD MET A 11 -2.980 24.022 4.322 1.00 23.15 S ATOM 171 CE MET A 11 -4.570 24.808 4.596 1.00 41.44 C ATOM 0 H MET A 11 0.844 25.965 5.256 1.00 64.34 H new ATOM 0 HA MET A 11 -0.158 25.025 7.698 1.00 11.44 H new ATOM 0 HB2 MET A 11 -0.118 23.956 4.827 1.00 11.41 H new ATOM 0 HB3 MET A 11 -0.895 23.045 6.106 1.00 11.41 H new ATOM 0 HG2 MET A 11 -2.470 24.929 6.495 1.00 71.10 H new ATOM 0 HG3 MET A 11 -1.689 25.847 5.222 1.00 71.10 H new ATOM 0 HE1 MET A 11 -5.304 24.397 3.903 1.00 41.44 H new ATOM 0 HE2 MET A 11 -4.895 24.624 5.620 1.00 41.44 H new ATOM 0 HE3 MET A 11 -4.478 25.882 4.432 1.00 41.44 H new ATOM 181 N PRO A 12 1.025 22.744 8.306 1.00 33.34 N ATOM 182 CA PRO A 12 1.636 21.409 8.518 1.00 62.22 C ATOM 183 C PRO A 12 1.272 20.477 7.331 1.00 2.23 C ATOM 184 O PRO A 12 2.071 19.620 6.919 1.00 51.15 O ATOM 185 CB PRO A 12 1.023 20.934 9.869 1.00 15.44 C ATOM 186 CG PRO A 12 -0.215 21.766 10.057 1.00 42.31 C ATOM 187 CD PRO A 12 0.080 23.102 9.405 1.00 22.21 C ATOM 0 HA PRO A 12 2.725 21.415 8.560 1.00 62.22 H new ATOM 0 HB2 PRO A 12 0.782 19.871 9.840 1.00 15.44 H new ATOM 0 HB3 PRO A 12 1.723 21.079 10.691 1.00 15.44 H new ATOM 0 HG2 PRO A 12 -1.080 21.289 9.596 1.00 42.31 H new ATOM 0 HG3 PRO A 12 -0.445 21.890 11.115 1.00 42.31 H new ATOM 0 HD2 PRO A 12 -0.826 23.571 9.020 1.00 22.21 H new ATOM 0 HD3 PRO A 12 0.528 23.803 10.109 1.00 22.21 H new ATOM 195 N LYS A 13 0.039 20.698 6.802 1.00 60.41 N ATOM 196 CA LYS A 13 -0.466 20.136 5.534 1.00 41.55 C ATOM 197 C LYS A 13 -0.741 18.613 5.639 1.00 65.23 C ATOM 198 O LYS A 13 -0.279 17.939 6.571 1.00 41.54 O ATOM 199 CB LYS A 13 0.496 20.502 4.341 1.00 22.44 C ATOM 200 CG LYS A 13 -0.085 20.235 2.937 1.00 22.32 C ATOM 201 CD LYS A 13 0.894 20.580 1.790 1.00 52.03 C ATOM 202 CE LYS A 13 0.318 20.244 0.404 1.00 43.33 C ATOM 203 NZ LYS A 13 1.289 20.542 -0.682 1.00 43.43 N ATOM 0 H LYS A 13 -0.648 21.292 7.266 1.00 60.41 H new ATOM 0 HA LYS A 13 -1.432 20.595 5.323 1.00 41.55 H new ATOM 0 HB2 LYS A 13 0.759 21.557 4.415 1.00 22.44 H new ATOM 0 HB3 LYS A 13 1.420 19.934 4.451 1.00 22.44 H new ATOM 0 HG2 LYS A 13 -0.365 19.184 2.862 1.00 22.32 H new ATOM 0 HG3 LYS A 13 -0.998 20.818 2.813 1.00 22.32 H new ATOM 0 HD2 LYS A 13 1.137 21.642 1.831 1.00 52.03 H new ATOM 0 HD3 LYS A 13 1.826 20.033 1.935 1.00 52.03 H new ATOM 0 HE2 LYS A 13 0.045 19.189 0.369 1.00 43.33 H new ATOM 0 HE3 LYS A 13 -0.596 20.815 0.242 1.00 43.33 H new ATOM 0 HZ1 LYS A 13 0.866 20.303 -1.601 1.00 43.43 H new ATOM 0 HZ2 LYS A 13 1.530 21.554 -0.664 1.00 43.43 H new ATOM 0 HZ3 LYS A 13 2.151 19.978 -0.541 1.00 43.43 H new ATOM 217 N ALA A 14 -1.549 18.094 4.688 1.00 11.43 N ATOM 218 CA ALA A 14 -1.799 16.649 4.526 1.00 22.41 C ATOM 219 C ALA A 14 -0.494 15.877 4.244 1.00 53.44 C ATOM 220 O ALA A 14 -0.405 14.703 4.588 1.00 45.33 O ATOM 221 CB ALA A 14 -2.805 16.417 3.389 1.00 32.31 C ATOM 0 H ALA A 14 -2.047 18.670 4.010 1.00 11.43 H new ATOM 0 HA ALA A 14 -2.214 16.272 5.461 1.00 22.41 H new ATOM 0 HB1 ALA A 14 -2.985 15.348 3.275 1.00 32.31 H new ATOM 0 HB2 ALA A 14 -3.743 16.920 3.625 1.00 32.31 H new ATOM 0 HB3 ALA A 14 -2.402 16.818 2.459 1.00 32.31 H new ATOM 227 N THR A 15 0.502 16.565 3.629 1.00 32.24 N ATOM 228 CA THR A 15 1.800 15.973 3.258 1.00 14.15 C ATOM 229 C THR A 15 2.492 15.328 4.476 1.00 64.23 C ATOM 230 O THR A 15 2.724 14.131 4.462 1.00 54.04 O ATOM 231 CB THR A 15 2.765 17.028 2.595 1.00 54.44 C ATOM 232 OG1 THR A 15 2.146 17.622 1.446 1.00 74.42 O ATOM 233 CG2 THR A 15 4.105 16.410 2.148 1.00 62.03 C ATOM 0 H THR A 15 0.420 17.550 3.378 1.00 32.24 H new ATOM 0 HA THR A 15 1.586 15.199 2.521 1.00 14.15 H new ATOM 0 HB THR A 15 2.965 17.777 3.361 1.00 54.44 H new ATOM 0 HG1 THR A 15 2.757 18.276 1.047 1.00 74.42 H new ATOM 0 HG21 THR A 15 4.730 17.182 1.699 1.00 62.03 H new ATOM 0 HG22 THR A 15 4.617 15.987 3.012 1.00 62.03 H new ATOM 0 HG23 THR A 15 3.917 15.624 1.417 1.00 62.03 H new ATOM 241 N ALA A 16 2.758 16.125 5.538 1.00 4.32 N ATOM 242 CA ALA A 16 3.512 15.667 6.733 1.00 41.14 C ATOM 243 C ALA A 16 2.803 14.502 7.466 1.00 63.55 C ATOM 244 O ALA A 16 3.442 13.511 7.855 1.00 41.13 O ATOM 245 CB ALA A 16 3.740 16.839 7.700 1.00 44.14 C ATOM 0 H ALA A 16 2.459 17.099 5.592 1.00 4.32 H new ATOM 0 HA ALA A 16 4.473 15.292 6.382 1.00 41.14 H new ATOM 0 HB1 ALA A 16 4.294 16.489 8.571 1.00 44.14 H new ATOM 0 HB2 ALA A 16 4.310 17.620 7.197 1.00 44.14 H new ATOM 0 HB3 ALA A 16 2.778 17.240 8.019 1.00 44.14 H new ATOM 251 N GLN A 17 1.471 14.641 7.608 1.00 64.41 N ATOM 252 CA GLN A 17 0.601 13.660 8.289 1.00 74.32 C ATOM 253 C GLN A 17 0.654 12.291 7.570 1.00 2.20 C ATOM 254 O GLN A 17 0.980 11.257 8.174 1.00 20.11 O ATOM 255 CB GLN A 17 -0.865 14.190 8.320 1.00 64.43 C ATOM 256 CG GLN A 17 -1.050 15.561 9.020 1.00 20.41 C ATOM 257 CD GLN A 17 -2.505 16.061 9.019 1.00 22.34 C ATOM 258 OE1 GLN A 17 -3.451 15.269 9.040 1.00 11.12 O ATOM 259 NE2 GLN A 17 -2.693 17.378 8.992 1.00 64.41 N ATOM 0 H GLN A 17 0.961 15.448 7.249 1.00 64.41 H new ATOM 0 HA GLN A 17 0.958 13.526 9.310 1.00 74.32 H new ATOM 0 HB2 GLN A 17 -1.229 14.270 7.296 1.00 64.43 H new ATOM 0 HB3 GLN A 17 -1.491 13.454 8.824 1.00 64.43 H new ATOM 0 HG2 GLN A 17 -0.702 15.484 10.050 1.00 20.41 H new ATOM 0 HG3 GLN A 17 -0.420 16.300 8.525 1.00 20.41 H new ATOM 0 HE21 GLN A 17 -1.891 18.007 8.975 1.00 64.41 H new ATOM 0 HE22 GLN A 17 -3.640 17.758 8.988 1.00 64.41 H new ATOM 268 N MET A 18 0.360 12.339 6.262 1.00 3.30 N ATOM 269 CA MET A 18 0.329 11.165 5.369 1.00 44.32 C ATOM 270 C MET A 18 1.739 10.558 5.213 1.00 73.34 C ATOM 271 O MET A 18 1.888 9.334 5.146 1.00 4.34 O ATOM 272 CB MET A 18 -0.278 11.597 4.000 1.00 33.12 C ATOM 273 CG MET A 18 -0.369 10.508 2.905 1.00 14.33 C ATOM 274 SD MET A 18 1.228 10.036 2.196 1.00 2.54 S ATOM 275 CE MET A 18 1.734 11.577 1.432 1.00 2.32 C ATOM 0 H MET A 18 0.132 13.211 5.784 1.00 3.30 H new ATOM 0 HA MET A 18 -0.298 10.384 5.799 1.00 44.32 H new ATOM 0 HB2 MET A 18 -1.281 11.983 4.180 1.00 33.12 H new ATOM 0 HB3 MET A 18 0.317 12.423 3.610 1.00 33.12 H new ATOM 0 HG2 MET A 18 -0.843 9.622 3.328 1.00 14.33 H new ATOM 0 HG3 MET A 18 -1.018 10.866 2.105 1.00 14.33 H new ATOM 0 HE1 MET A 18 2.609 11.403 0.806 1.00 2.32 H new ATOM 0 HE2 MET A 18 0.920 11.963 0.818 1.00 2.32 H new ATOM 0 HE3 MET A 18 1.981 12.303 2.206 1.00 2.32 H new ATOM 285 N GLU A 19 2.764 11.433 5.225 1.00 61.15 N ATOM 286 CA GLU A 19 4.173 11.045 5.037 1.00 74.10 C ATOM 287 C GLU A 19 4.653 10.199 6.213 1.00 11.21 C ATOM 288 O GLU A 19 5.294 9.167 6.014 1.00 52.34 O ATOM 289 CB GLU A 19 5.074 12.303 4.912 1.00 30.34 C ATOM 290 CG GLU A 19 6.551 12.000 4.601 1.00 71.02 C ATOM 291 CD GLU A 19 7.466 13.222 4.743 1.00 74.30 C ATOM 292 OE1 GLU A 19 7.996 13.447 5.854 1.00 41.11 O ATOM 293 OE2 GLU A 19 7.698 13.942 3.741 1.00 24.55 O ATOM 0 H GLU A 19 2.635 12.435 5.366 1.00 61.15 H new ATOM 0 HA GLU A 19 4.242 10.462 4.119 1.00 74.10 H new ATOM 0 HB2 GLU A 19 4.674 12.944 4.127 1.00 30.34 H new ATOM 0 HB3 GLU A 19 5.020 12.867 5.843 1.00 30.34 H new ATOM 0 HG2 GLU A 19 6.901 11.213 5.269 1.00 71.02 H new ATOM 0 HG3 GLU A 19 6.629 11.613 3.585 1.00 71.02 H new ATOM 300 N GLU A 20 4.345 10.667 7.440 1.00 41.20 N ATOM 301 CA GLU A 20 4.746 9.964 8.668 1.00 41.31 C ATOM 302 C GLU A 20 3.913 8.691 8.880 1.00 12.32 C ATOM 303 O GLU A 20 4.454 7.672 9.330 1.00 3.24 O ATOM 304 CB GLU A 20 4.706 10.882 9.909 1.00 1.30 C ATOM 305 CG GLU A 20 5.741 12.033 9.875 1.00 65.34 C ATOM 306 CD GLU A 20 6.054 12.585 11.277 1.00 1.44 C ATOM 307 OE1 GLU A 20 6.916 11.999 11.970 1.00 45.23 O ATOM 308 OE2 GLU A 20 5.431 13.579 11.703 1.00 53.14 O ATOM 0 H GLU A 20 3.821 11.527 7.603 1.00 41.20 H new ATOM 0 HA GLU A 20 5.785 9.663 8.536 1.00 41.31 H new ATOM 0 HB2 GLU A 20 3.707 11.308 10.001 1.00 1.30 H new ATOM 0 HB3 GLU A 20 4.878 10.279 10.800 1.00 1.30 H new ATOM 0 HG2 GLU A 20 6.662 11.676 9.415 1.00 65.34 H new ATOM 0 HG3 GLU A 20 5.363 12.839 9.247 1.00 65.34 H new ATOM 315 N LYS A 21 2.612 8.747 8.529 1.00 33.43 N ATOM 316 CA LYS A 21 1.736 7.556 8.525 1.00 64.24 C ATOM 317 C LYS A 21 2.330 6.463 7.617 1.00 74.13 C ATOM 318 O LYS A 21 2.438 5.294 8.015 1.00 23.14 O ATOM 319 CB LYS A 21 0.296 7.937 8.048 1.00 1.24 C ATOM 320 CG LYS A 21 -0.642 8.457 9.161 1.00 14.13 C ATOM 321 CD LYS A 21 -1.041 7.340 10.152 1.00 12.34 C ATOM 322 CE LYS A 21 -1.765 7.874 11.395 1.00 24.54 C ATOM 323 NZ LYS A 21 -0.857 8.687 12.248 1.00 54.32 N ATOM 0 H LYS A 21 2.143 9.607 8.244 1.00 33.43 H new ATOM 0 HA LYS A 21 1.670 7.169 9.542 1.00 64.24 H new ATOM 0 HB2 LYS A 21 0.376 8.700 7.274 1.00 1.24 H new ATOM 0 HB3 LYS A 21 -0.162 7.062 7.587 1.00 1.24 H new ATOM 0 HG2 LYS A 21 -0.148 9.263 9.703 1.00 14.13 H new ATOM 0 HG3 LYS A 21 -1.540 8.879 8.710 1.00 14.13 H new ATOM 0 HD2 LYS A 21 -1.685 6.623 9.643 1.00 12.34 H new ATOM 0 HD3 LYS A 21 -0.146 6.801 10.463 1.00 12.34 H new ATOM 0 HE2 LYS A 21 -2.617 8.480 11.088 1.00 24.54 H new ATOM 0 HE3 LYS A 21 -2.159 7.039 11.974 1.00 24.54 H new ATOM 0 HZ1 LYS A 21 -1.309 8.861 13.168 1.00 54.32 H new ATOM 0 HZ2 LYS A 21 0.036 8.174 12.392 1.00 54.32 H new ATOM 0 HZ3 LYS A 21 -0.662 9.595 11.780 1.00 54.32 H new ATOM 337 N LEU A 22 2.761 6.888 6.419 1.00 0.03 N ATOM 338 CA LEU A 22 3.274 5.987 5.385 1.00 2.45 C ATOM 339 C LEU A 22 4.653 5.437 5.796 1.00 52.30 C ATOM 340 O LEU A 22 4.871 4.229 5.738 1.00 24.24 O ATOM 341 CB LEU A 22 3.312 6.725 4.007 1.00 74.45 C ATOM 342 CG LEU A 22 3.340 5.835 2.718 1.00 12.04 C ATOM 343 CD1 LEU A 22 3.018 6.658 1.449 1.00 32.11 C ATOM 344 CD2 LEU A 22 4.693 5.121 2.569 1.00 72.01 C ATOM 0 H LEU A 22 2.762 7.870 6.143 1.00 0.03 H new ATOM 0 HA LEU A 22 2.607 5.131 5.278 1.00 2.45 H new ATOM 0 HB2 LEU A 22 2.440 7.376 3.949 1.00 74.45 H new ATOM 0 HB3 LEU A 22 4.192 7.368 3.993 1.00 74.45 H new ATOM 0 HG LEU A 22 2.563 5.079 2.831 1.00 12.04 H new ATOM 0 HD11 LEU A 22 3.047 6.006 0.576 1.00 32.11 H new ATOM 0 HD12 LEU A 22 2.024 7.096 1.542 1.00 32.11 H new ATOM 0 HD13 LEU A 22 3.755 7.452 1.334 1.00 32.11 H new ATOM 0 HD21 LEU A 22 4.685 4.510 1.666 1.00 72.01 H new ATOM 0 HD22 LEU A 22 5.490 5.862 2.499 1.00 72.01 H new ATOM 0 HD23 LEU A 22 4.866 4.484 3.436 1.00 72.01 H new ATOM 356 N ARG A 23 5.580 6.319 6.222 1.00 4.14 N ATOM 357 CA ARG A 23 6.962 5.899 6.550 1.00 5.03 C ATOM 358 C ARG A 23 6.969 4.979 7.792 1.00 70.33 C ATOM 359 O ARG A 23 7.819 4.100 7.892 1.00 31.02 O ATOM 360 CB ARG A 23 7.917 7.114 6.746 1.00 14.23 C ATOM 361 CG ARG A 23 7.723 7.899 8.061 1.00 63.34 C ATOM 362 CD ARG A 23 8.768 9.010 8.281 1.00 3.42 C ATOM 363 NE ARG A 23 8.611 9.664 9.604 1.00 50.32 N ATOM 364 CZ ARG A 23 9.439 9.506 10.659 1.00 11.12 C ATOM 365 NH1 ARG A 23 10.508 8.718 10.585 1.00 61.24 N ATOM 366 NH2 ARG A 23 9.180 10.146 11.794 1.00 3.25 N ATOM 0 H ARG A 23 5.402 7.316 6.347 1.00 4.14 H new ATOM 0 HA ARG A 23 7.342 5.335 5.698 1.00 5.03 H new ATOM 0 HB2 ARG A 23 8.946 6.757 6.703 1.00 14.23 H new ATOM 0 HB3 ARG A 23 7.783 7.800 5.909 1.00 14.23 H new ATOM 0 HG2 ARG A 23 6.728 8.343 8.065 1.00 63.34 H new ATOM 0 HG3 ARG A 23 7.765 7.203 8.899 1.00 63.34 H new ATOM 0 HD2 ARG A 23 9.769 8.587 8.202 1.00 3.42 H new ATOM 0 HD3 ARG A 23 8.674 9.757 7.493 1.00 3.42 H new ATOM 0 HE ARG A 23 7.811 10.285 9.727 1.00 50.32 H new ATOM 0 HH11 ARG A 23 10.715 8.219 9.720 1.00 61.24 H new ATOM 0 HH12 ARG A 23 11.121 8.612 11.394 1.00 61.24 H new ATOM 0 HH21 ARG A 23 8.361 10.751 11.863 1.00 3.25 H new ATOM 0 HH22 ARG A 23 9.800 10.033 12.596 1.00 3.25 H new ATOM 380 N ASP A 24 5.999 5.192 8.718 1.00 63.21 N ATOM 381 CA ASP A 24 5.805 4.333 9.908 1.00 70.31 C ATOM 382 C ASP A 24 5.279 2.945 9.491 1.00 3.02 C ATOM 383 O ASP A 24 5.791 1.911 9.944 1.00 33.33 O ATOM 384 CB ASP A 24 4.815 5.008 10.888 1.00 52.23 C ATOM 385 CG ASP A 24 4.542 4.176 12.151 1.00 30.44 C ATOM 386 OD1 ASP A 24 5.474 4.007 12.969 1.00 53.42 O ATOM 387 OD2 ASP A 24 3.408 3.693 12.332 1.00 43.30 O ATOM 0 H ASP A 24 5.333 5.962 8.658 1.00 63.21 H new ATOM 0 HA ASP A 24 6.765 4.202 10.407 1.00 70.31 H new ATOM 0 HB2 ASP A 24 5.212 5.980 11.181 1.00 52.23 H new ATOM 0 HB3 ASP A 24 3.873 5.191 10.372 1.00 52.23 H new ATOM 392 N PHE A 25 4.248 2.970 8.622 1.00 23.43 N ATOM 393 CA PHE A 25 3.651 1.780 7.970 1.00 63.21 C ATOM 394 C PHE A 25 4.745 0.894 7.334 1.00 4.22 C ATOM 395 O PHE A 25 4.780 -0.325 7.531 1.00 13.13 O ATOM 396 CB PHE A 25 2.635 2.283 6.892 1.00 74.34 C ATOM 397 CG PHE A 25 2.105 1.226 5.928 1.00 34.24 C ATOM 398 CD1 PHE A 25 0.971 0.492 6.238 1.00 30.53 C ATOM 399 CD2 PHE A 25 2.758 0.954 4.714 1.00 41.22 C ATOM 400 CE1 PHE A 25 0.506 -0.474 5.383 1.00 1.13 C ATOM 401 CE2 PHE A 25 2.285 -0.018 3.858 1.00 53.45 C ATOM 402 CZ PHE A 25 1.159 -0.735 4.194 1.00 54.33 C ATOM 0 H PHE A 25 3.794 3.840 8.345 1.00 23.43 H new ATOM 0 HA PHE A 25 3.136 1.165 8.708 1.00 63.21 H new ATOM 0 HB2 PHE A 25 1.787 2.737 7.405 1.00 74.34 H new ATOM 0 HB3 PHE A 25 3.114 3.070 6.309 1.00 74.34 H new ATOM 0 HD1 PHE A 25 0.448 0.683 7.163 1.00 30.53 H new ATOM 0 HD2 PHE A 25 3.642 1.514 4.448 1.00 41.22 H new ATOM 0 HE1 PHE A 25 -0.379 -1.036 5.642 1.00 1.13 H new ATOM 0 HE2 PHE A 25 2.796 -0.216 2.927 1.00 53.45 H new ATOM 0 HZ PHE A 25 0.787 -1.500 3.529 1.00 54.33 H new ATOM 412 N THR A 26 5.632 1.557 6.583 1.00 74.11 N ATOM 413 CA THR A 26 6.706 0.926 5.815 1.00 10.23 C ATOM 414 C THR A 26 7.816 0.386 6.748 1.00 60.42 C ATOM 415 O THR A 26 8.256 -0.765 6.598 1.00 2.13 O ATOM 416 CB THR A 26 7.281 1.963 4.794 1.00 4.43 C ATOM 417 OG1 THR A 26 6.234 2.410 3.915 1.00 63.04 O ATOM 418 CG2 THR A 26 8.425 1.402 3.946 1.00 64.54 C ATOM 0 H THR A 26 5.620 2.573 6.492 1.00 74.11 H new ATOM 0 HA THR A 26 6.304 0.072 5.270 1.00 10.23 H new ATOM 0 HB THR A 26 7.681 2.788 5.383 1.00 4.43 H new ATOM 0 HG1 THR A 26 5.581 2.934 4.424 1.00 63.04 H new ATOM 0 HG21 THR A 26 8.779 2.170 3.259 1.00 64.54 H new ATOM 0 HG22 THR A 26 9.243 1.093 4.597 1.00 64.54 H new ATOM 0 HG23 THR A 26 8.069 0.543 3.377 1.00 64.54 H new ATOM 426 N ARG A 27 8.199 1.220 7.748 1.00 1.53 N ATOM 427 CA ARG A 27 9.285 0.929 8.731 1.00 1.23 C ATOM 428 C ARG A 27 9.008 -0.349 9.555 1.00 3.35 C ATOM 429 O ARG A 27 9.940 -0.956 10.102 1.00 3.40 O ATOM 430 CB ARG A 27 9.478 2.170 9.666 1.00 23.43 C ATOM 431 CG ARG A 27 10.648 2.131 10.690 1.00 24.30 C ATOM 432 CD ARG A 27 12.039 1.841 10.068 1.00 53.02 C ATOM 433 NE ARG A 27 12.368 0.407 10.133 1.00 72.21 N ATOM 434 CZ ARG A 27 12.986 -0.302 9.182 1.00 62.15 C ATOM 435 NH1 ARG A 27 13.391 0.256 8.057 1.00 60.10 N ATOM 436 NH2 ARG A 27 13.223 -1.584 9.384 1.00 61.23 N ATOM 0 H ARG A 27 7.759 2.127 7.900 1.00 1.53 H new ATOM 0 HA ARG A 27 10.204 0.740 8.177 1.00 1.23 H new ATOM 0 HB2 ARG A 27 9.615 3.047 9.034 1.00 23.43 H new ATOM 0 HB3 ARG A 27 8.552 2.318 10.221 1.00 23.43 H new ATOM 0 HG2 ARG A 27 10.690 3.087 11.211 1.00 24.30 H new ATOM 0 HG3 ARG A 27 10.433 1.369 11.439 1.00 24.30 H new ATOM 0 HD2 ARG A 27 12.051 2.172 9.030 1.00 53.02 H new ATOM 0 HD3 ARG A 27 12.802 2.415 10.594 1.00 53.02 H new ATOM 0 HE ARG A 27 12.100 -0.092 10.982 1.00 72.21 H new ATOM 0 HH11 ARG A 27 13.235 1.251 7.896 1.00 60.10 H new ATOM 0 HH12 ARG A 27 13.860 -0.308 7.348 1.00 60.10 H new ATOM 0 HH21 ARG A 27 12.936 -2.024 10.258 1.00 61.23 H new ATOM 0 HH22 ARG A 27 13.694 -2.135 8.666 1.00 61.23 H new ATOM 450 N ALA A 28 7.728 -0.760 9.614 1.00 14.25 N ATOM 451 CA ALA A 28 7.303 -1.980 10.317 1.00 64.01 C ATOM 452 C ALA A 28 8.077 -3.230 9.833 1.00 15.44 C ATOM 453 O ALA A 28 8.380 -4.119 10.632 1.00 50.01 O ATOM 454 CB ALA A 28 5.796 -2.174 10.138 1.00 43.50 C ATOM 0 H ALA A 28 6.960 -0.253 9.174 1.00 14.25 H new ATOM 0 HA ALA A 28 7.532 -1.858 11.376 1.00 64.01 H new ATOM 0 HB1 ALA A 28 5.481 -3.078 10.659 1.00 43.50 H new ATOM 0 HB2 ALA A 28 5.267 -1.315 10.550 1.00 43.50 H new ATOM 0 HB3 ALA A 28 5.565 -2.267 9.077 1.00 43.50 H new ATOM 460 N TYR A 29 8.364 -3.293 8.507 1.00 4.12 N ATOM 461 CA TYR A 29 9.150 -4.402 7.898 1.00 63.35 C ATOM 462 C TYR A 29 10.230 -3.826 6.967 1.00 73.45 C ATOM 463 O TYR A 29 11.426 -3.881 7.279 1.00 21.52 O ATOM 464 CB TYR A 29 8.244 -5.393 7.071 1.00 1.22 C ATOM 465 CG TYR A 29 6.806 -5.434 7.536 1.00 54.31 C ATOM 466 CD1 TYR A 29 5.888 -4.519 7.030 1.00 33.04 C ATOM 467 CD2 TYR A 29 6.376 -6.333 8.512 1.00 73.30 C ATOM 468 CE1 TYR A 29 4.596 -4.496 7.481 1.00 42.45 C ATOM 469 CE2 TYR A 29 5.075 -6.320 8.957 1.00 12.41 C ATOM 470 CZ TYR A 29 4.189 -5.397 8.444 1.00 52.41 C ATOM 471 OH TYR A 29 2.899 -5.371 8.912 1.00 42.20 O ATOM 0 H TYR A 29 8.062 -2.587 7.836 1.00 4.12 H new ATOM 0 HA TYR A 29 9.604 -4.959 8.717 1.00 63.35 H new ATOM 0 HB2 TYR A 29 8.269 -5.103 6.021 1.00 1.22 H new ATOM 0 HB3 TYR A 29 8.666 -6.396 7.135 1.00 1.22 H new ATOM 0 HD1 TYR A 29 6.199 -3.817 6.271 1.00 33.04 H new ATOM 0 HD2 TYR A 29 7.073 -7.048 8.923 1.00 73.30 H new ATOM 0 HE1 TYR A 29 3.897 -3.775 7.084 1.00 42.45 H new ATOM 0 HE2 TYR A 29 4.749 -7.029 9.704 1.00 12.41 H new ATOM 0 HH TYR A 29 2.781 -6.073 9.585 1.00 42.20 H new ATOM 481 N GLU A 30 9.758 -3.257 5.822 1.00 72.01 N ATOM 482 CA GLU A 30 10.574 -3.029 4.609 1.00 33.35 C ATOM 483 C GLU A 30 11.098 -4.413 4.076 1.00 12.22 C ATOM 484 O GLU A 30 10.589 -5.438 4.520 1.00 45.02 O ATOM 485 CB GLU A 30 11.671 -1.951 4.896 1.00 71.44 C ATOM 486 CG GLU A 30 11.093 -0.537 5.067 1.00 62.22 C ATOM 487 CD GLU A 30 12.097 0.577 5.388 1.00 31.21 C ATOM 488 OE1 GLU A 30 13.265 0.496 4.966 1.00 4.43 O ATOM 489 OE2 GLU A 30 11.713 1.574 6.050 1.00 20.15 O ATOM 0 H GLU A 30 8.793 -2.944 5.721 1.00 72.01 H new ATOM 0 HA GLU A 30 9.983 -2.607 3.796 1.00 33.35 H new ATOM 0 HB2 GLU A 30 12.216 -2.226 5.799 1.00 71.44 H new ATOM 0 HB3 GLU A 30 12.391 -1.947 4.078 1.00 71.44 H new ATOM 0 HG2 GLU A 30 10.568 -0.270 4.150 1.00 62.22 H new ATOM 0 HG3 GLU A 30 10.349 -0.566 5.863 1.00 62.22 H new ATOM 496 N PRO A 31 12.034 -4.532 3.067 1.00 25.20 N ATOM 497 CA PRO A 31 12.725 -5.824 2.792 1.00 13.25 C ATOM 498 C PRO A 31 13.950 -6.047 3.720 1.00 12.42 C ATOM 499 O PRO A 31 14.942 -6.666 3.315 1.00 63.24 O ATOM 500 CB PRO A 31 13.122 -5.699 1.274 1.00 13.51 C ATOM 501 CG PRO A 31 12.527 -4.391 0.803 1.00 10.44 C ATOM 502 CD PRO A 31 12.409 -3.531 2.037 1.00 53.41 C ATOM 0 HA PRO A 31 12.099 -6.694 2.990 1.00 13.25 H new ATOM 0 HB2 PRO A 31 14.205 -5.704 1.151 1.00 13.51 H new ATOM 0 HB3 PRO A 31 12.732 -6.537 0.697 1.00 13.51 H new ATOM 0 HG2 PRO A 31 13.163 -3.918 0.055 1.00 10.44 H new ATOM 0 HG3 PRO A 31 11.553 -4.548 0.340 1.00 10.44 H new ATOM 0 HD2 PRO A 31 13.346 -3.028 2.277 1.00 53.41 H new ATOM 0 HD3 PRO A 31 11.651 -2.756 1.925 1.00 53.41 H new ATOM 510 N ASP A 32 13.855 -5.560 4.987 1.00 64.25 N ATOM 511 CA ASP A 32 14.933 -5.695 5.994 1.00 70.51 C ATOM 512 C ASP A 32 14.963 -7.110 6.625 1.00 42.41 C ATOM 513 O ASP A 32 15.637 -8.009 6.109 1.00 20.33 O ATOM 514 CB ASP A 32 14.818 -4.590 7.091 1.00 23.34 C ATOM 515 CG ASP A 32 15.186 -3.184 6.589 1.00 72.32 C ATOM 516 OD1 ASP A 32 16.309 -3.017 6.074 1.00 61.44 O ATOM 517 OD2 ASP A 32 14.394 -2.238 6.753 1.00 22.42 O ATOM 0 H ASP A 32 13.032 -5.066 5.333 1.00 64.25 H new ATOM 0 HA ASP A 32 15.880 -5.557 5.473 1.00 70.51 H new ATOM 0 HB2 ASP A 32 13.798 -4.575 7.474 1.00 23.34 H new ATOM 0 HB3 ASP A 32 15.468 -4.850 7.926 1.00 23.34 H new ATOM 522 N SER A 33 14.212 -7.316 7.727 1.00 42.00 N ATOM 523 CA SER A 33 14.242 -8.560 8.513 1.00 34.54 C ATOM 524 C SER A 33 12.849 -9.206 8.454 1.00 53.32 C ATOM 525 O SER A 33 12.083 -9.174 9.424 1.00 22.11 O ATOM 526 CB SER A 33 14.671 -8.222 9.967 1.00 70.50 C ATOM 527 OG SER A 33 15.872 -7.458 9.990 1.00 61.33 O ATOM 0 H SER A 33 13.566 -6.618 8.096 1.00 42.00 H new ATOM 0 HA SER A 33 14.963 -9.272 8.110 1.00 34.54 H new ATOM 0 HB2 SER A 33 13.875 -7.666 10.463 1.00 70.50 H new ATOM 0 HB3 SER A 33 14.814 -9.145 10.530 1.00 70.50 H new ATOM 0 HG SER A 33 16.116 -7.259 10.918 1.00 61.33 H new ATOM 533 N VAL A 34 12.513 -9.756 7.275 1.00 3.02 N ATOM 534 CA VAL A 34 11.159 -10.247 6.975 1.00 73.11 C ATOM 535 C VAL A 34 11.191 -11.211 5.761 1.00 32.13 C ATOM 536 O VAL A 34 12.153 -11.201 4.980 1.00 13.54 O ATOM 537 CB VAL A 34 10.204 -9.017 6.676 1.00 22.23 C ATOM 538 CG1 VAL A 34 10.528 -8.364 5.310 1.00 41.23 C ATOM 539 CG2 VAL A 34 8.711 -9.399 6.779 1.00 64.34 C ATOM 0 H VAL A 34 13.172 -9.872 6.505 1.00 3.02 H new ATOM 0 HA VAL A 34 10.779 -10.795 7.837 1.00 73.11 H new ATOM 0 HB VAL A 34 10.396 -8.274 7.450 1.00 22.23 H new ATOM 0 HG11 VAL A 34 9.854 -7.525 5.139 1.00 41.23 H new ATOM 0 HG12 VAL A 34 11.558 -8.007 5.312 1.00 41.23 H new ATOM 0 HG13 VAL A 34 10.401 -9.100 4.516 1.00 41.23 H new ATOM 0 HG21 VAL A 34 8.096 -8.525 6.566 1.00 64.34 H new ATOM 0 HG22 VAL A 34 8.486 -10.185 6.058 1.00 64.34 H new ATOM 0 HG23 VAL A 34 8.496 -9.757 7.786 1.00 64.34 H new ATOM 549 N LEU A 35 10.151 -12.049 5.628 1.00 3.42 N ATOM 550 CA LEU A 35 9.890 -12.830 4.409 1.00 63.43 C ATOM 551 C LEU A 35 8.822 -12.104 3.550 1.00 13.42 C ATOM 552 O LEU A 35 8.008 -11.344 4.086 1.00 23.42 O ATOM 553 CB LEU A 35 9.446 -14.280 4.777 1.00 43.23 C ATOM 554 CG LEU A 35 10.583 -15.218 5.300 1.00 34.31 C ATOM 555 CD1 LEU A 35 10.041 -16.629 5.594 1.00 41.31 C ATOM 556 CD2 LEU A 35 11.770 -15.270 4.309 1.00 30.21 C ATOM 0 H LEU A 35 9.465 -12.204 6.366 1.00 3.42 H new ATOM 0 HA LEU A 35 10.805 -12.910 3.822 1.00 63.43 H new ATOM 0 HB2 LEU A 35 8.668 -14.221 5.538 1.00 43.23 H new ATOM 0 HB3 LEU A 35 8.996 -14.739 3.896 1.00 43.23 H new ATOM 0 HG LEU A 35 10.955 -14.800 6.235 1.00 34.31 H new ATOM 0 HD11 LEU A 35 10.851 -17.262 5.956 1.00 41.31 H new ATOM 0 HD12 LEU A 35 9.261 -16.568 6.353 1.00 41.31 H new ATOM 0 HD13 LEU A 35 9.627 -17.057 4.681 1.00 41.31 H new ATOM 0 HD21 LEU A 35 12.543 -15.930 4.702 1.00 30.21 H new ATOM 0 HD22 LEU A 35 11.424 -15.648 3.347 1.00 30.21 H new ATOM 0 HD23 LEU A 35 12.180 -14.268 4.179 1.00 30.21 H new ATOM 568 N PRO A 36 8.818 -12.304 2.193 1.00 1.02 N ATOM 569 CA PRO A 36 7.791 -11.739 1.292 1.00 21.23 C ATOM 570 C PRO A 36 6.510 -12.620 1.253 1.00 64.45 C ATOM 571 O PRO A 36 5.985 -12.900 0.170 1.00 43.23 O ATOM 572 CB PRO A 36 8.530 -11.685 -0.093 1.00 45.45 C ATOM 573 CG PRO A 36 9.911 -12.259 0.145 1.00 33.54 C ATOM 574 CD PRO A 36 9.808 -13.076 1.408 1.00 73.11 C ATOM 0 HA PRO A 36 7.426 -10.762 1.610 1.00 21.23 H new ATOM 0 HB2 PRO A 36 7.992 -12.263 -0.845 1.00 45.45 H new ATOM 0 HB3 PRO A 36 8.592 -10.661 -0.462 1.00 45.45 H new ATOM 0 HG2 PRO A 36 10.227 -12.877 -0.695 1.00 33.54 H new ATOM 0 HG3 PRO A 36 10.650 -11.465 0.253 1.00 33.54 H new ATOM 0 HD2 PRO A 36 9.469 -14.093 1.210 1.00 73.11 H new ATOM 0 HD3 PRO A 36 10.766 -13.154 1.923 1.00 73.11 H new ATOM 582 N LEU A 37 6.008 -13.025 2.455 1.00 23.23 N ATOM 583 CA LEU A 37 4.809 -13.896 2.612 1.00 20.33 C ATOM 584 C LEU A 37 5.060 -15.295 2.002 1.00 41.35 C ATOM 585 O LEU A 37 6.217 -15.720 1.880 1.00 54.51 O ATOM 586 CB LEU A 37 3.538 -13.205 2.012 1.00 40.31 C ATOM 587 CG LEU A 37 3.105 -11.880 2.707 1.00 63.54 C ATOM 588 CD1 LEU A 37 1.903 -11.233 1.989 1.00 11.21 C ATOM 589 CD2 LEU A 37 2.813 -12.110 4.209 1.00 52.31 C ATOM 0 H LEU A 37 6.427 -12.754 3.345 1.00 23.23 H new ATOM 0 HA LEU A 37 4.622 -14.042 3.676 1.00 20.33 H new ATOM 0 HB2 LEU A 37 3.721 -12.999 0.958 1.00 40.31 H new ATOM 0 HB3 LEU A 37 2.707 -13.908 2.059 1.00 40.31 H new ATOM 0 HG LEU A 37 3.938 -11.180 2.636 1.00 63.54 H new ATOM 0 HD11 LEU A 37 1.627 -10.311 2.500 1.00 11.21 H new ATOM 0 HD12 LEU A 37 2.173 -11.009 0.957 1.00 11.21 H new ATOM 0 HD13 LEU A 37 1.058 -11.921 2.002 1.00 11.21 H new ATOM 0 HD21 LEU A 37 2.513 -11.169 4.670 1.00 52.31 H new ATOM 0 HD22 LEU A 37 2.010 -12.839 4.316 1.00 52.31 H new ATOM 0 HD23 LEU A 37 3.711 -12.485 4.701 1.00 52.31 H new ATOM 601 N ALA A 38 3.971 -16.025 1.700 1.00 3.44 N ATOM 602 CA ALA A 38 4.046 -17.259 0.910 1.00 2.20 C ATOM 603 C ALA A 38 4.369 -16.924 -0.564 1.00 64.31 C ATOM 604 O ALA A 38 4.142 -15.788 -1.014 1.00 73.00 O ATOM 605 CB ALA A 38 2.744 -18.064 1.041 1.00 2.32 C ATOM 0 H ALA A 38 3.026 -15.777 1.994 1.00 3.44 H new ATOM 0 HA ALA A 38 4.852 -17.883 1.296 1.00 2.20 H new ATOM 0 HB1 ALA A 38 2.819 -18.976 0.448 1.00 2.32 H new ATOM 0 HB2 ALA A 38 2.580 -18.324 2.087 1.00 2.32 H new ATOM 0 HB3 ALA A 38 1.908 -17.465 0.681 1.00 2.32 H new ATOM 611 N ASP A 39 4.892 -17.923 -1.283 1.00 11.03 N ATOM 612 CA ASP A 39 5.426 -17.767 -2.656 1.00 72.04 C ATOM 613 C ASP A 39 4.356 -17.348 -3.691 1.00 51.33 C ATOM 614 O ASP A 39 3.152 -17.609 -3.525 1.00 63.33 O ATOM 615 CB ASP A 39 6.078 -19.092 -3.123 1.00 2.53 C ATOM 616 CG ASP A 39 7.331 -19.491 -2.319 1.00 72.34 C ATOM 617 OD1 ASP A 39 7.190 -19.860 -1.133 1.00 22.13 O ATOM 618 OD2 ASP A 39 8.454 -19.469 -2.877 1.00 42.25 O ATOM 0 H ASP A 39 4.961 -18.878 -0.931 1.00 11.03 H new ATOM 0 HA ASP A 39 6.161 -16.964 -2.605 1.00 72.04 H new ATOM 0 HB2 ASP A 39 5.342 -19.893 -3.050 1.00 2.53 H new ATOM 0 HB3 ASP A 39 6.348 -19.001 -4.175 1.00 2.53 H new ATOM 623 N GLY A 40 4.835 -16.699 -4.761 1.00 41.33 N ATOM 624 CA GLY A 40 4.022 -16.405 -5.941 1.00 11.22 C ATOM 625 C GLY A 40 3.309 -15.055 -5.860 1.00 23.02 C ATOM 626 O GLY A 40 3.965 -14.002 -5.772 1.00 41.35 O ATOM 0 H GLY A 40 5.796 -16.365 -4.829 1.00 41.33 H new ATOM 0 HA2 GLY A 40 4.659 -16.420 -6.826 1.00 11.22 H new ATOM 0 HA3 GLY A 40 3.280 -17.193 -6.069 1.00 11.22 H new ATOM 630 N VAL A 41 1.964 -15.102 -5.857 1.00 40.54 N ATOM 631 CA VAL A 41 1.083 -13.912 -5.912 1.00 63.43 C ATOM 632 C VAL A 41 1.235 -13.060 -4.637 1.00 22.35 C ATOM 633 O VAL A 41 1.280 -11.839 -4.705 1.00 53.25 O ATOM 634 CB VAL A 41 -0.446 -14.328 -6.103 1.00 61.25 C ATOM 635 CG1 VAL A 41 -1.374 -13.106 -6.212 1.00 74.51 C ATOM 636 CG2 VAL A 41 -0.601 -15.277 -7.294 1.00 73.41 C ATOM 0 H VAL A 41 1.447 -15.980 -5.816 1.00 40.54 H new ATOM 0 HA VAL A 41 1.390 -13.320 -6.775 1.00 63.43 H new ATOM 0 HB VAL A 41 -0.758 -14.863 -5.206 1.00 61.25 H new ATOM 0 HG11 VAL A 41 -2.403 -13.441 -6.341 1.00 74.51 H new ATOM 0 HG12 VAL A 41 -1.298 -12.509 -5.303 1.00 74.51 H new ATOM 0 HG13 VAL A 41 -1.079 -12.501 -7.069 1.00 74.51 H new ATOM 0 HG21 VAL A 41 -1.650 -15.549 -7.408 1.00 73.41 H new ATOM 0 HG22 VAL A 41 -0.254 -14.782 -8.201 1.00 73.41 H new ATOM 0 HG23 VAL A 41 -0.009 -16.176 -7.122 1.00 73.41 H new ATOM 646 N LEU A 42 1.340 -13.735 -3.473 1.00 72.50 N ATOM 647 CA LEU A 42 1.492 -13.060 -2.161 1.00 12.42 C ATOM 648 C LEU A 42 2.879 -12.377 -2.032 1.00 14.11 C ATOM 649 O LEU A 42 3.031 -11.376 -1.318 1.00 14.41 O ATOM 650 CB LEU A 42 1.260 -14.091 -1.033 1.00 41.51 C ATOM 651 CG LEU A 42 -0.130 -14.806 -1.043 1.00 45.23 C ATOM 652 CD1 LEU A 42 -0.156 -15.962 -0.025 1.00 11.51 C ATOM 653 CD2 LEU A 42 -1.288 -13.801 -0.814 1.00 50.31 C ATOM 0 H LEU A 42 1.322 -14.753 -3.413 1.00 72.50 H new ATOM 0 HA LEU A 42 0.747 -12.268 -2.078 1.00 12.42 H new ATOM 0 HB2 LEU A 42 2.039 -14.851 -1.095 1.00 41.51 H new ATOM 0 HB3 LEU A 42 1.382 -13.587 -0.074 1.00 41.51 H new ATOM 0 HG LEU A 42 -0.282 -15.237 -2.032 1.00 45.23 H new ATOM 0 HD11 LEU A 42 -1.133 -16.446 -0.049 1.00 11.51 H new ATOM 0 HD12 LEU A 42 0.615 -16.689 -0.280 1.00 11.51 H new ATOM 0 HD13 LEU A 42 0.031 -15.571 0.975 1.00 11.51 H new ATOM 0 HD21 LEU A 42 -2.239 -14.333 -0.827 1.00 50.31 H new ATOM 0 HD22 LEU A 42 -1.159 -13.311 0.151 1.00 50.31 H new ATOM 0 HD23 LEU A 42 -1.281 -13.051 -1.605 1.00 50.31 H new ATOM 665 N SER A 43 3.881 -12.930 -2.735 1.00 31.33 N ATOM 666 CA SER A 43 5.212 -12.313 -2.849 1.00 20.03 C ATOM 667 C SER A 43 5.142 -11.022 -3.688 1.00 40.02 C ATOM 668 O SER A 43 5.753 -10.010 -3.337 1.00 5.43 O ATOM 669 CB SER A 43 6.202 -13.316 -3.474 1.00 3.34 C ATOM 670 OG SER A 43 6.222 -14.543 -2.758 1.00 74.52 O ATOM 0 H SER A 43 3.792 -13.813 -3.238 1.00 31.33 H new ATOM 0 HA SER A 43 5.564 -12.048 -1.852 1.00 20.03 H new ATOM 0 HB2 SER A 43 5.925 -13.503 -4.511 1.00 3.34 H new ATOM 0 HB3 SER A 43 7.202 -12.883 -3.484 1.00 3.34 H new ATOM 0 HG SER A 43 5.409 -14.619 -2.216 1.00 74.52 H new ATOM 676 N PHE A 44 4.370 -11.092 -4.800 1.00 4.53 N ATOM 677 CA PHE A 44 4.090 -9.939 -5.679 1.00 13.25 C ATOM 678 C PHE A 44 3.331 -8.849 -4.906 1.00 34.55 C ATOM 679 O PHE A 44 3.621 -7.673 -5.067 1.00 2.54 O ATOM 680 CB PHE A 44 3.296 -10.415 -6.930 1.00 42.34 C ATOM 681 CG PHE A 44 2.757 -9.319 -7.859 1.00 2.12 C ATOM 682 CD1 PHE A 44 3.596 -8.334 -8.398 1.00 50.12 C ATOM 683 CD2 PHE A 44 1.404 -9.288 -8.215 1.00 52.11 C ATOM 684 CE1 PHE A 44 3.094 -7.363 -9.252 1.00 34.13 C ATOM 685 CE2 PHE A 44 0.910 -8.318 -9.064 1.00 3.52 C ATOM 686 CZ PHE A 44 1.749 -7.356 -9.582 1.00 14.40 C ATOM 0 H PHE A 44 3.924 -11.955 -5.110 1.00 4.53 H new ATOM 0 HA PHE A 44 5.030 -9.504 -6.019 1.00 13.25 H new ATOM 0 HB2 PHE A 44 3.942 -11.070 -7.515 1.00 42.34 H new ATOM 0 HB3 PHE A 44 2.454 -11.018 -6.590 1.00 42.34 H new ATOM 0 HD1 PHE A 44 4.646 -8.331 -8.145 1.00 50.12 H new ATOM 0 HD2 PHE A 44 0.734 -10.037 -7.818 1.00 52.11 H new ATOM 0 HE1 PHE A 44 3.753 -6.611 -9.660 1.00 34.13 H new ATOM 0 HE2 PHE A 44 -0.138 -8.313 -9.323 1.00 3.52 H new ATOM 0 HZ PHE A 44 1.359 -6.598 -10.244 1.00 14.40 H new ATOM 696 N ILE A 45 2.393 -9.263 -4.039 1.00 2.21 N ATOM 697 CA ILE A 45 1.584 -8.337 -3.217 1.00 33.41 C ATOM 698 C ILE A 45 2.474 -7.620 -2.176 1.00 44.24 C ATOM 699 O ILE A 45 2.429 -6.405 -2.070 1.00 64.40 O ATOM 700 CB ILE A 45 0.409 -9.096 -2.491 1.00 11.15 C ATOM 701 CG1 ILE A 45 -0.599 -9.701 -3.522 1.00 35.42 C ATOM 702 CG2 ILE A 45 -0.316 -8.170 -1.493 1.00 21.44 C ATOM 703 CD1 ILE A 45 -1.655 -10.635 -2.932 1.00 61.04 C ATOM 0 H ILE A 45 2.171 -10.247 -3.885 1.00 2.21 H new ATOM 0 HA ILE A 45 1.149 -7.594 -3.885 1.00 33.41 H new ATOM 0 HB ILE A 45 0.847 -9.921 -1.930 1.00 11.15 H new ATOM 0 HG12 ILE A 45 -1.106 -8.882 -4.033 1.00 35.42 H new ATOM 0 HG13 ILE A 45 -0.036 -10.248 -4.278 1.00 35.42 H new ATOM 0 HG21 ILE A 45 -1.122 -8.719 -1.006 1.00 21.44 H new ATOM 0 HG22 ILE A 45 0.391 -7.821 -0.741 1.00 21.44 H new ATOM 0 HG23 ILE A 45 -0.730 -7.314 -2.026 1.00 21.44 H new ATOM 0 HD11 ILE A 45 -2.303 -11.000 -3.728 1.00 61.04 H new ATOM 0 HD12 ILE A 45 -1.164 -11.479 -2.448 1.00 61.04 H new ATOM 0 HD13 ILE A 45 -2.252 -10.093 -2.198 1.00 61.04 H new ATOM 715 N HIS A 46 3.309 -8.400 -1.446 1.00 23.33 N ATOM 716 CA HIS A 46 4.245 -7.866 -0.412 1.00 30.14 C ATOM 717 C HIS A 46 5.245 -6.884 -1.058 1.00 23.44 C ATOM 718 O HIS A 46 5.612 -5.841 -0.471 1.00 1.05 O ATOM 719 CB HIS A 46 5.013 -9.037 0.260 1.00 23.45 C ATOM 720 CG HIS A 46 5.841 -8.656 1.469 1.00 13.42 C ATOM 721 ND1 HIS A 46 7.109 -8.113 1.385 1.00 61.22 N ATOM 722 CD2 HIS A 46 5.581 -8.780 2.796 1.00 51.33 C ATOM 723 CE1 HIS A 46 7.590 -7.928 2.603 1.00 44.04 C ATOM 724 NE2 HIS A 46 6.683 -8.327 3.479 1.00 54.34 N ATOM 0 H HIS A 46 3.357 -9.413 -1.553 1.00 23.33 H new ATOM 0 HA HIS A 46 3.669 -7.335 0.346 1.00 30.14 H new ATOM 0 HB2 HIS A 46 4.293 -9.799 0.558 1.00 23.45 H new ATOM 0 HB3 HIS A 46 5.670 -9.492 -0.481 1.00 23.45 H new ATOM 0 HD2 HIS A 46 4.672 -9.165 3.235 1.00 51.33 H new ATOM 0 HE1 HIS A 46 8.561 -7.520 2.842 1.00 44.04 H new ATOM 0 HE2 HIS A 46 6.785 -8.302 4.494 1.00 54.34 H new ATOM 733 N HIS A 47 5.668 -7.268 -2.286 1.00 41.30 N ATOM 734 CA HIS A 47 6.476 -6.438 -3.189 1.00 23.04 C ATOM 735 C HIS A 47 5.780 -5.088 -3.400 1.00 32.43 C ATOM 736 O HIS A 47 6.343 -4.070 -3.071 1.00 31.25 O ATOM 737 CB HIS A 47 6.691 -7.172 -4.541 1.00 12.34 C ATOM 738 CG HIS A 47 7.371 -6.393 -5.634 1.00 14.45 C ATOM 739 ND1 HIS A 47 6.683 -5.776 -6.652 1.00 53.55 N ATOM 740 CD2 HIS A 47 8.683 -6.167 -5.886 1.00 32.14 C ATOM 741 CE1 HIS A 47 7.537 -5.237 -7.492 1.00 55.01 C ATOM 742 NE2 HIS A 47 8.757 -5.453 -7.051 1.00 24.44 N ATOM 0 H HIS A 47 5.448 -8.184 -2.677 1.00 41.30 H new ATOM 0 HA HIS A 47 7.455 -6.260 -2.744 1.00 23.04 H new ATOM 0 HB2 HIS A 47 7.276 -8.072 -4.350 1.00 12.34 H new ATOM 0 HB3 HIS A 47 5.718 -7.497 -4.910 1.00 12.34 H new ATOM 0 HD1 HIS A 47 5.667 -5.742 -6.741 1.00 53.55 H new ATOM 0 HD2 HIS A 47 9.516 -6.490 -5.280 1.00 32.14 H new ATOM 0 HE1 HIS A 47 7.280 -4.704 -8.396 1.00 55.01 H new ATOM 751 N GLN A 48 4.523 -5.127 -3.878 1.00 53.45 N ATOM 752 CA GLN A 48 3.725 -3.912 -4.144 1.00 74.41 C ATOM 753 C GLN A 48 3.454 -3.098 -2.861 1.00 32.34 C ATOM 754 O GLN A 48 3.375 -1.880 -2.925 1.00 74.43 O ATOM 755 CB GLN A 48 2.373 -4.266 -4.798 1.00 33.22 C ATOM 756 CG GLN A 48 2.454 -5.055 -6.113 1.00 55.40 C ATOM 757 CD GLN A 48 3.127 -4.309 -7.254 1.00 42.40 C ATOM 758 OE1 GLN A 48 4.340 -4.372 -7.433 1.00 21.44 O ATOM 759 NE2 GLN A 48 2.331 -3.639 -8.060 1.00 50.50 N ATOM 0 H GLN A 48 4.032 -5.996 -4.090 1.00 53.45 H new ATOM 0 HA GLN A 48 4.319 -3.304 -4.826 1.00 74.41 H new ATOM 0 HB2 GLN A 48 1.786 -4.844 -4.085 1.00 33.22 H new ATOM 0 HB3 GLN A 48 1.827 -3.341 -4.984 1.00 33.22 H new ATOM 0 HG2 GLN A 48 2.996 -5.983 -5.933 1.00 55.40 H new ATOM 0 HG3 GLN A 48 1.445 -5.330 -6.420 1.00 55.40 H new ATOM 0 HE21 GLN A 48 1.328 -3.610 -7.878 1.00 50.50 H new ATOM 0 HE22 GLN A 48 2.717 -3.149 -8.867 1.00 50.50 H new ATOM 768 N ILE A 49 3.301 -3.783 -1.707 1.00 23.30 N ATOM 769 CA ILE A 49 3.047 -3.124 -0.411 1.00 73.24 C ATOM 770 C ILE A 49 4.235 -2.208 -0.091 1.00 13.11 C ATOM 771 O ILE A 49 4.084 -0.986 -0.113 1.00 4.23 O ATOM 772 CB ILE A 49 2.795 -4.178 0.762 1.00 41.22 C ATOM 773 CG1 ILE A 49 1.436 -4.943 0.567 1.00 33.24 C ATOM 774 CG2 ILE A 49 2.878 -3.529 2.175 1.00 73.11 C ATOM 775 CD1 ILE A 49 1.177 -6.083 1.559 1.00 70.44 C ATOM 0 H ILE A 49 3.350 -4.800 -1.649 1.00 23.30 H new ATOM 0 HA ILE A 49 2.133 -2.534 -0.486 1.00 73.24 H new ATOM 0 HB ILE A 49 3.603 -4.907 0.702 1.00 41.22 H new ATOM 0 HG12 ILE A 49 0.620 -4.225 0.643 1.00 33.24 H new ATOM 0 HG13 ILE A 49 1.409 -5.350 -0.444 1.00 33.24 H new ATOM 0 HG21 ILE A 49 2.699 -4.289 2.936 1.00 73.11 H new ATOM 0 HG22 ILE A 49 3.868 -3.097 2.319 1.00 73.11 H new ATOM 0 HG23 ILE A 49 2.125 -2.746 2.261 1.00 73.11 H new ATOM 0 HD11 ILE A 49 0.215 -6.545 1.339 1.00 70.44 H new ATOM 0 HD12 ILE A 49 1.967 -6.829 1.470 1.00 70.44 H new ATOM 0 HD13 ILE A 49 1.165 -5.686 2.574 1.00 70.44 H new ATOM 787 N ILE A 50 5.429 -2.807 0.084 1.00 12.21 N ATOM 788 CA ILE A 50 6.625 -2.047 0.494 1.00 54.32 C ATOM 789 C ILE A 50 7.114 -1.100 -0.630 1.00 11.10 C ATOM 790 O ILE A 50 7.381 0.089 -0.380 1.00 34.33 O ATOM 791 CB ILE A 50 7.780 -2.996 0.947 1.00 21.04 C ATOM 792 CG1 ILE A 50 7.315 -3.920 2.123 1.00 42.51 C ATOM 793 CG2 ILE A 50 9.044 -2.205 1.335 1.00 74.14 C ATOM 794 CD1 ILE A 50 6.843 -3.200 3.396 1.00 43.12 C ATOM 0 H ILE A 50 5.590 -3.805 -0.051 1.00 12.21 H new ATOM 0 HA ILE A 50 6.333 -1.435 1.348 1.00 54.32 H new ATOM 0 HB ILE A 50 8.037 -3.629 0.098 1.00 21.04 H new ATOM 0 HG12 ILE A 50 6.503 -4.552 1.764 1.00 42.51 H new ATOM 0 HG13 ILE A 50 8.140 -4.582 2.388 1.00 42.51 H new ATOM 0 HG21 ILE A 50 9.826 -2.898 1.645 1.00 74.14 H new ATOM 0 HG22 ILE A 50 9.389 -1.628 0.477 1.00 74.14 H new ATOM 0 HG23 ILE A 50 8.812 -1.529 2.158 1.00 74.14 H new ATOM 0 HD11 ILE A 50 6.545 -3.937 4.142 1.00 43.12 H new ATOM 0 HD12 ILE A 50 7.656 -2.591 3.792 1.00 43.12 H new ATOM 0 HD13 ILE A 50 5.993 -2.561 3.158 1.00 43.12 H new ATOM 806 N GLU A 51 7.208 -1.634 -1.854 1.00 42.12 N ATOM 807 CA GLU A 51 7.653 -0.874 -3.026 1.00 14.45 C ATOM 808 C GLU A 51 6.765 0.338 -3.254 1.00 34.02 C ATOM 809 O GLU A 51 7.257 1.446 -3.176 1.00 14.54 O ATOM 810 CB GLU A 51 7.668 -1.738 -4.292 1.00 55.13 C ATOM 811 CG GLU A 51 7.979 -0.961 -5.581 1.00 62.14 C ATOM 812 CD GLU A 51 7.744 -1.796 -6.842 1.00 21.51 C ATOM 813 OE1 GLU A 51 6.564 -2.011 -7.196 1.00 71.43 O ATOM 814 OE2 GLU A 51 8.729 -2.235 -7.472 1.00 62.13 O ATOM 0 H GLU A 51 6.977 -2.606 -2.059 1.00 42.12 H new ATOM 0 HA GLU A 51 8.671 -0.544 -2.821 1.00 14.45 H new ATOM 0 HB2 GLU A 51 8.408 -2.529 -4.170 1.00 55.13 H new ATOM 0 HB3 GLU A 51 6.698 -2.223 -4.399 1.00 55.13 H new ATOM 0 HG2 GLU A 51 7.357 -0.067 -5.621 1.00 62.14 H new ATOM 0 HG3 GLU A 51 9.016 -0.627 -5.559 1.00 62.14 H new ATOM 821 N LEU A 52 5.451 0.113 -3.506 1.00 31.52 N ATOM 822 CA LEU A 52 4.524 1.207 -3.867 1.00 44.40 C ATOM 823 C LEU A 52 4.249 2.129 -2.676 1.00 72.52 C ATOM 824 O LEU A 52 3.852 3.277 -2.882 1.00 72.30 O ATOM 825 CB LEU A 52 3.206 0.677 -4.494 1.00 51.34 C ATOM 826 CG LEU A 52 3.369 -0.157 -5.808 1.00 31.43 C ATOM 827 CD1 LEU A 52 2.004 -0.671 -6.316 1.00 2.20 C ATOM 828 CD2 LEU A 52 4.116 0.660 -6.890 1.00 12.40 C ATOM 0 H LEU A 52 5.016 -0.809 -3.466 1.00 31.52 H new ATOM 0 HA LEU A 52 5.022 1.801 -4.634 1.00 44.40 H new ATOM 0 HB2 LEU A 52 2.695 0.060 -3.755 1.00 51.34 H new ATOM 0 HB3 LEU A 52 2.557 1.527 -4.703 1.00 51.34 H new ATOM 0 HG LEU A 52 3.977 -1.033 -5.582 1.00 31.43 H new ATOM 0 HD11 LEU A 52 2.149 -1.247 -7.230 1.00 2.20 H new ATOM 0 HD12 LEU A 52 1.548 -1.306 -5.556 1.00 2.20 H new ATOM 0 HD13 LEU A 52 1.350 0.176 -6.521 1.00 2.20 H new ATOM 0 HD21 LEU A 52 4.217 0.060 -7.794 1.00 12.40 H new ATOM 0 HD22 LEU A 52 3.552 1.565 -7.117 1.00 12.40 H new ATOM 0 HD23 LEU A 52 5.105 0.932 -6.522 1.00 12.40 H new ATOM 840 N ALA A 53 4.463 1.633 -1.430 1.00 63.40 N ATOM 841 CA ALA A 53 4.496 2.517 -0.252 1.00 4.02 C ATOM 842 C ALA A 53 5.616 3.563 -0.425 1.00 54.21 C ATOM 843 O ALA A 53 5.339 4.756 -0.500 1.00 72.54 O ATOM 844 CB ALA A 53 4.698 1.722 1.059 1.00 20.44 C ATOM 0 H ALA A 53 4.612 0.645 -1.224 1.00 63.40 H new ATOM 0 HA ALA A 53 3.532 3.021 -0.178 1.00 4.02 H new ATOM 0 HB1 ALA A 53 4.717 2.411 1.903 1.00 20.44 H new ATOM 0 HB2 ALA A 53 3.878 1.015 1.186 1.00 20.44 H new ATOM 0 HB3 ALA A 53 5.642 1.179 1.013 1.00 20.44 H new ATOM 850 N ARG A 54 6.874 3.096 -0.554 1.00 61.11 N ATOM 851 CA ARG A 54 8.060 3.992 -0.661 1.00 12.45 C ATOM 852 C ARG A 54 8.060 4.800 -1.972 1.00 2.42 C ATOM 853 O ARG A 54 8.558 5.930 -2.029 1.00 14.10 O ATOM 854 CB ARG A 54 9.349 3.158 -0.577 1.00 30.52 C ATOM 855 CG ARG A 54 9.507 2.383 0.740 1.00 11.15 C ATOM 856 CD ARG A 54 10.633 1.351 0.670 1.00 71.11 C ATOM 857 NE ARG A 54 10.438 0.453 -0.481 1.00 20.01 N ATOM 858 CZ ARG A 54 11.391 -0.279 -1.060 1.00 40.03 C ATOM 859 NH1 ARG A 54 12.638 -0.259 -0.602 1.00 55.14 N ATOM 860 NH2 ARG A 54 11.095 -0.997 -2.130 1.00 5.45 N ATOM 0 H ARG A 54 7.103 2.103 -0.587 1.00 61.11 H new ATOM 0 HA ARG A 54 8.011 4.699 0.167 1.00 12.45 H new ATOM 0 HB2 ARG A 54 9.367 2.451 -1.407 1.00 30.52 H new ATOM 0 HB3 ARG A 54 10.206 3.819 -0.703 1.00 30.52 H new ATOM 0 HG2 ARG A 54 9.708 3.084 1.550 1.00 11.15 H new ATOM 0 HG3 ARG A 54 8.570 1.880 0.979 1.00 11.15 H new ATOM 0 HD2 ARG A 54 11.594 1.858 0.585 1.00 71.11 H new ATOM 0 HD3 ARG A 54 10.660 0.770 1.592 1.00 71.11 H new ATOM 0 HE ARG A 54 9.496 0.385 -0.867 1.00 20.01 H new ATOM 0 HH11 ARG A 54 12.877 0.321 0.202 1.00 55.14 H new ATOM 0 HH12 ARG A 54 13.357 -0.824 -1.055 1.00 55.14 H new ATOM 0 HH21 ARG A 54 10.146 -0.987 -2.504 1.00 5.45 H new ATOM 0 HH22 ARG A 54 11.815 -1.561 -2.581 1.00 5.45 H new ATOM 874 N ASP A 55 7.483 4.187 -3.003 1.00 40.32 N ATOM 875 CA ASP A 55 7.335 4.759 -4.342 1.00 3.52 C ATOM 876 C ASP A 55 6.446 5.999 -4.261 1.00 1.33 C ATOM 877 O ASP A 55 6.897 7.107 -4.539 1.00 54.33 O ATOM 878 CB ASP A 55 6.728 3.678 -5.280 1.00 52.44 C ATOM 879 CG ASP A 55 6.485 4.140 -6.723 1.00 33.24 C ATOM 880 OD1 ASP A 55 7.421 4.070 -7.549 1.00 42.25 O ATOM 881 OD2 ASP A 55 5.348 4.556 -7.042 1.00 24.42 O ATOM 0 H ASP A 55 7.092 3.248 -2.928 1.00 40.32 H new ATOM 0 HA ASP A 55 8.301 5.063 -4.746 1.00 3.52 H new ATOM 0 HB2 ASP A 55 7.395 2.816 -5.297 1.00 52.44 H new ATOM 0 HB3 ASP A 55 5.782 3.340 -4.857 1.00 52.44 H new ATOM 886 N CYS A 56 5.204 5.797 -3.792 1.00 24.23 N ATOM 887 CA CYS A 56 4.217 6.872 -3.640 1.00 21.23 C ATOM 888 C CYS A 56 4.643 7.893 -2.556 1.00 21.34 C ATOM 889 O CYS A 56 4.307 9.072 -2.656 1.00 34.41 O ATOM 890 CB CYS A 56 2.840 6.267 -3.329 1.00 41.11 C ATOM 891 SG CYS A 56 2.224 5.188 -4.645 1.00 35.12 S ATOM 0 H CYS A 56 4.858 4.881 -3.508 1.00 24.23 H new ATOM 0 HA CYS A 56 4.157 7.422 -4.579 1.00 21.23 H new ATOM 0 HB2 CYS A 56 2.901 5.699 -2.401 1.00 41.11 H new ATOM 0 HB3 CYS A 56 2.125 7.073 -3.164 1.00 41.11 H new ATOM 0 HG CYS A 56 2.648 3.975 -4.446 1.00 35.12 H new ATOM 897 N LEU A 57 5.415 7.431 -1.543 1.00 42.22 N ATOM 898 CA LEU A 57 5.964 8.303 -0.477 1.00 33.42 C ATOM 899 C LEU A 57 6.903 9.361 -1.088 1.00 73.03 C ATOM 900 O LEU A 57 6.705 10.573 -0.908 1.00 31.25 O ATOM 901 CB LEU A 57 6.752 7.451 0.557 1.00 52.13 C ATOM 902 CG LEU A 57 7.358 8.217 1.774 1.00 64.44 C ATOM 903 CD1 LEU A 57 6.260 8.859 2.641 1.00 13.33 C ATOM 904 CD2 LEU A 57 8.288 7.304 2.614 1.00 12.31 C ATOM 0 H LEU A 57 5.673 6.449 -1.442 1.00 42.22 H new ATOM 0 HA LEU A 57 5.135 8.803 0.024 1.00 33.42 H new ATOM 0 HB2 LEU A 57 6.087 6.677 0.939 1.00 52.13 H new ATOM 0 HB3 LEU A 57 7.564 6.945 0.034 1.00 52.13 H new ATOM 0 HG LEU A 57 7.971 9.026 1.377 1.00 64.44 H new ATOM 0 HD11 LEU A 57 6.719 9.384 3.479 1.00 13.33 H new ATOM 0 HD12 LEU A 57 5.688 9.566 2.039 1.00 13.33 H new ATOM 0 HD13 LEU A 57 5.595 8.083 3.019 1.00 13.33 H new ATOM 0 HD21 LEU A 57 8.692 7.870 3.453 1.00 12.31 H new ATOM 0 HD22 LEU A 57 7.720 6.453 2.990 1.00 12.31 H new ATOM 0 HD23 LEU A 57 9.107 6.946 1.990 1.00 12.31 H new ATOM 916 N THR A 58 7.918 8.856 -1.826 1.00 32.53 N ATOM 917 CA THR A 58 8.918 9.680 -2.520 1.00 11.04 C ATOM 918 C THR A 58 8.244 10.564 -3.588 1.00 33.15 C ATOM 919 O THR A 58 8.605 11.720 -3.739 1.00 23.34 O ATOM 920 CB THR A 58 10.037 8.784 -3.173 1.00 45.12 C ATOM 921 OG1 THR A 58 10.660 7.980 -2.157 1.00 50.51 O ATOM 922 CG2 THR A 58 11.120 9.613 -3.912 1.00 12.04 C ATOM 0 H THR A 58 8.062 7.854 -1.954 1.00 32.53 H new ATOM 0 HA THR A 58 9.392 10.327 -1.781 1.00 11.04 H new ATOM 0 HB THR A 58 9.550 8.155 -3.918 1.00 45.12 H new ATOM 0 HG1 THR A 58 10.084 7.216 -1.946 1.00 50.51 H new ATOM 0 HG21 THR A 58 11.863 8.941 -4.341 1.00 12.04 H new ATOM 0 HG22 THR A 58 10.654 10.193 -4.708 1.00 12.04 H new ATOM 0 HG23 THR A 58 11.605 10.288 -3.207 1.00 12.04 H new ATOM 930 N LYS A 59 7.225 10.005 -4.275 1.00 14.50 N ATOM 931 CA LYS A 59 6.485 10.697 -5.356 1.00 71.20 C ATOM 932 C LYS A 59 5.503 11.770 -4.818 1.00 72.24 C ATOM 933 O LYS A 59 5.167 12.707 -5.539 1.00 62.25 O ATOM 934 CB LYS A 59 5.750 9.655 -6.256 1.00 54.23 C ATOM 935 CG LYS A 59 6.697 8.858 -7.183 1.00 20.15 C ATOM 936 CD LYS A 59 5.988 7.771 -8.023 1.00 22.31 C ATOM 937 CE LYS A 59 6.949 7.083 -9.012 1.00 35.30 C ATOM 938 NZ LYS A 59 6.327 5.907 -9.680 1.00 22.30 N ATOM 0 H LYS A 59 6.890 9.058 -4.096 1.00 14.50 H new ATOM 0 HA LYS A 59 7.217 11.233 -5.961 1.00 71.20 H new ATOM 0 HB2 LYS A 59 5.207 8.957 -5.619 1.00 54.23 H new ATOM 0 HB3 LYS A 59 5.010 10.173 -6.866 1.00 54.23 H new ATOM 0 HG2 LYS A 59 7.199 9.553 -7.856 1.00 20.15 H new ATOM 0 HG3 LYS A 59 7.470 8.387 -6.577 1.00 20.15 H new ATOM 0 HD2 LYS A 59 5.557 7.023 -7.357 1.00 22.31 H new ATOM 0 HD3 LYS A 59 5.162 8.221 -8.574 1.00 22.31 H new ATOM 0 HE2 LYS A 59 7.265 7.802 -9.768 1.00 35.30 H new ATOM 0 HE3 LYS A 59 7.846 6.764 -8.481 1.00 35.30 H new ATOM 0 HZ1 LYS A 59 6.735 5.032 -9.293 1.00 22.30 H new ATOM 0 HZ2 LYS A 59 5.301 5.914 -9.511 1.00 22.30 H new ATOM 0 HZ3 LYS A 59 6.510 5.952 -10.703 1.00 22.30 H new ATOM 952 N SER A 60 5.040 11.630 -3.561 1.00 15.51 N ATOM 953 CA SER A 60 4.232 12.684 -2.883 1.00 60.30 C ATOM 954 C SER A 60 5.145 13.844 -2.446 1.00 44.51 C ATOM 955 O SER A 60 4.815 15.022 -2.649 1.00 30.14 O ATOM 956 CB SER A 60 3.480 12.113 -1.658 1.00 75.33 C ATOM 957 OG SER A 60 2.441 11.239 -2.048 1.00 53.30 O ATOM 0 H SER A 60 5.207 10.802 -2.988 1.00 15.51 H new ATOM 0 HA SER A 60 3.491 13.052 -3.593 1.00 60.30 H new ATOM 0 HB2 SER A 60 4.181 11.582 -1.015 1.00 75.33 H new ATOM 0 HB3 SER A 60 3.066 12.932 -1.070 1.00 75.33 H new ATOM 0 HG SER A 60 2.814 10.354 -2.244 1.00 53.30 H new ATOM 963 N ARG A 61 6.302 13.480 -1.856 1.00 23.51 N ATOM 964 CA ARG A 61 7.352 14.438 -1.438 1.00 0.54 C ATOM 965 C ARG A 61 7.980 15.139 -2.675 1.00 25.30 C ATOM 966 O ARG A 61 8.423 16.293 -2.603 1.00 13.42 O ATOM 967 CB ARG A 61 8.443 13.696 -0.599 1.00 24.30 C ATOM 968 CG ARG A 61 9.639 14.573 -0.149 1.00 53.24 C ATOM 969 CD ARG A 61 10.707 13.799 0.654 1.00 5.12 C ATOM 970 NE ARG A 61 10.276 13.452 2.029 1.00 32.51 N ATOM 971 CZ ARG A 61 11.013 12.751 2.918 1.00 31.15 C ATOM 972 NH1 ARG A 61 12.227 12.281 2.593 1.00 2.44 N ATOM 973 NH2 ARG A 61 10.543 12.561 4.150 1.00 34.12 N ATOM 0 H ARG A 61 6.538 12.508 -1.654 1.00 23.51 H new ATOM 0 HA ARG A 61 6.900 15.209 -0.815 1.00 0.54 H new ATOM 0 HB2 ARG A 61 7.971 13.271 0.287 1.00 24.30 H new ATOM 0 HB3 ARG A 61 8.826 12.862 -1.187 1.00 24.30 H new ATOM 0 HG2 ARG A 61 10.107 15.013 -1.029 1.00 53.24 H new ATOM 0 HG3 ARG A 61 9.266 15.397 0.459 1.00 53.24 H new ATOM 0 HD2 ARG A 61 10.960 12.884 0.119 1.00 5.12 H new ATOM 0 HD3 ARG A 61 11.616 14.399 0.707 1.00 5.12 H new ATOM 0 HE ARG A 61 9.352 13.766 2.327 1.00 32.51 H new ATOM 0 HH11 ARG A 61 12.607 12.451 1.662 1.00 2.44 H new ATOM 0 HH12 ARG A 61 12.770 11.754 3.277 1.00 2.44 H new ATOM 0 HH21 ARG A 61 9.635 12.943 4.414 1.00 34.12 H new ATOM 0 HH22 ARG A 61 11.091 12.033 4.829 1.00 34.12 H new ATOM 987 N ASP A 62 7.990 14.412 -3.813 1.00 53.42 N ATOM 988 CA ASP A 62 8.509 14.895 -5.118 1.00 35.33 C ATOM 989 C ASP A 62 7.466 15.823 -5.790 1.00 54.43 C ATOM 990 O ASP A 62 7.819 16.705 -6.588 1.00 44.43 O ATOM 991 CB ASP A 62 8.829 13.667 -6.020 1.00 22.03 C ATOM 992 CG ASP A 62 9.513 14.002 -7.358 1.00 1.34 C ATOM 993 OD1 ASP A 62 10.748 14.209 -7.370 1.00 15.35 O ATOM 994 OD2 ASP A 62 8.825 14.040 -8.398 1.00 30.21 O ATOM 0 H ASP A 62 7.633 13.458 -3.855 1.00 53.42 H new ATOM 0 HA ASP A 62 9.422 15.471 -4.968 1.00 35.33 H new ATOM 0 HB2 ASP A 62 9.470 12.983 -5.463 1.00 22.03 H new ATOM 0 HB3 ASP A 62 7.900 13.136 -6.227 1.00 22.03 H new ATOM 999 N GLY A 63 6.180 15.618 -5.419 1.00 5.15 N ATOM 1000 CA GLY A 63 5.051 16.374 -5.973 1.00 11.20 C ATOM 1001 C GLY A 63 4.456 15.723 -7.216 1.00 33.10 C ATOM 1002 O GLY A 63 3.505 16.255 -7.800 1.00 2.40 O ATOM 0 H GLY A 63 5.905 14.922 -4.726 1.00 5.15 H new ATOM 0 HA2 GLY A 63 4.276 16.470 -5.213 1.00 11.20 H new ATOM 0 HA3 GLY A 63 5.382 17.383 -6.220 1.00 11.20 H new ATOM 1006 N LEU A 64 5.014 14.554 -7.584 1.00 42.42 N ATOM 1007 CA LEU A 64 4.683 13.814 -8.813 1.00 40.14 C ATOM 1008 C LEU A 64 3.196 13.455 -8.904 1.00 4.14 C ATOM 1009 O LEU A 64 2.569 13.717 -9.937 1.00 53.51 O ATOM 1010 CB LEU A 64 5.570 12.528 -8.906 1.00 30.44 C ATOM 1011 CG LEU A 64 5.400 11.582 -10.173 1.00 13.32 C ATOM 1012 CD1 LEU A 64 6.721 10.844 -10.495 1.00 2.01 C ATOM 1013 CD2 LEU A 64 4.248 10.540 -10.011 1.00 72.43 C ATOM 0 H LEU A 64 5.725 14.088 -7.020 1.00 42.42 H new ATOM 0 HA LEU A 64 4.894 14.468 -9.659 1.00 40.14 H new ATOM 0 HB2 LEU A 64 6.613 12.840 -8.863 1.00 30.44 H new ATOM 0 HB3 LEU A 64 5.380 11.928 -8.016 1.00 30.44 H new ATOM 0 HG LEU A 64 5.133 12.239 -11.001 1.00 13.32 H new ATOM 0 HD11 LEU A 64 6.577 10.204 -11.365 1.00 2.01 H new ATOM 0 HD12 LEU A 64 7.503 11.573 -10.706 1.00 2.01 H new ATOM 0 HD13 LEU A 64 7.015 10.234 -9.641 1.00 2.01 H new ATOM 0 HD21 LEU A 64 4.184 9.926 -10.909 1.00 72.43 H new ATOM 0 HD22 LEU A 64 4.451 9.904 -9.150 1.00 72.43 H new ATOM 0 HD23 LEU A 64 3.303 11.062 -9.861 1.00 72.43 H new ATOM 1025 N ILE A 65 2.648 12.870 -7.817 1.00 45.21 N ATOM 1026 CA ILE A 65 1.369 12.138 -7.865 1.00 73.31 C ATOM 1027 C ILE A 65 0.198 13.008 -8.374 1.00 42.35 C ATOM 1028 O ILE A 65 -0.326 13.874 -7.662 1.00 14.02 O ATOM 1029 CB ILE A 65 1.002 11.475 -6.485 1.00 73.23 C ATOM 1030 CG1 ILE A 65 2.121 10.486 -6.039 1.00 4.52 C ATOM 1031 CG2 ILE A 65 -0.363 10.749 -6.568 1.00 61.34 C ATOM 1032 CD1 ILE A 65 1.807 9.667 -4.792 1.00 1.24 C ATOM 0 H ILE A 65 3.077 12.892 -6.892 1.00 45.21 H new ATOM 0 HA ILE A 65 1.524 11.339 -8.590 1.00 73.31 H new ATOM 0 HB ILE A 65 0.922 12.266 -5.739 1.00 73.23 H new ATOM 0 HG12 ILE A 65 2.327 9.801 -6.861 1.00 4.52 H new ATOM 0 HG13 ILE A 65 3.035 11.053 -5.861 1.00 4.52 H new ATOM 0 HG21 ILE A 65 -0.595 10.299 -5.603 1.00 61.34 H new ATOM 0 HG22 ILE A 65 -1.141 11.466 -6.830 1.00 61.34 H new ATOM 0 HG23 ILE A 65 -0.315 9.970 -7.329 1.00 61.34 H new ATOM 0 HD11 ILE A 65 2.648 9.011 -4.566 1.00 1.24 H new ATOM 0 HD12 ILE A 65 1.634 10.338 -3.950 1.00 1.24 H new ATOM 0 HD13 ILE A 65 0.915 9.066 -4.967 1.00 1.24 H new ATOM 1044 N THR A 66 -0.130 12.785 -9.656 1.00 54.14 N ATOM 1045 CA THR A 66 -1.376 13.232 -10.276 1.00 3.31 C ATOM 1046 C THR A 66 -2.576 12.521 -9.621 1.00 45.20 C ATOM 1047 O THR A 66 -2.413 11.448 -9.023 1.00 31.40 O ATOM 1048 CB THR A 66 -1.349 12.958 -11.824 1.00 4.02 C ATOM 1049 OG1 THR A 66 -2.586 13.345 -12.444 1.00 32.43 O ATOM 1050 CG2 THR A 66 -1.045 11.481 -12.169 1.00 64.33 C ATOM 0 H THR A 66 0.479 12.279 -10.299 1.00 54.14 H new ATOM 0 HA THR A 66 -1.480 14.306 -10.122 1.00 3.31 H new ATOM 0 HB THR A 66 -0.536 13.568 -12.218 1.00 4.02 H new ATOM 0 HG1 THR A 66 -2.540 13.165 -13.406 1.00 32.43 H new ATOM 0 HG21 THR A 66 -1.040 11.354 -13.252 1.00 64.33 H new ATOM 0 HG22 THR A 66 -0.070 11.207 -11.767 1.00 64.33 H new ATOM 0 HG23 THR A 66 -1.811 10.840 -11.732 1.00 64.33 H new ATOM 1058 N THR A 67 -3.772 13.113 -9.754 1.00 10.34 N ATOM 1059 CA THR A 67 -4.991 12.605 -9.107 1.00 50.12 C ATOM 1060 C THR A 67 -5.289 11.148 -9.545 1.00 33.33 C ATOM 1061 O THR A 67 -5.563 10.297 -8.698 1.00 23.04 O ATOM 1062 CB THR A 67 -6.207 13.542 -9.407 1.00 2.42 C ATOM 1063 OG1 THR A 67 -5.853 14.905 -9.109 1.00 22.25 O ATOM 1064 CG2 THR A 67 -7.460 13.152 -8.599 1.00 51.52 C ATOM 0 H THR A 67 -3.921 13.954 -10.311 1.00 10.34 H new ATOM 0 HA THR A 67 -4.825 12.599 -8.030 1.00 50.12 H new ATOM 0 HB THR A 67 -6.448 13.433 -10.464 1.00 2.42 H new ATOM 0 HG1 THR A 67 -6.616 15.490 -9.299 1.00 22.25 H new ATOM 0 HG21 THR A 67 -8.276 13.832 -8.843 1.00 51.52 H new ATOM 0 HG22 THR A 67 -7.751 12.132 -8.849 1.00 51.52 H new ATOM 0 HG23 THR A 67 -7.240 13.216 -7.533 1.00 51.52 H new ATOM 1072 N VAL A 68 -5.132 10.874 -10.866 1.00 32.20 N ATOM 1073 CA VAL A 68 -5.382 9.541 -11.466 1.00 44.34 C ATOM 1074 C VAL A 68 -4.528 8.451 -10.780 1.00 72.32 C ATOM 1075 O VAL A 68 -5.001 7.339 -10.561 1.00 62.12 O ATOM 1076 CB VAL A 68 -5.072 9.525 -13.016 1.00 64.13 C ATOM 1077 CG1 VAL A 68 -5.434 8.162 -13.657 1.00 23.34 C ATOM 1078 CG2 VAL A 68 -5.786 10.679 -13.754 1.00 61.45 C ATOM 0 H VAL A 68 -4.828 11.573 -11.544 1.00 32.20 H new ATOM 0 HA VAL A 68 -6.440 9.329 -11.314 1.00 44.34 H new ATOM 0 HB VAL A 68 -3.997 9.673 -13.123 1.00 64.13 H new ATOM 0 HG11 VAL A 68 -5.207 8.189 -14.723 1.00 23.34 H new ATOM 0 HG12 VAL A 68 -4.853 7.371 -13.182 1.00 23.34 H new ATOM 0 HG13 VAL A 68 -6.497 7.965 -13.517 1.00 23.34 H new ATOM 0 HG21 VAL A 68 -5.548 10.634 -14.817 1.00 61.45 H new ATOM 0 HG22 VAL A 68 -6.864 10.586 -13.619 1.00 61.45 H new ATOM 0 HG23 VAL A 68 -5.451 11.633 -13.348 1.00 61.45 H new ATOM 1088 N TYR A 69 -3.283 8.825 -10.414 1.00 71.12 N ATOM 1089 CA TYR A 69 -2.268 7.898 -9.878 1.00 45.31 C ATOM 1090 C TYR A 69 -2.735 7.236 -8.565 1.00 53.42 C ATOM 1091 O TYR A 69 -2.438 6.068 -8.323 1.00 73.33 O ATOM 1092 CB TYR A 69 -0.933 8.657 -9.657 1.00 42.23 C ATOM 1093 CG TYR A 69 0.299 7.753 -9.525 1.00 12.35 C ATOM 1094 CD1 TYR A 69 0.742 6.996 -10.613 1.00 61.14 C ATOM 1095 CD2 TYR A 69 1.025 7.659 -8.332 1.00 14.42 C ATOM 1096 CE1 TYR A 69 1.851 6.180 -10.515 1.00 71.20 C ATOM 1097 CE2 TYR A 69 2.137 6.844 -8.231 1.00 23.04 C ATOM 1098 CZ TYR A 69 2.543 6.108 -9.327 1.00 63.53 C ATOM 1099 OH TYR A 69 3.651 5.297 -9.236 1.00 63.24 O ATOM 0 H TYR A 69 -2.953 9.788 -10.484 1.00 71.12 H new ATOM 0 HA TYR A 69 -2.117 7.102 -10.607 1.00 45.31 H new ATOM 0 HB2 TYR A 69 -0.777 9.342 -10.490 1.00 42.23 H new ATOM 0 HB3 TYR A 69 -1.020 9.265 -8.756 1.00 42.23 H new ATOM 0 HD1 TYR A 69 0.206 7.051 -11.549 1.00 61.14 H new ATOM 0 HD2 TYR A 69 0.710 8.234 -7.474 1.00 14.42 H new ATOM 0 HE1 TYR A 69 2.175 5.600 -11.367 1.00 71.20 H new ATOM 0 HE2 TYR A 69 2.684 6.783 -7.302 1.00 23.04 H new ATOM 0 HH TYR A 69 3.971 5.283 -8.310 1.00 63.24 H new ATOM 1109 N PHE A 70 -3.479 8.000 -7.737 1.00 74.11 N ATOM 1110 CA PHE A 70 -4.069 7.495 -6.476 1.00 62.02 C ATOM 1111 C PHE A 70 -5.125 6.397 -6.744 1.00 44.24 C ATOM 1112 O PHE A 70 -5.288 5.476 -5.939 1.00 51.23 O ATOM 1113 CB PHE A 70 -4.698 8.665 -5.646 1.00 34.15 C ATOM 1114 CG PHE A 70 -3.694 9.522 -4.850 1.00 41.31 C ATOM 1115 CD1 PHE A 70 -2.644 8.923 -4.149 1.00 31.42 C ATOM 1116 CD2 PHE A 70 -3.822 10.918 -4.764 1.00 42.52 C ATOM 1117 CE1 PHE A 70 -1.757 9.678 -3.400 1.00 32.54 C ATOM 1118 CE2 PHE A 70 -2.933 11.672 -4.005 1.00 74.45 C ATOM 1119 CZ PHE A 70 -1.902 11.049 -3.323 1.00 21.23 C ATOM 0 H PHE A 70 -3.688 8.981 -7.922 1.00 74.11 H new ATOM 0 HA PHE A 70 -3.262 7.050 -5.894 1.00 62.02 H new ATOM 0 HB2 PHE A 70 -5.248 9.316 -6.326 1.00 34.15 H new ATOM 0 HB3 PHE A 70 -5.424 8.245 -4.950 1.00 34.15 H new ATOM 0 HD1 PHE A 70 -2.522 7.851 -4.192 1.00 31.42 H new ATOM 0 HD2 PHE A 70 -4.622 11.413 -5.295 1.00 42.52 H new ATOM 0 HE1 PHE A 70 -0.948 9.192 -2.874 1.00 32.54 H new ATOM 0 HE2 PHE A 70 -3.047 12.744 -3.948 1.00 74.45 H new ATOM 0 HZ PHE A 70 -1.213 11.634 -2.732 1.00 21.23 H new ATOM 1129 N TYR A 71 -5.848 6.517 -7.873 1.00 13.13 N ATOM 1130 CA TYR A 71 -6.909 5.556 -8.275 1.00 13.22 C ATOM 1131 C TYR A 71 -6.329 4.355 -9.047 1.00 52.10 C ATOM 1132 O TYR A 71 -6.907 3.256 -9.024 1.00 22.04 O ATOM 1133 CB TYR A 71 -8.003 6.276 -9.098 1.00 10.21 C ATOM 1134 CG TYR A 71 -8.673 7.428 -8.325 1.00 23.24 C ATOM 1135 CD1 TYR A 71 -9.791 7.220 -7.507 1.00 43.52 C ATOM 1136 CD2 TYR A 71 -8.160 8.722 -8.393 1.00 72.21 C ATOM 1137 CE1 TYR A 71 -10.364 8.266 -6.793 1.00 3.21 C ATOM 1138 CE2 TYR A 71 -8.728 9.763 -7.689 1.00 35.10 C ATOM 1139 CZ TYR A 71 -9.826 9.538 -6.891 1.00 64.15 C ATOM 1140 OH TYR A 71 -10.383 10.588 -6.176 1.00 24.24 O ATOM 0 H TYR A 71 -5.718 7.281 -8.537 1.00 13.13 H new ATOM 0 HA TYR A 71 -7.364 5.160 -7.367 1.00 13.22 H new ATOM 0 HB2 TYR A 71 -7.562 6.668 -10.015 1.00 10.21 H new ATOM 0 HB3 TYR A 71 -8.763 5.553 -9.394 1.00 10.21 H new ATOM 0 HD1 TYR A 71 -10.215 6.230 -7.430 1.00 43.52 H new ATOM 0 HD2 TYR A 71 -7.296 8.914 -9.012 1.00 72.21 H new ATOM 0 HE1 TYR A 71 -11.224 8.087 -6.165 1.00 3.21 H new ATOM 0 HE2 TYR A 71 -8.310 10.756 -7.764 1.00 35.10 H new ATOM 0 HH TYR A 71 -9.882 11.410 -6.359 1.00 24.24 H new ATOM 1150 N GLU A 72 -5.188 4.575 -9.721 1.00 54.51 N ATOM 1151 CA GLU A 72 -4.380 3.492 -10.313 1.00 11.21 C ATOM 1152 C GLU A 72 -3.900 2.587 -9.184 1.00 45.45 C ATOM 1153 O GLU A 72 -4.062 1.356 -9.217 1.00 0.11 O ATOM 1154 CB GLU A 72 -3.171 4.094 -11.085 1.00 23.04 C ATOM 1155 CG GLU A 72 -3.557 4.942 -12.310 1.00 71.34 C ATOM 1156 CD GLU A 72 -4.150 4.123 -13.474 1.00 54.50 C ATOM 1157 OE1 GLU A 72 -5.366 3.836 -13.468 1.00 45.41 O ATOM 1158 OE2 GLU A 72 -3.397 3.764 -14.409 1.00 21.23 O ATOM 0 H GLU A 72 -4.799 5.506 -9.871 1.00 54.51 H new ATOM 0 HA GLU A 72 -4.976 2.915 -11.020 1.00 11.21 H new ATOM 0 HB2 GLU A 72 -2.589 4.711 -10.400 1.00 23.04 H new ATOM 0 HB3 GLU A 72 -2.522 3.281 -11.411 1.00 23.04 H new ATOM 0 HG2 GLU A 72 -4.281 5.697 -12.004 1.00 71.34 H new ATOM 0 HG3 GLU A 72 -2.674 5.473 -12.665 1.00 71.34 H new ATOM 1165 N LEU A 73 -3.352 3.260 -8.155 1.00 1.42 N ATOM 1166 CA LEU A 73 -2.968 2.639 -6.898 1.00 65.44 C ATOM 1167 C LEU A 73 -4.171 1.929 -6.264 1.00 41.23 C ATOM 1168 O LEU A 73 -4.073 0.768 -5.976 1.00 52.53 O ATOM 1169 CB LEU A 73 -2.348 3.686 -5.916 1.00 23.11 C ATOM 1170 CG LEU A 73 -0.786 3.708 -5.825 1.00 62.40 C ATOM 1171 CD1 LEU A 73 -0.227 2.389 -5.217 1.00 32.25 C ATOM 1172 CD2 LEU A 73 -0.139 4.014 -7.201 1.00 73.42 C ATOM 0 H LEU A 73 -3.166 4.262 -8.185 1.00 1.42 H new ATOM 0 HA LEU A 73 -2.201 1.893 -7.106 1.00 65.44 H new ATOM 0 HB2 LEU A 73 -2.688 4.678 -6.214 1.00 23.11 H new ATOM 0 HB3 LEU A 73 -2.747 3.498 -4.919 1.00 23.11 H new ATOM 0 HG LEU A 73 -0.515 4.519 -5.148 1.00 62.40 H new ATOM 0 HD11 LEU A 73 0.861 2.442 -5.170 1.00 32.25 H new ATOM 0 HD12 LEU A 73 -0.627 2.253 -4.212 1.00 32.25 H new ATOM 0 HD13 LEU A 73 -0.522 1.546 -5.842 1.00 32.25 H new ATOM 0 HD21 LEU A 73 0.946 4.021 -7.099 1.00 73.42 H new ATOM 0 HD22 LEU A 73 -0.431 3.248 -7.919 1.00 73.42 H new ATOM 0 HD23 LEU A 73 -0.477 4.989 -7.553 1.00 73.42 H new ATOM 1184 N GLN A 74 -5.312 2.631 -6.123 1.00 73.22 N ATOM 1185 CA GLN A 74 -6.520 2.116 -5.414 1.00 61.42 C ATOM 1186 C GLN A 74 -7.032 0.786 -6.025 1.00 1.33 C ATOM 1187 O GLN A 74 -7.287 -0.188 -5.289 1.00 64.24 O ATOM 1188 CB GLN A 74 -7.646 3.189 -5.432 1.00 42.32 C ATOM 1189 CG GLN A 74 -8.914 2.858 -4.578 1.00 21.23 C ATOM 1190 CD GLN A 74 -10.202 2.742 -5.405 1.00 52.03 C ATOM 1191 OE1 GLN A 74 -10.908 3.726 -5.621 1.00 13.04 O ATOM 1192 NE2 GLN A 74 -10.512 1.541 -5.875 1.00 33.41 N ATOM 0 H GLN A 74 -5.431 3.573 -6.495 1.00 73.22 H new ATOM 0 HA GLN A 74 -6.234 1.909 -4.383 1.00 61.42 H new ATOM 0 HB2 GLN A 74 -7.229 4.132 -5.079 1.00 42.32 H new ATOM 0 HB3 GLN A 74 -7.957 3.345 -6.465 1.00 42.32 H new ATOM 0 HG2 GLN A 74 -8.749 1.921 -4.046 1.00 21.23 H new ATOM 0 HG3 GLN A 74 -9.046 3.634 -3.824 1.00 21.23 H new ATOM 0 HE21 GLN A 74 -9.906 0.744 -5.679 1.00 33.41 H new ATOM 0 HE22 GLN A 74 -11.356 1.414 -6.433 1.00 33.41 H new ATOM 1201 N GLU A 75 -7.127 0.747 -7.379 1.00 10.41 N ATOM 1202 CA GLU A 75 -7.576 -0.449 -8.113 1.00 60.03 C ATOM 1203 C GLU A 75 -6.548 -1.582 -7.947 1.00 55.24 C ATOM 1204 O GLU A 75 -6.922 -2.702 -7.602 1.00 24.33 O ATOM 1205 CB GLU A 75 -7.789 -0.151 -9.620 1.00 51.43 C ATOM 1206 CG GLU A 75 -8.328 -1.374 -10.411 1.00 30.43 C ATOM 1207 CD GLU A 75 -8.412 -1.170 -11.936 1.00 50.10 C ATOM 1208 OE1 GLU A 75 -7.370 -1.298 -12.620 1.00 54.20 O ATOM 1209 OE2 GLU A 75 -9.522 -0.937 -12.464 1.00 75.44 O ATOM 0 H GLU A 75 -6.896 1.538 -7.980 1.00 10.41 H new ATOM 0 HA GLU A 75 -8.534 -0.756 -7.694 1.00 60.03 H new ATOM 0 HB2 GLU A 75 -8.488 0.679 -9.725 1.00 51.43 H new ATOM 0 HB3 GLU A 75 -6.844 0.170 -10.058 1.00 51.43 H new ATOM 0 HG2 GLU A 75 -7.687 -2.232 -10.208 1.00 30.43 H new ATOM 0 HG3 GLU A 75 -9.321 -1.623 -10.036 1.00 30.43 H new ATOM 1216 N ASN A 76 -5.248 -1.245 -8.160 1.00 73.22 N ATOM 1217 CA ASN A 76 -4.118 -2.185 -7.990 1.00 35.22 C ATOM 1218 C ASN A 76 -4.145 -2.832 -6.590 1.00 42.24 C ATOM 1219 O ASN A 76 -4.176 -4.049 -6.475 1.00 72.33 O ATOM 1220 CB ASN A 76 -2.767 -1.445 -8.258 1.00 72.31 C ATOM 1221 CG ASN A 76 -1.521 -2.144 -7.684 1.00 21.10 C ATOM 1222 OD1 ASN A 76 -0.911 -2.999 -8.328 1.00 42.02 O ATOM 1223 ND2 ASN A 76 -1.128 -1.781 -6.465 1.00 24.01 N ATOM 0 H ASN A 76 -4.959 -0.312 -8.454 1.00 73.22 H new ATOM 0 HA ASN A 76 -4.215 -2.991 -8.717 1.00 35.22 H new ATOM 0 HB2 ASN A 76 -2.639 -1.332 -9.334 1.00 72.31 H new ATOM 0 HB3 ASN A 76 -2.829 -0.442 -7.837 1.00 72.31 H new ATOM 0 HD21 ASN A 76 -0.305 -2.213 -6.045 1.00 24.01 H new ATOM 0 HD22 ASN A 76 -1.650 -1.071 -5.951 1.00 24.01 H new ATOM 1230 N LEU A 77 -4.243 -1.981 -5.567 1.00 43.13 N ATOM 1231 CA LEU A 77 -4.159 -2.353 -4.151 1.00 60.23 C ATOM 1232 C LEU A 77 -5.302 -3.303 -3.770 1.00 63.02 C ATOM 1233 O LEU A 77 -5.071 -4.344 -3.154 1.00 40.42 O ATOM 1234 CB LEU A 77 -4.194 -1.073 -3.256 1.00 3.01 C ATOM 1235 CG LEU A 77 -2.941 -0.130 -3.308 1.00 32.31 C ATOM 1236 CD1 LEU A 77 -3.168 1.147 -2.455 1.00 61.01 C ATOM 1237 CD2 LEU A 77 -1.646 -0.869 -2.899 1.00 22.22 C ATOM 0 H LEU A 77 -4.388 -0.981 -5.705 1.00 43.13 H new ATOM 0 HA LEU A 77 -3.215 -2.872 -3.986 1.00 60.23 H new ATOM 0 HB2 LEU A 77 -5.070 -0.488 -3.537 1.00 3.01 H new ATOM 0 HB3 LEU A 77 -4.338 -1.387 -2.222 1.00 3.01 H new ATOM 0 HG LEU A 77 -2.810 0.183 -4.344 1.00 32.31 H new ATOM 0 HD11 LEU A 77 -2.284 1.782 -2.509 1.00 61.01 H new ATOM 0 HD12 LEU A 77 -4.031 1.692 -2.838 1.00 61.01 H new ATOM 0 HD13 LEU A 77 -3.349 0.864 -1.418 1.00 61.01 H new ATOM 0 HD21 LEU A 77 -0.803 -0.180 -2.949 1.00 22.22 H new ATOM 0 HD22 LEU A 77 -1.748 -1.245 -1.881 1.00 22.22 H new ATOM 0 HD23 LEU A 77 -1.473 -1.704 -3.579 1.00 22.22 H new ATOM 1249 N GLU A 78 -6.537 -2.936 -4.159 1.00 73.10 N ATOM 1250 CA GLU A 78 -7.729 -3.732 -3.826 1.00 44.35 C ATOM 1251 C GLU A 78 -7.884 -4.973 -4.729 1.00 40.31 C ATOM 1252 O GLU A 78 -8.572 -5.937 -4.354 1.00 64.54 O ATOM 1253 CB GLU A 78 -8.982 -2.842 -3.820 1.00 43.52 C ATOM 1254 CG GLU A 78 -8.972 -1.822 -2.660 1.00 70.35 C ATOM 1255 CD GLU A 78 -10.237 -0.964 -2.595 1.00 4.10 C ATOM 1256 OE1 GLU A 78 -10.311 0.046 -3.319 1.00 4.23 O ATOM 1257 OE2 GLU A 78 -11.174 -1.307 -1.840 1.00 4.12 O ATOM 0 H GLU A 78 -6.733 -2.096 -4.703 1.00 73.10 H new ATOM 0 HA GLU A 78 -7.597 -4.126 -2.818 1.00 44.35 H new ATOM 0 HB2 GLU A 78 -9.051 -2.309 -4.768 1.00 43.52 H new ATOM 0 HB3 GLU A 78 -9.870 -3.469 -3.741 1.00 43.52 H new ATOM 0 HG2 GLU A 78 -8.855 -2.356 -1.717 1.00 70.35 H new ATOM 0 HG3 GLU A 78 -8.105 -1.170 -2.766 1.00 70.35 H new ATOM 1264 N LYS A 79 -7.219 -4.972 -5.896 1.00 65.12 N ATOM 1265 CA LYS A 79 -7.176 -6.163 -6.765 1.00 21.41 C ATOM 1266 C LYS A 79 -6.189 -7.205 -6.190 1.00 31.25 C ATOM 1267 O LYS A 79 -6.459 -8.395 -6.242 1.00 74.45 O ATOM 1268 CB LYS A 79 -6.816 -5.780 -8.223 1.00 74.43 C ATOM 1269 CG LYS A 79 -7.138 -6.876 -9.259 1.00 70.41 C ATOM 1270 CD LYS A 79 -6.831 -6.429 -10.701 1.00 11.12 C ATOM 1271 CE LYS A 79 -7.257 -7.466 -11.747 1.00 73.10 C ATOM 1272 NZ LYS A 79 -6.951 -7.014 -13.131 1.00 25.52 N ATOM 0 H LYS A 79 -6.707 -4.168 -6.259 1.00 65.12 H new ATOM 0 HA LYS A 79 -8.169 -6.612 -6.789 1.00 21.41 H new ATOM 0 HB2 LYS A 79 -7.354 -4.871 -8.492 1.00 74.43 H new ATOM 0 HB3 LYS A 79 -5.752 -5.548 -8.274 1.00 74.43 H new ATOM 0 HG2 LYS A 79 -6.561 -7.771 -9.028 1.00 70.41 H new ATOM 0 HG3 LYS A 79 -8.191 -7.147 -9.182 1.00 70.41 H new ATOM 0 HD2 LYS A 79 -7.341 -5.487 -10.901 1.00 11.12 H new ATOM 0 HD3 LYS A 79 -5.762 -6.239 -10.798 1.00 11.12 H new ATOM 0 HE2 LYS A 79 -6.747 -8.409 -11.552 1.00 73.10 H new ATOM 0 HE3 LYS A 79 -8.326 -7.657 -11.655 1.00 73.10 H new ATOM 0 HZ1 LYS A 79 -7.254 -7.742 -13.809 1.00 25.52 H new ATOM 0 HZ2 LYS A 79 -7.457 -6.127 -13.326 1.00 25.52 H new ATOM 0 HZ3 LYS A 79 -5.927 -6.856 -13.226 1.00 25.52 H new ATOM 1286 N LEU A 80 -5.068 -6.722 -5.609 1.00 12.11 N ATOM 1287 CA LEU A 80 -4.088 -7.556 -4.867 1.00 22.23 C ATOM 1288 C LEU A 80 -4.760 -8.141 -3.609 1.00 51.12 C ATOM 1289 O LEU A 80 -4.600 -9.319 -3.282 1.00 75.33 O ATOM 1290 CB LEU A 80 -2.875 -6.678 -4.445 1.00 71.05 C ATOM 1291 CG LEU A 80 -2.013 -6.075 -5.594 1.00 61.31 C ATOM 1292 CD1 LEU A 80 -1.046 -4.999 -5.055 1.00 70.24 C ATOM 1293 CD2 LEU A 80 -1.256 -7.181 -6.355 1.00 10.42 C ATOM 0 H LEU A 80 -4.813 -5.735 -5.641 1.00 12.11 H new ATOM 0 HA LEU A 80 -3.744 -8.369 -5.507 1.00 22.23 H new ATOM 0 HB2 LEU A 80 -3.246 -5.857 -3.832 1.00 71.05 H new ATOM 0 HB3 LEU A 80 -2.224 -7.280 -3.811 1.00 71.05 H new ATOM 0 HG LEU A 80 -2.686 -5.589 -6.301 1.00 61.31 H new ATOM 0 HD11 LEU A 80 -0.456 -4.595 -5.878 1.00 70.24 H new ATOM 0 HD12 LEU A 80 -1.618 -4.196 -4.590 1.00 70.24 H new ATOM 0 HD13 LEU A 80 -0.380 -5.445 -4.317 1.00 70.24 H new ATOM 0 HD21 LEU A 80 -0.662 -6.733 -7.152 1.00 10.42 H new ATOM 0 HD22 LEU A 80 -0.598 -7.712 -5.666 1.00 10.42 H new ATOM 0 HD23 LEU A 80 -1.972 -7.881 -6.786 1.00 10.42 H new ATOM 1305 N LEU A 81 -5.510 -7.257 -2.921 1.00 11.15 N ATOM 1306 CA LEU A 81 -6.393 -7.596 -1.787 1.00 71.04 C ATOM 1307 C LEU A 81 -7.357 -8.738 -2.165 1.00 23.22 C ATOM 1308 O LEU A 81 -7.560 -9.672 -1.387 1.00 11.12 O ATOM 1309 CB LEU A 81 -7.219 -6.341 -1.402 1.00 55.12 C ATOM 1310 CG LEU A 81 -8.438 -6.544 -0.429 1.00 34.43 C ATOM 1311 CD1 LEU A 81 -8.052 -6.355 1.047 1.00 22.22 C ATOM 1312 CD2 LEU A 81 -9.645 -5.654 -0.823 1.00 4.15 C ATOM 0 H LEU A 81 -5.519 -6.262 -3.144 1.00 11.15 H new ATOM 0 HA LEU A 81 -5.779 -7.923 -0.948 1.00 71.04 H new ATOM 0 HB2 LEU A 81 -6.541 -5.619 -0.946 1.00 55.12 H new ATOM 0 HB3 LEU A 81 -7.594 -5.890 -2.321 1.00 55.12 H new ATOM 0 HG LEU A 81 -8.749 -7.583 -0.539 1.00 34.43 H new ATOM 0 HD11 LEU A 81 -8.930 -6.506 1.675 1.00 22.22 H new ATOM 0 HD12 LEU A 81 -7.283 -7.079 1.318 1.00 22.22 H new ATOM 0 HD13 LEU A 81 -7.669 -5.346 1.196 1.00 22.22 H new ATOM 0 HD21 LEU A 81 -10.466 -5.824 -0.126 1.00 4.15 H new ATOM 0 HD22 LEU A 81 -9.351 -4.605 -0.787 1.00 4.15 H new ATOM 0 HD23 LEU A 81 -9.969 -5.906 -1.833 1.00 4.15 H new ATOM 1324 N GLN A 82 -7.966 -8.607 -3.366 1.00 61.31 N ATOM 1325 CA GLN A 82 -8.923 -9.590 -3.909 1.00 21.32 C ATOM 1326 C GLN A 82 -8.225 -10.937 -4.204 1.00 71.00 C ATOM 1327 O GLN A 82 -8.759 -12.007 -3.886 1.00 14.34 O ATOM 1328 CB GLN A 82 -9.617 -9.023 -5.190 1.00 30.32 C ATOM 1329 CG GLN A 82 -10.934 -9.730 -5.582 1.00 34.10 C ATOM 1330 CD GLN A 82 -11.992 -9.681 -4.475 1.00 11.24 C ATOM 1331 OE1 GLN A 82 -12.782 -8.739 -4.387 1.00 32.54 O ATOM 1332 NE2 GLN A 82 -12.026 -10.706 -3.635 1.00 1.52 N ATOM 0 H GLN A 82 -7.805 -7.813 -3.985 1.00 61.31 H new ATOM 0 HA GLN A 82 -9.691 -9.774 -3.158 1.00 21.32 H new ATOM 0 HB2 GLN A 82 -9.822 -7.964 -5.036 1.00 30.32 H new ATOM 0 HB3 GLN A 82 -8.920 -9.095 -6.025 1.00 30.32 H new ATOM 0 HG2 GLN A 82 -11.336 -9.265 -6.482 1.00 34.10 H new ATOM 0 HG3 GLN A 82 -10.722 -10.770 -5.829 1.00 34.10 H new ATOM 0 HE21 GLN A 82 -11.358 -11.470 -3.735 1.00 1.52 H new ATOM 0 HE22 GLN A 82 -12.721 -10.731 -2.888 1.00 1.52 H new ATOM 1341 N ASP A 83 -7.015 -10.862 -4.790 1.00 52.41 N ATOM 1342 CA ASP A 83 -6.190 -12.052 -5.094 1.00 64.44 C ATOM 1343 C ASP A 83 -5.619 -12.710 -3.823 1.00 73.24 C ATOM 1344 O ASP A 83 -5.251 -13.891 -3.845 1.00 53.33 O ATOM 1345 CB ASP A 83 -5.052 -11.701 -6.090 1.00 65.41 C ATOM 1346 CG ASP A 83 -5.576 -11.489 -7.524 1.00 71.34 C ATOM 1347 OD1 ASP A 83 -6.086 -12.465 -8.126 1.00 23.44 O ATOM 1348 OD2 ASP A 83 -5.513 -10.360 -8.051 1.00 5.34 O ATOM 0 H ASP A 83 -6.582 -9.981 -5.066 1.00 52.41 H new ATOM 0 HA ASP A 83 -6.850 -12.781 -5.564 1.00 64.44 H new ATOM 0 HB2 ASP A 83 -4.544 -10.797 -5.754 1.00 65.41 H new ATOM 0 HB3 ASP A 83 -4.312 -12.502 -6.090 1.00 65.41 H new ATOM 1353 N ALA A 84 -5.530 -11.942 -2.726 1.00 3.42 N ATOM 1354 CA ALA A 84 -5.186 -12.488 -1.405 1.00 45.22 C ATOM 1355 C ALA A 84 -6.402 -13.224 -0.823 1.00 72.32 C ATOM 1356 O ALA A 84 -6.286 -14.385 -0.404 1.00 43.11 O ATOM 1357 CB ALA A 84 -4.716 -11.365 -0.473 1.00 40.53 C ATOM 0 H ALA A 84 -5.693 -10.935 -2.729 1.00 3.42 H new ATOM 0 HA ALA A 84 -4.367 -13.200 -1.506 1.00 45.22 H new ATOM 0 HB1 ALA A 84 -4.464 -11.783 0.502 1.00 40.53 H new ATOM 0 HB2 ALA A 84 -3.836 -10.883 -0.899 1.00 40.53 H new ATOM 0 HB3 ALA A 84 -5.513 -10.630 -0.358 1.00 40.53 H new ATOM 1363 N TYR A 85 -7.575 -12.537 -0.869 1.00 43.31 N ATOM 1364 CA TYR A 85 -8.868 -13.038 -0.336 1.00 65.21 C ATOM 1365 C TYR A 85 -9.177 -14.449 -0.839 1.00 10.55 C ATOM 1366 O TYR A 85 -9.412 -15.383 -0.059 1.00 1.15 O ATOM 1367 CB TYR A 85 -10.052 -12.090 -0.746 1.00 63.12 C ATOM 1368 CG TYR A 85 -10.293 -10.868 0.154 1.00 2.45 C ATOM 1369 CD1 TYR A 85 -9.904 -10.853 1.497 1.00 51.15 C ATOM 1370 CD2 TYR A 85 -10.959 -9.738 -0.338 1.00 10.24 C ATOM 1371 CE1 TYR A 85 -10.160 -9.760 2.303 1.00 33.21 C ATOM 1372 CE2 TYR A 85 -11.212 -8.653 0.466 1.00 2.50 C ATOM 1373 CZ TYR A 85 -10.812 -8.664 1.782 1.00 70.14 C ATOM 1374 OH TYR A 85 -11.064 -7.569 2.582 1.00 43.11 O ATOM 0 H TYR A 85 -7.648 -11.608 -1.283 1.00 43.31 H new ATOM 0 HA TYR A 85 -8.770 -13.059 0.749 1.00 65.21 H new ATOM 0 HB2 TYR A 85 -9.870 -11.736 -1.761 1.00 63.12 H new ATOM 0 HB3 TYR A 85 -10.968 -12.680 -0.773 1.00 63.12 H new ATOM 0 HD1 TYR A 85 -9.395 -11.710 1.912 1.00 51.15 H new ATOM 0 HD2 TYR A 85 -11.280 -9.719 -1.369 1.00 10.24 H new ATOM 0 HE1 TYR A 85 -9.850 -9.765 3.338 1.00 33.21 H new ATOM 0 HE2 TYR A 85 -11.725 -7.791 0.065 1.00 2.50 H new ATOM 0 HH TYR A 85 -11.530 -6.883 2.060 1.00 43.11 H new ATOM 1384 N GLU A 86 -9.122 -14.594 -2.163 1.00 13.34 N ATOM 1385 CA GLU A 86 -9.574 -15.794 -2.854 1.00 14.20 C ATOM 1386 C GLU A 86 -8.389 -16.689 -3.244 1.00 41.30 C ATOM 1387 O GLU A 86 -8.346 -17.240 -4.351 1.00 42.44 O ATOM 1388 CB GLU A 86 -10.427 -15.370 -4.079 1.00 35.40 C ATOM 1389 CG GLU A 86 -11.643 -14.495 -3.713 1.00 42.14 C ATOM 1390 CD GLU A 86 -12.576 -14.242 -4.902 1.00 45.10 C ATOM 1391 OE1 GLU A 86 -13.379 -15.146 -5.236 1.00 12.21 O ATOM 1392 OE2 GLU A 86 -12.518 -13.150 -5.506 1.00 14.05 O ATOM 0 H GLU A 86 -8.759 -13.874 -2.788 1.00 13.34 H new ATOM 0 HA GLU A 86 -10.196 -16.394 -2.190 1.00 14.20 H new ATOM 0 HB2 GLU A 86 -9.795 -14.824 -4.779 1.00 35.40 H new ATOM 0 HB3 GLU A 86 -10.776 -16.264 -4.595 1.00 35.40 H new ATOM 0 HG2 GLU A 86 -12.205 -14.979 -2.914 1.00 42.14 H new ATOM 0 HG3 GLU A 86 -11.292 -13.539 -3.323 1.00 42.14 H new ATOM 1399 N ARG A 87 -7.421 -16.840 -2.315 1.00 61.22 N ATOM 1400 CA ARG A 87 -6.336 -17.830 -2.474 1.00 73.54 C ATOM 1401 C ARG A 87 -6.450 -18.886 -1.362 1.00 1.40 C ATOM 1402 O ARG A 87 -6.751 -20.059 -1.632 1.00 23.12 O ATOM 1403 CB ARG A 87 -4.908 -17.169 -2.489 1.00 72.13 C ATOM 1404 CG ARG A 87 -3.970 -17.759 -3.578 1.00 61.20 C ATOM 1405 CD ARG A 87 -2.484 -17.361 -3.429 1.00 51.34 C ATOM 1406 NE ARG A 87 -1.690 -17.832 -4.582 1.00 63.45 N ATOM 1407 CZ ARG A 87 -0.396 -18.191 -4.561 1.00 33.34 C ATOM 1408 NH1 ARG A 87 0.312 -18.158 -3.425 1.00 34.23 N ATOM 1409 NH2 ARG A 87 0.179 -18.577 -5.695 1.00 74.40 N ATOM 0 H ARG A 87 -7.369 -16.294 -1.455 1.00 61.22 H new ATOM 0 HA ARG A 87 -6.453 -18.308 -3.447 1.00 73.54 H new ATOM 0 HB2 ARG A 87 -5.013 -16.096 -2.652 1.00 72.13 H new ATOM 0 HB3 ARG A 87 -4.445 -17.299 -1.511 1.00 72.13 H new ATOM 0 HG2 ARG A 87 -4.046 -18.846 -3.555 1.00 61.20 H new ATOM 0 HG3 ARG A 87 -4.323 -17.436 -4.557 1.00 61.20 H new ATOM 0 HD2 ARG A 87 -2.401 -16.277 -3.345 1.00 51.34 H new ATOM 0 HD3 ARG A 87 -2.081 -17.784 -2.509 1.00 51.34 H new ATOM 0 HE ARG A 87 -2.170 -17.890 -5.480 1.00 63.45 H new ATOM 0 HH11 ARG A 87 -0.131 -17.857 -2.557 1.00 34.23 H new ATOM 0 HH12 ARG A 87 1.294 -18.434 -3.428 1.00 34.23 H new ATOM 0 HH21 ARG A 87 -0.361 -18.597 -6.560 1.00 74.40 H new ATOM 0 HH22 ARG A 87 1.161 -18.854 -5.701 1.00 74.40 H new ATOM 1423 N SER A 88 -6.258 -18.454 -0.097 1.00 74.00 N ATOM 1424 CA SER A 88 -6.140 -19.387 1.048 1.00 41.11 C ATOM 1425 C SER A 88 -7.204 -19.170 2.154 1.00 23.12 C ATOM 1426 O SER A 88 -7.632 -20.144 2.783 1.00 75.43 O ATOM 1427 CB SER A 88 -4.711 -19.286 1.635 1.00 33.14 C ATOM 1428 OG SER A 88 -4.382 -17.953 2.003 1.00 10.52 O ATOM 0 H SER A 88 -6.181 -17.469 0.158 1.00 74.00 H new ATOM 0 HA SER A 88 -6.328 -20.389 0.664 1.00 41.11 H new ATOM 0 HB2 SER A 88 -4.630 -19.934 2.508 1.00 33.14 H new ATOM 0 HB3 SER A 88 -3.991 -19.648 0.901 1.00 33.14 H new ATOM 0 HG SER A 88 -3.490 -17.936 2.408 1.00 10.52 H new ATOM 1434 N GLU A 89 -7.618 -17.903 2.380 1.00 14.22 N ATOM 1435 CA GLU A 89 -8.387 -17.490 3.595 1.00 34.12 C ATOM 1436 C GLU A 89 -7.624 -17.864 4.894 1.00 3.45 C ATOM 1437 O GLU A 89 -8.217 -18.251 5.908 1.00 5.44 O ATOM 1438 CB GLU A 89 -9.854 -18.036 3.617 1.00 20.15 C ATOM 1439 CG GLU A 89 -10.847 -17.260 2.728 1.00 71.12 C ATOM 1440 CD GLU A 89 -12.313 -17.643 3.011 1.00 4.31 C ATOM 1441 OE1 GLU A 89 -12.821 -17.309 4.105 1.00 23.52 O ATOM 1442 OE2 GLU A 89 -12.957 -18.297 2.165 1.00 33.41 O ATOM 0 H GLU A 89 -7.434 -17.135 1.734 1.00 14.22 H new ATOM 0 HA GLU A 89 -8.473 -16.404 3.546 1.00 34.12 H new ATOM 0 HB2 GLU A 89 -9.843 -19.079 3.300 1.00 20.15 H new ATOM 0 HB3 GLU A 89 -10.218 -18.019 4.644 1.00 20.15 H new ATOM 0 HG2 GLU A 89 -10.716 -16.190 2.890 1.00 71.12 H new ATOM 0 HG3 GLU A 89 -10.620 -17.454 1.680 1.00 71.12 H new ATOM 1449 N SER A 90 -6.298 -17.702 4.837 1.00 0.43 N ATOM 1450 CA SER A 90 -5.376 -18.027 5.934 1.00 40.22 C ATOM 1451 C SER A 90 -4.709 -16.729 6.472 1.00 71.21 C ATOM 1452 O SER A 90 -5.189 -15.624 6.196 1.00 44.13 O ATOM 1453 CB SER A 90 -4.353 -19.069 5.404 1.00 2.41 C ATOM 1454 OG SER A 90 -5.008 -20.245 4.913 1.00 42.30 O ATOM 0 H SER A 90 -5.825 -17.334 4.012 1.00 0.43 H new ATOM 0 HA SER A 90 -5.901 -18.467 6.782 1.00 40.22 H new ATOM 0 HB2 SER A 90 -3.758 -18.623 4.607 1.00 2.41 H new ATOM 0 HB3 SER A 90 -3.663 -19.342 6.203 1.00 2.41 H new ATOM 0 HG SER A 90 -4.338 -20.880 4.585 1.00 42.30 H new ATOM 1460 N LEU A 91 -3.622 -16.886 7.252 1.00 1.23 N ATOM 1461 CA LEU A 91 -2.904 -15.782 7.939 1.00 41.03 C ATOM 1462 C LEU A 91 -2.382 -14.729 6.926 1.00 72.52 C ATOM 1463 O LEU A 91 -2.408 -13.519 7.202 1.00 52.10 O ATOM 1464 CB LEU A 91 -1.742 -16.409 8.793 1.00 45.21 C ATOM 1465 CG LEU A 91 -1.375 -15.718 10.153 1.00 54.55 C ATOM 1466 CD1 LEU A 91 -0.358 -16.571 10.946 1.00 35.42 C ATOM 1467 CD2 LEU A 91 -0.849 -14.278 9.962 1.00 63.34 C ATOM 0 H LEU A 91 -3.206 -17.800 7.429 1.00 1.23 H new ATOM 0 HA LEU A 91 -3.587 -15.247 8.599 1.00 41.03 H new ATOM 0 HB2 LEU A 91 -2.004 -17.446 9.005 1.00 45.21 H new ATOM 0 HB3 LEU A 91 -0.845 -16.427 8.174 1.00 45.21 H new ATOM 0 HG LEU A 91 -2.297 -15.646 10.729 1.00 54.55 H new ATOM 0 HD11 LEU A 91 -0.119 -16.072 11.885 1.00 35.42 H new ATOM 0 HD12 LEU A 91 -0.789 -17.550 11.155 1.00 35.42 H new ATOM 0 HD13 LEU A 91 0.552 -16.693 10.358 1.00 35.42 H new ATOM 0 HD21 LEU A 91 -0.610 -13.846 10.934 1.00 63.34 H new ATOM 0 HD22 LEU A 91 0.048 -14.297 9.343 1.00 63.34 H new ATOM 0 HD23 LEU A 91 -1.613 -13.673 9.474 1.00 63.34 H new ATOM 1479 N GLU A 92 -1.963 -15.202 5.742 1.00 23.35 N ATOM 1480 CA GLU A 92 -1.389 -14.342 4.691 1.00 65.44 C ATOM 1481 C GLU A 92 -2.441 -13.319 4.196 1.00 73.32 C ATOM 1482 O GLU A 92 -2.108 -12.183 3.867 1.00 24.12 O ATOM 1483 CB GLU A 92 -0.894 -15.175 3.472 1.00 75.14 C ATOM 1484 CG GLU A 92 -0.059 -16.451 3.769 1.00 74.55 C ATOM 1485 CD GLU A 92 -0.920 -17.683 4.142 1.00 34.31 C ATOM 1486 OE1 GLU A 92 -1.514 -18.304 3.230 1.00 74.31 O ATOM 1487 OE2 GLU A 92 -1.017 -18.018 5.346 1.00 21.12 O ATOM 0 H GLU A 92 -2.012 -16.188 5.485 1.00 23.35 H new ATOM 0 HA GLU A 92 -0.538 -13.823 5.133 1.00 65.44 H new ATOM 0 HB2 GLU A 92 -1.767 -15.472 2.890 1.00 75.14 H new ATOM 0 HB3 GLU A 92 -0.295 -14.521 2.838 1.00 75.14 H new ATOM 0 HG2 GLU A 92 0.545 -16.692 2.894 1.00 74.55 H new ATOM 0 HG3 GLU A 92 0.632 -16.241 4.585 1.00 74.55 H new ATOM 1494 N VAL A 93 -3.710 -13.773 4.145 1.00 20.02 N ATOM 1495 CA VAL A 93 -4.862 -12.953 3.721 1.00 2.24 C ATOM 1496 C VAL A 93 -5.112 -11.807 4.718 1.00 11.24 C ATOM 1497 O VAL A 93 -5.296 -10.662 4.307 1.00 20.13 O ATOM 1498 CB VAL A 93 -6.150 -13.841 3.582 1.00 15.40 C ATOM 1499 CG1 VAL A 93 -7.384 -13.023 3.136 1.00 63.44 C ATOM 1500 CG2 VAL A 93 -5.870 -15.020 2.634 1.00 72.15 C ATOM 0 H VAL A 93 -3.965 -14.727 4.399 1.00 20.02 H new ATOM 0 HA VAL A 93 -4.630 -12.520 2.748 1.00 2.24 H new ATOM 0 HB VAL A 93 -6.396 -14.237 4.567 1.00 15.40 H new ATOM 0 HG11 VAL A 93 -8.248 -13.683 3.055 1.00 63.44 H new ATOM 0 HG12 VAL A 93 -7.590 -12.245 3.871 1.00 63.44 H new ATOM 0 HG13 VAL A 93 -7.186 -12.564 2.167 1.00 63.44 H new ATOM 0 HG21 VAL A 93 -6.767 -15.633 2.541 1.00 72.15 H new ATOM 0 HG22 VAL A 93 -5.588 -14.639 1.653 1.00 72.15 H new ATOM 0 HG23 VAL A 93 -5.057 -15.625 3.036 1.00 72.15 H new ATOM 1510 N ALA A 94 -5.080 -12.139 6.028 1.00 65.31 N ATOM 1511 CA ALA A 94 -5.268 -11.162 7.124 1.00 74.22 C ATOM 1512 C ALA A 94 -4.220 -10.042 7.039 1.00 21.54 C ATOM 1513 O ALA A 94 -4.563 -8.853 7.099 1.00 72.21 O ATOM 1514 CB ALA A 94 -5.192 -11.868 8.487 1.00 54.02 C ATOM 0 H ALA A 94 -4.923 -13.092 6.355 1.00 65.31 H new ATOM 0 HA ALA A 94 -6.256 -10.713 7.019 1.00 74.22 H new ATOM 0 HB1 ALA A 94 -5.332 -11.137 9.284 1.00 54.02 H new ATOM 0 HB2 ALA A 94 -5.973 -12.626 8.548 1.00 54.02 H new ATOM 0 HB3 ALA A 94 -4.217 -12.342 8.597 1.00 54.02 H new ATOM 1520 N PHE A 95 -2.949 -10.469 6.843 1.00 21.24 N ATOM 1521 CA PHE A 95 -1.793 -9.573 6.665 1.00 62.34 C ATOM 1522 C PHE A 95 -2.085 -8.560 5.548 1.00 70.05 C ATOM 1523 O PHE A 95 -2.169 -7.363 5.812 1.00 52.11 O ATOM 1524 CB PHE A 95 -0.508 -10.405 6.345 1.00 61.22 C ATOM 1525 CG PHE A 95 0.790 -9.587 6.213 1.00 52.03 C ATOM 1526 CD1 PHE A 95 1.155 -8.974 5.004 1.00 51.45 C ATOM 1527 CD2 PHE A 95 1.656 -9.432 7.302 1.00 73.34 C ATOM 1528 CE1 PHE A 95 2.325 -8.239 4.894 1.00 31.34 C ATOM 1529 CE2 PHE A 95 2.824 -8.693 7.187 1.00 65.31 C ATOM 1530 CZ PHE A 95 3.158 -8.101 5.986 1.00 72.13 C ATOM 0 H PHE A 95 -2.701 -11.458 6.805 1.00 21.24 H new ATOM 0 HA PHE A 95 -1.618 -9.025 7.591 1.00 62.34 H new ATOM 0 HB2 PHE A 95 -0.371 -11.148 7.131 1.00 61.22 H new ATOM 0 HB3 PHE A 95 -0.670 -10.950 5.415 1.00 61.22 H new ATOM 0 HD1 PHE A 95 0.512 -9.077 4.143 1.00 51.45 H new ATOM 0 HD2 PHE A 95 1.411 -9.895 8.246 1.00 73.34 H new ATOM 0 HE1 PHE A 95 2.585 -7.774 3.954 1.00 31.34 H new ATOM 0 HE2 PHE A 95 3.475 -8.580 8.041 1.00 65.31 H new ATOM 0 HZ PHE A 95 4.071 -7.530 5.901 1.00 72.13 H new ATOM 1540 N VAL A 96 -2.306 -9.077 4.323 1.00 2.31 N ATOM 1541 CA VAL A 96 -2.544 -8.246 3.133 1.00 43.42 C ATOM 1542 C VAL A 96 -3.734 -7.287 3.342 1.00 60.12 C ATOM 1543 O VAL A 96 -3.622 -6.117 3.016 1.00 31.14 O ATOM 1544 CB VAL A 96 -2.793 -9.119 1.849 1.00 35.32 C ATOM 1545 CG1 VAL A 96 -3.193 -8.244 0.628 1.00 62.21 C ATOM 1546 CG2 VAL A 96 -1.565 -10.014 1.536 1.00 72.22 C ATOM 0 H VAL A 96 -2.324 -10.079 4.134 1.00 2.31 H new ATOM 0 HA VAL A 96 -1.639 -7.658 2.982 1.00 43.42 H new ATOM 0 HB VAL A 96 -3.636 -9.778 2.057 1.00 35.32 H new ATOM 0 HG11 VAL A 96 -3.357 -8.883 -0.240 1.00 62.21 H new ATOM 0 HG12 VAL A 96 -4.109 -7.699 0.855 1.00 62.21 H new ATOM 0 HG13 VAL A 96 -2.394 -7.535 0.411 1.00 62.21 H new ATOM 0 HG21 VAL A 96 -1.765 -10.607 0.643 1.00 72.22 H new ATOM 0 HG22 VAL A 96 -0.691 -9.386 1.366 1.00 72.22 H new ATOM 0 HG23 VAL A 96 -1.375 -10.679 2.378 1.00 72.22 H new ATOM 1556 N THR A 97 -4.837 -7.794 3.941 1.00 3.14 N ATOM 1557 CA THR A 97 -6.068 -7.010 4.151 1.00 42.01 C ATOM 1558 C THR A 97 -5.768 -5.763 5.004 1.00 42.05 C ATOM 1559 O THR A 97 -5.950 -4.624 4.529 1.00 12.02 O ATOM 1560 CB THR A 97 -7.200 -7.876 4.816 1.00 75.31 C ATOM 1561 OG1 THR A 97 -7.504 -9.002 3.979 1.00 60.14 O ATOM 1562 CG2 THR A 97 -8.502 -7.082 5.060 1.00 11.53 C ATOM 0 H THR A 97 -4.895 -8.751 4.289 1.00 3.14 H new ATOM 0 HA THR A 97 -6.431 -6.691 3.174 1.00 42.01 H new ATOM 0 HB THR A 97 -6.817 -8.196 5.785 1.00 75.31 H new ATOM 0 HG1 THR A 97 -6.772 -9.652 4.027 1.00 60.14 H new ATOM 0 HG21 THR A 97 -9.245 -7.734 5.521 1.00 11.53 H new ATOM 0 HG22 THR A 97 -8.297 -6.241 5.722 1.00 11.53 H new ATOM 0 HG23 THR A 97 -8.885 -6.710 4.110 1.00 11.53 H new ATOM 1570 N GLN A 98 -5.212 -6.012 6.218 1.00 63.50 N ATOM 1571 CA GLN A 98 -4.833 -4.959 7.180 1.00 4.21 C ATOM 1572 C GLN A 98 -3.912 -3.929 6.501 1.00 54.42 C ATOM 1573 O GLN A 98 -4.286 -2.769 6.348 1.00 2.24 O ATOM 1574 CB GLN A 98 -4.112 -5.593 8.406 1.00 1.35 C ATOM 1575 CG GLN A 98 -4.968 -6.595 9.216 1.00 24.33 C ATOM 1576 CD GLN A 98 -4.186 -7.304 10.336 1.00 12.21 C ATOM 1577 OE1 GLN A 98 -3.258 -6.743 10.914 1.00 51.33 O ATOM 1578 NE2 GLN A 98 -4.558 -8.542 10.656 1.00 71.41 N ATOM 0 H GLN A 98 -5.016 -6.955 6.553 1.00 63.50 H new ATOM 0 HA GLN A 98 -5.735 -4.452 7.523 1.00 4.21 H new ATOM 0 HB2 GLN A 98 -3.214 -6.103 8.058 1.00 1.35 H new ATOM 0 HB3 GLN A 98 -3.787 -4.794 9.072 1.00 1.35 H new ATOM 0 HG2 GLN A 98 -5.815 -6.067 9.653 1.00 24.33 H new ATOM 0 HG3 GLN A 98 -5.375 -7.344 8.537 1.00 24.33 H new ATOM 0 HE21 GLN A 98 -5.332 -8.986 10.161 1.00 71.41 H new ATOM 0 HE22 GLN A 98 -4.069 -9.046 11.396 1.00 71.41 H new ATOM 1587 N LEU A 99 -2.770 -4.434 5.999 1.00 63.20 N ATOM 1588 CA LEU A 99 -1.689 -3.633 5.394 1.00 61.44 C ATOM 1589 C LEU A 99 -2.203 -2.731 4.248 1.00 34.51 C ATOM 1590 O LEU A 99 -2.109 -1.506 4.322 1.00 24.22 O ATOM 1591 CB LEU A 99 -0.540 -4.573 4.886 1.00 23.12 C ATOM 1592 CG LEU A 99 0.576 -4.945 5.927 1.00 71.40 C ATOM 1593 CD1 LEU A 99 1.409 -3.706 6.292 1.00 55.43 C ATOM 1594 CD2 LEU A 99 0.012 -5.634 7.200 1.00 43.50 C ATOM 0 H LEU A 99 -2.568 -5.434 6.003 1.00 63.20 H new ATOM 0 HA LEU A 99 -1.296 -2.973 6.167 1.00 61.44 H new ATOM 0 HB2 LEU A 99 -0.991 -5.497 4.525 1.00 23.12 H new ATOM 0 HB3 LEU A 99 -0.062 -4.096 4.030 1.00 23.12 H new ATOM 0 HG LEU A 99 1.225 -5.677 5.446 1.00 71.40 H new ATOM 0 HD11 LEU A 99 2.177 -3.984 7.014 1.00 55.43 H new ATOM 0 HD12 LEU A 99 1.882 -3.308 5.394 1.00 55.43 H new ATOM 0 HD13 LEU A 99 0.760 -2.946 6.727 1.00 55.43 H new ATOM 0 HD21 LEU A 99 0.831 -5.867 7.881 1.00 43.50 H new ATOM 0 HD22 LEU A 99 -0.692 -4.965 7.694 1.00 43.50 H new ATOM 0 HD23 LEU A 99 -0.499 -6.555 6.919 1.00 43.50 H new ATOM 1606 N VAL A 100 -2.783 -3.357 3.223 1.00 61.14 N ATOM 1607 CA VAL A 100 -3.192 -2.673 1.984 1.00 21.21 C ATOM 1608 C VAL A 100 -4.312 -1.634 2.263 1.00 24.25 C ATOM 1609 O VAL A 100 -4.331 -0.551 1.657 1.00 64.24 O ATOM 1610 CB VAL A 100 -3.627 -3.717 0.874 1.00 25.34 C ATOM 1611 CG1 VAL A 100 -5.081 -4.213 1.056 1.00 63.22 C ATOM 1612 CG2 VAL A 100 -3.390 -3.167 -0.537 1.00 33.33 C ATOM 0 H VAL A 100 -2.985 -4.357 3.224 1.00 61.14 H new ATOM 0 HA VAL A 100 -2.330 -2.128 1.600 1.00 21.21 H new ATOM 0 HB VAL A 100 -2.987 -4.590 1.002 1.00 25.34 H new ATOM 0 HG11 VAL A 100 -5.324 -4.925 0.268 1.00 63.22 H new ATOM 0 HG12 VAL A 100 -5.181 -4.698 2.027 1.00 63.22 H new ATOM 0 HG13 VAL A 100 -5.764 -3.365 1.002 1.00 63.22 H new ATOM 0 HG21 VAL A 100 -3.699 -3.909 -1.273 1.00 33.33 H new ATOM 0 HG22 VAL A 100 -3.971 -2.255 -0.674 1.00 33.33 H new ATOM 0 HG23 VAL A 100 -2.331 -2.945 -0.668 1.00 33.33 H new ATOM 1622 N LYS A 101 -5.212 -1.975 3.225 1.00 20.15 N ATOM 1623 CA LYS A 101 -6.295 -1.083 3.661 1.00 60.12 C ATOM 1624 C LYS A 101 -5.715 0.169 4.340 1.00 25.34 C ATOM 1625 O LYS A 101 -6.132 1.286 4.022 1.00 4.41 O ATOM 1626 CB LYS A 101 -7.253 -1.843 4.608 1.00 5.15 C ATOM 1627 CG LYS A 101 -8.492 -1.049 5.069 1.00 61.33 C ATOM 1628 CD LYS A 101 -9.428 -1.892 5.968 1.00 53.23 C ATOM 1629 CE LYS A 101 -10.005 -3.127 5.247 1.00 11.30 C ATOM 1630 NZ LYS A 101 -10.942 -2.740 4.153 1.00 14.53 N ATOM 0 H LYS A 101 -5.198 -2.872 3.710 1.00 20.15 H new ATOM 0 HA LYS A 101 -6.864 -0.756 2.791 1.00 60.12 H new ATOM 0 HB2 LYS A 101 -7.589 -2.750 4.106 1.00 5.15 H new ATOM 0 HB3 LYS A 101 -6.693 -2.155 5.490 1.00 5.15 H new ATOM 0 HG2 LYS A 101 -8.170 -0.162 5.614 1.00 61.33 H new ATOM 0 HG3 LYS A 101 -9.045 -0.703 4.196 1.00 61.33 H new ATOM 0 HD2 LYS A 101 -8.878 -2.218 6.851 1.00 53.23 H new ATOM 0 HD3 LYS A 101 -10.249 -1.265 6.317 1.00 53.23 H new ATOM 0 HE2 LYS A 101 -9.190 -3.721 4.834 1.00 11.30 H new ATOM 0 HE3 LYS A 101 -10.527 -3.758 5.967 1.00 11.30 H new ATOM 0 HZ1 LYS A 101 -11.336 -3.597 3.714 1.00 14.53 H new ATOM 0 HZ2 LYS A 101 -11.715 -2.165 4.545 1.00 14.53 H new ATOM 0 HZ3 LYS A 101 -10.429 -2.188 3.436 1.00 14.53 H new ATOM 1644 N LYS A 102 -4.718 -0.035 5.241 1.00 62.53 N ATOM 1645 CA LYS A 102 -4.039 1.080 5.925 1.00 52.42 C ATOM 1646 C LYS A 102 -3.410 2.018 4.882 1.00 13.42 C ATOM 1647 O LYS A 102 -3.711 3.203 4.861 1.00 74.32 O ATOM 1648 CB LYS A 102 -2.929 0.596 6.911 1.00 53.11 C ATOM 1649 CG LYS A 102 -3.341 -0.389 8.041 1.00 14.11 C ATOM 1650 CD LYS A 102 -4.295 0.185 9.124 1.00 62.04 C ATOM 1651 CE LYS A 102 -5.783 0.212 8.719 1.00 20.01 C ATOM 1652 NZ LYS A 102 -6.663 0.442 9.897 1.00 23.13 N ATOM 0 H LYS A 102 -4.374 -0.958 5.504 1.00 62.53 H new ATOM 0 HA LYS A 102 -4.795 1.603 6.511 1.00 52.42 H new ATOM 0 HB2 LYS A 102 -2.143 0.121 6.323 1.00 53.11 H new ATOM 0 HB3 LYS A 102 -2.489 1.477 7.379 1.00 53.11 H new ATOM 0 HG2 LYS A 102 -3.819 -1.256 7.585 1.00 14.11 H new ATOM 0 HG3 LYS A 102 -2.436 -0.746 8.533 1.00 14.11 H new ATOM 0 HD2 LYS A 102 -4.190 -0.407 10.033 1.00 62.04 H new ATOM 0 HD3 LYS A 102 -3.979 1.200 9.367 1.00 62.04 H new ATOM 0 HE2 LYS A 102 -5.947 0.998 7.982 1.00 20.01 H new ATOM 0 HE3 LYS A 102 -6.049 -0.732 8.243 1.00 20.01 H new ATOM 0 HZ1 LYS A 102 -7.657 0.455 9.591 1.00 23.13 H new ATOM 0 HZ2 LYS A 102 -6.524 -0.322 10.589 1.00 23.13 H new ATOM 0 HZ3 LYS A 102 -6.424 1.354 10.336 1.00 23.13 H new ATOM 1666 N LEU A 103 -2.599 1.422 3.974 1.00 24.33 N ATOM 1667 CA LEU A 103 -1.841 2.146 2.929 1.00 14.03 C ATOM 1668 C LEU A 103 -2.769 3.000 2.048 1.00 53.42 C ATOM 1669 O LEU A 103 -2.445 4.149 1.724 1.00 4.42 O ATOM 1670 CB LEU A 103 -1.046 1.142 2.047 1.00 13.55 C ATOM 1671 CG LEU A 103 -0.061 1.760 0.995 1.00 64.33 C ATOM 1672 CD1 LEU A 103 0.929 2.742 1.668 1.00 44.22 C ATOM 1673 CD2 LEU A 103 0.686 0.653 0.204 1.00 21.13 C ATOM 0 H LEU A 103 -2.453 0.413 3.948 1.00 24.33 H new ATOM 0 HA LEU A 103 -1.143 2.816 3.431 1.00 14.03 H new ATOM 0 HB2 LEU A 103 -0.475 0.488 2.706 1.00 13.55 H new ATOM 0 HB3 LEU A 103 -1.761 0.514 1.516 1.00 13.55 H new ATOM 0 HG LEU A 103 -0.653 2.329 0.278 1.00 64.33 H new ATOM 0 HD11 LEU A 103 1.600 3.155 0.915 1.00 44.22 H new ATOM 0 HD12 LEU A 103 0.373 3.551 2.142 1.00 44.22 H new ATOM 0 HD13 LEU A 103 1.512 2.212 2.421 1.00 44.22 H new ATOM 0 HD21 LEU A 103 1.361 1.114 -0.517 1.00 21.13 H new ATOM 0 HD22 LEU A 103 1.260 0.036 0.895 1.00 21.13 H new ATOM 0 HD23 LEU A 103 -0.038 0.031 -0.323 1.00 21.13 H new ATOM 1685 N LEU A 104 -3.933 2.421 1.685 1.00 70.15 N ATOM 1686 CA LEU A 104 -4.959 3.116 0.882 1.00 63.23 C ATOM 1687 C LEU A 104 -5.556 4.318 1.658 1.00 55.14 C ATOM 1688 O LEU A 104 -5.630 5.432 1.125 1.00 40.51 O ATOM 1689 CB LEU A 104 -6.077 2.129 0.452 1.00 3.31 C ATOM 1690 CG LEU A 104 -7.265 2.750 -0.354 1.00 42.41 C ATOM 1691 CD1 LEU A 104 -6.765 3.504 -1.608 1.00 63.52 C ATOM 1692 CD2 LEU A 104 -8.313 1.671 -0.717 1.00 33.35 C ATOM 0 H LEU A 104 -4.186 1.466 1.938 1.00 70.15 H new ATOM 0 HA LEU A 104 -4.478 3.504 -0.016 1.00 63.23 H new ATOM 0 HB2 LEU A 104 -5.627 1.341 -0.152 1.00 3.31 H new ATOM 0 HB3 LEU A 104 -6.479 1.654 1.347 1.00 3.31 H new ATOM 0 HG LEU A 104 -7.755 3.483 0.287 1.00 42.41 H new ATOM 0 HD11 LEU A 104 -7.616 3.923 -2.144 1.00 63.52 H new ATOM 0 HD12 LEU A 104 -6.095 4.309 -1.306 1.00 63.52 H new ATOM 0 HD13 LEU A 104 -6.230 2.813 -2.259 1.00 63.52 H new ATOM 0 HD21 LEU A 104 -9.128 2.129 -1.277 1.00 33.35 H new ATOM 0 HD22 LEU A 104 -7.844 0.898 -1.326 1.00 33.35 H new ATOM 0 HD23 LEU A 104 -8.706 1.224 0.196 1.00 33.35 H new ATOM 1704 N ILE A 105 -5.961 4.073 2.922 1.00 72.55 N ATOM 1705 CA ILE A 105 -6.570 5.108 3.794 1.00 25.15 C ATOM 1706 C ILE A 105 -5.548 6.243 4.122 1.00 12.40 C ATOM 1707 O ILE A 105 -5.942 7.400 4.299 1.00 51.10 O ATOM 1708 CB ILE A 105 -7.176 4.449 5.106 1.00 23.22 C ATOM 1709 CG1 ILE A 105 -8.347 3.471 4.734 1.00 12.53 C ATOM 1710 CG2 ILE A 105 -7.661 5.510 6.127 1.00 14.21 C ATOM 1711 CD1 ILE A 105 -8.956 2.710 5.906 1.00 44.12 C ATOM 0 H ILE A 105 -5.877 3.159 3.368 1.00 72.55 H new ATOM 0 HA ILE A 105 -7.394 5.573 3.253 1.00 25.15 H new ATOM 0 HB ILE A 105 -6.375 3.885 5.584 1.00 23.22 H new ATOM 0 HG12 ILE A 105 -9.135 4.043 4.245 1.00 12.53 H new ATOM 0 HG13 ILE A 105 -7.978 2.749 4.005 1.00 12.53 H new ATOM 0 HG21 ILE A 105 -8.067 5.010 7.006 1.00 14.21 H new ATOM 0 HG22 ILE A 105 -6.822 6.140 6.423 1.00 14.21 H new ATOM 0 HG23 ILE A 105 -8.435 6.127 5.671 1.00 14.21 H new ATOM 0 HD11 ILE A 105 -9.755 2.063 5.544 1.00 44.12 H new ATOM 0 HD12 ILE A 105 -8.187 2.104 6.385 1.00 44.12 H new ATOM 0 HD13 ILE A 105 -9.362 3.418 6.628 1.00 44.12 H new ATOM 1723 N ILE A 106 -4.240 5.898 4.141 1.00 34.35 N ATOM 1724 CA ILE A 106 -3.127 6.856 4.359 1.00 34.43 C ATOM 1725 C ILE A 106 -3.081 7.899 3.207 1.00 64.44 C ATOM 1726 O ILE A 106 -3.192 9.109 3.449 1.00 45.42 O ATOM 1727 CB ILE A 106 -1.733 6.096 4.492 1.00 32.44 C ATOM 1728 CG1 ILE A 106 -1.647 5.301 5.840 1.00 44.34 C ATOM 1729 CG2 ILE A 106 -0.515 7.043 4.341 1.00 70.54 C ATOM 1730 CD1 ILE A 106 -0.433 4.387 5.965 1.00 21.54 C ATOM 0 H ILE A 106 -3.923 4.938 4.004 1.00 34.35 H new ATOM 0 HA ILE A 106 -3.307 7.382 5.296 1.00 34.43 H new ATOM 0 HB ILE A 106 -1.691 5.388 3.664 1.00 32.44 H new ATOM 0 HG12 ILE A 106 -1.635 6.013 6.666 1.00 44.34 H new ATOM 0 HG13 ILE A 106 -2.550 4.700 5.950 1.00 44.34 H new ATOM 0 HG21 ILE A 106 0.406 6.469 4.441 1.00 70.54 H new ATOM 0 HG22 ILE A 106 -0.543 7.518 3.360 1.00 70.54 H new ATOM 0 HG23 ILE A 106 -0.551 7.809 5.116 1.00 70.54 H new ATOM 0 HD11 ILE A 106 -0.458 3.879 6.929 1.00 21.54 H new ATOM 0 HD12 ILE A 106 -0.450 3.648 5.164 1.00 21.54 H new ATOM 0 HD13 ILE A 106 0.478 4.980 5.891 1.00 21.54 H new ATOM 1742 N ILE A 107 -2.982 7.401 1.951 1.00 42.22 N ATOM 1743 CA ILE A 107 -2.782 8.255 0.747 1.00 22.21 C ATOM 1744 C ILE A 107 -4.084 8.954 0.278 1.00 14.23 C ATOM 1745 O ILE A 107 -4.064 9.741 -0.677 1.00 73.15 O ATOM 1746 CB ILE A 107 -2.076 7.440 -0.426 1.00 74.44 C ATOM 1747 CG1 ILE A 107 -2.854 6.124 -0.839 1.00 42.14 C ATOM 1748 CG2 ILE A 107 -0.606 7.124 -0.027 1.00 61.11 C ATOM 1749 CD1 ILE A 107 -4.064 6.305 -1.764 1.00 14.24 C ATOM 0 H ILE A 107 -3.038 6.404 1.741 1.00 42.22 H new ATOM 0 HA ILE A 107 -2.108 9.060 1.040 1.00 22.21 H new ATOM 0 HB ILE A 107 -2.089 8.073 -1.313 1.00 74.44 H new ATOM 0 HG12 ILE A 107 -2.150 5.450 -1.327 1.00 42.14 H new ATOM 0 HG13 ILE A 107 -3.192 5.628 0.071 1.00 42.14 H new ATOM 0 HG21 ILE A 107 -0.123 6.566 -0.829 1.00 61.11 H new ATOM 0 HG22 ILE A 107 -0.067 8.056 0.143 1.00 61.11 H new ATOM 0 HG23 ILE A 107 -0.597 6.528 0.886 1.00 61.11 H new ATOM 0 HD11 ILE A 107 -4.510 5.333 -1.974 1.00 14.24 H new ATOM 0 HD12 ILE A 107 -4.800 6.946 -1.279 1.00 14.24 H new ATOM 0 HD13 ILE A 107 -3.742 6.765 -2.698 1.00 14.24 H new ATOM 1761 N SER A 108 -5.202 8.669 0.969 1.00 14.52 N ATOM 1762 CA SER A 108 -6.521 9.286 0.706 1.00 1.45 C ATOM 1763 C SER A 108 -6.921 10.207 1.882 1.00 43.13 C ATOM 1764 O SER A 108 -6.500 9.978 3.016 1.00 11.42 O ATOM 1765 CB SER A 108 -7.585 8.174 0.511 1.00 55.43 C ATOM 1766 OG SER A 108 -7.228 7.271 -0.529 1.00 32.41 O ATOM 0 H SER A 108 -5.219 7.996 1.735 1.00 14.52 H new ATOM 0 HA SER A 108 -6.462 9.887 -0.201 1.00 1.45 H new ATOM 0 HB2 SER A 108 -7.708 7.623 1.443 1.00 55.43 H new ATOM 0 HB3 SER A 108 -8.548 8.630 0.281 1.00 55.43 H new ATOM 0 HG SER A 108 -6.681 6.546 -0.160 1.00 32.41 H new ATOM 1772 N ARG A 109 -7.719 11.257 1.598 1.00 31.30 N ATOM 1773 CA ARG A 109 -8.339 12.102 2.640 1.00 2.13 C ATOM 1774 C ARG A 109 -9.876 12.152 2.422 1.00 42.41 C ATOM 1775 O ARG A 109 -10.362 12.812 1.490 1.00 50.31 O ATOM 1776 CB ARG A 109 -7.696 13.529 2.700 1.00 74.44 C ATOM 1777 CG ARG A 109 -7.710 14.355 1.386 1.00 54.52 C ATOM 1778 CD ARG A 109 -7.357 15.832 1.630 1.00 64.41 C ATOM 1779 NE ARG A 109 -7.258 16.616 0.384 1.00 3.42 N ATOM 1780 CZ ARG A 109 -7.817 17.823 0.180 1.00 71.02 C ATOM 1781 NH1 ARG A 109 -8.546 18.412 1.128 1.00 54.24 N ATOM 1782 NH2 ARG A 109 -7.590 18.462 -0.961 1.00 31.23 N ATOM 0 H ARG A 109 -7.951 11.542 0.646 1.00 31.30 H new ATOM 0 HA ARG A 109 -8.146 11.653 3.615 1.00 2.13 H new ATOM 0 HB2 ARG A 109 -8.213 14.103 3.469 1.00 74.44 H new ATOM 0 HB3 ARG A 109 -6.661 13.423 3.024 1.00 74.44 H new ATOM 0 HG2 ARG A 109 -7.000 13.925 0.680 1.00 54.52 H new ATOM 0 HG3 ARG A 109 -8.696 14.289 0.927 1.00 54.52 H new ATOM 0 HD2 ARG A 109 -8.114 16.279 2.274 1.00 64.41 H new ATOM 0 HD3 ARG A 109 -6.409 15.889 2.165 1.00 64.41 H new ATOM 0 HE ARG A 109 -6.723 16.211 -0.384 1.00 3.42 H new ATOM 0 HH11 ARG A 109 -8.687 17.948 2.025 1.00 54.24 H new ATOM 0 HH12 ARG A 109 -8.962 19.327 0.956 1.00 54.24 H new ATOM 0 HH21 ARG A 109 -6.996 18.038 -1.674 1.00 31.23 H new ATOM 0 HH22 ARG A 109 -8.009 19.377 -1.125 1.00 31.23 H new ATOM 1796 N PRO A 110 -10.663 11.357 3.231 1.00 32.13 N ATOM 1797 CA PRO A 110 -12.146 11.446 3.276 1.00 20.15 C ATOM 1798 C PRO A 110 -12.649 12.862 3.656 1.00 25.03 C ATOM 1799 O PRO A 110 -11.908 13.662 4.254 1.00 33.42 O ATOM 1800 CB PRO A 110 -12.540 10.396 4.357 1.00 30.13 C ATOM 1801 CG PRO A 110 -11.393 9.429 4.381 1.00 4.00 C ATOM 1802 CD PRO A 110 -10.167 10.278 4.132 1.00 32.54 C ATOM 0 HA PRO A 110 -12.596 11.254 2.302 1.00 20.15 H new ATOM 0 HB2 PRO A 110 -12.684 10.864 5.331 1.00 30.13 H new ATOM 0 HB3 PRO A 110 -13.475 9.896 4.102 1.00 30.13 H new ATOM 0 HG2 PRO A 110 -11.330 8.914 5.340 1.00 4.00 H new ATOM 0 HG3 PRO A 110 -11.506 8.662 3.614 1.00 4.00 H new ATOM 0 HD2 PRO A 110 -9.766 10.684 5.060 1.00 32.54 H new ATOM 0 HD3 PRO A 110 -9.369 9.701 3.665 1.00 32.54 H new ATOM 1810 N ALA A 111 -13.909 13.145 3.264 1.00 33.54 N ATOM 1811 CA ALA A 111 -14.632 14.409 3.547 1.00 32.13 C ATOM 1812 C ALA A 111 -14.078 15.591 2.722 1.00 24.31 C ATOM 1813 O ALA A 111 -14.352 16.758 3.046 1.00 2.22 O ATOM 1814 CB ALA A 111 -14.691 14.718 5.070 1.00 23.21 C ATOM 0 H ALA A 111 -14.470 12.484 2.727 1.00 33.54 H new ATOM 0 HA ALA A 111 -15.663 14.266 3.223 1.00 32.13 H new ATOM 0 HB1 ALA A 111 -15.229 15.652 5.231 1.00 23.21 H new ATOM 0 HB2 ALA A 111 -15.207 13.908 5.586 1.00 23.21 H new ATOM 0 HB3 ALA A 111 -13.678 14.811 5.462 1.00 23.21 H new ATOM 1820 N ARG A 112 -13.353 15.261 1.622 1.00 20.31 N ATOM 1821 CA ARG A 112 -12.781 16.239 0.668 1.00 22.31 C ATOM 1822 C ARG A 112 -11.799 17.199 1.391 1.00 12.12 C ATOM 1823 O ARG A 112 -12.062 18.421 1.465 1.00 42.43 O ATOM 1824 CB ARG A 112 -13.926 16.982 -0.113 1.00 75.31 C ATOM 1825 CG ARG A 112 -14.809 16.044 -0.974 1.00 32.02 C ATOM 1826 CD ARG A 112 -14.060 15.449 -2.188 1.00 41.44 C ATOM 1827 NE ARG A 112 -14.812 14.340 -2.815 1.00 51.45 N ATOM 1828 CZ ARG A 112 -15.458 14.385 -3.991 1.00 33.43 C ATOM 1829 NH1 ARG A 112 -15.485 15.498 -4.718 1.00 52.30 N ATOM 1830 NH2 ARG A 112 -16.064 13.290 -4.446 1.00 35.24 N ATOM 1831 OXT ARG A 112 -10.768 16.710 1.909 1.00 36.92 O ATOM 0 H ARG A 112 -13.148 14.294 1.372 1.00 20.31 H new ATOM 0 HA ARG A 112 -12.192 15.712 -0.082 1.00 22.31 H new ATOM 0 HB2 ARG A 112 -14.560 17.506 0.602 1.00 75.31 H new ATOM 0 HB3 ARG A 112 -13.480 17.739 -0.758 1.00 75.31 H new ATOM 0 HG2 ARG A 112 -15.180 15.231 -0.350 1.00 32.02 H new ATOM 0 HG3 ARG A 112 -15.679 16.598 -1.327 1.00 32.02 H new ATOM 0 HD2 ARG A 112 -13.887 16.232 -2.926 1.00 41.44 H new ATOM 0 HD3 ARG A 112 -13.082 15.089 -1.869 1.00 41.44 H new ATOM 0 HE ARG A 112 -14.843 13.457 -2.305 1.00 51.45 H new ATOM 0 HH11 ARG A 112 -15.010 16.337 -4.385 1.00 52.30 H new ATOM 0 HH12 ARG A 112 -15.981 15.513 -5.609 1.00 52.30 H new ATOM 0 HH21 ARG A 112 -16.035 12.428 -3.902 1.00 35.24 H new ATOM 0 HH22 ARG A 112 -16.558 13.314 -5.338 1.00 35.24 H new TER 1845 ARG A 112