USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 527 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 13 LYS NZ :NH3+ 173:sc= 1.59! (180deg=0.6) USER MOD Set 1.2: A 15 ASN : amide:sc= -1.33! C(o=0.54!,f=-21!) USER MOD Set 1.3: A 21 THR OG1 : rot -103:sc= 0.283! USER MOD Set 2.1: A 6 THR OG1 : rot -78:sc= 2.08 USER MOD Set 2.2: A 8 LYS NZ :NH3+ -170:sc= 1.28! (180deg=0.719) USER MOD Single : A 1 THR N :NH3+ -126:sc= 0.622 (180deg=0.0015) USER MOD Single : A 1 THR OG1 : rot 68:sc= 1.36 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 172:sc= -1.4 USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.08) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 0.675! (180deg=-0.345!) USER MOD Single : A 31 THR OG1 : rot -120:sc= -2.22 USER MOD Single : A 32 ASN : amide:sc= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.48) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -94:sc= 0.976 USER MOD Single : A 44 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 46 THR OG1 : rot -95:sc= 1.15 USER MOD Single : A 48 MET CE :methyl -171:sc= 0 (180deg=-0.143) USER MOD Single : A 49 THR OG1 : rot -60:sc= 0.452 USER MOD Single : A 51 THR OG1 : rot -173:sc= -1.56! USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 1.69 (180deg=1.51) USER MOD Single : A 54 THR OG1 : rot -27:sc= 0.814 USER MOD Single : A 55 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.47) USER MOD Single : A 58 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.014) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 64 SER OG : rot -56:sc= 0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 54.696 55.670 -34.480 1.00 0.00 N ATOM 2 CA THR A 1 53.262 55.576 -34.906 1.00 0.00 C ATOM 3 C THR A 1 53.178 54.957 -36.310 1.00 0.00 C ATOM 4 O THR A 1 54.187 54.810 -36.978 1.00 0.00 O ATOM 5 CB THR A 1 52.638 56.984 -34.933 1.00 0.00 C ATOM 6 OG1 THR A 1 53.665 57.966 -34.932 1.00 0.00 O ATOM 7 CG2 THR A 1 51.753 57.184 -33.703 1.00 0.00 C ATOM 0 H1 THR A 1 54.816 55.202 -33.559 1.00 0.00 H new ATOM 0 H2 THR A 1 55.299 55.203 -35.187 1.00 0.00 H new ATOM 0 H3 THR A 1 54.969 56.670 -34.398 1.00 0.00 H new ATOM 0 HA THR A 1 52.719 54.949 -34.199 1.00 0.00 H new ATOM 0 HB THR A 1 52.036 57.085 -35.836 1.00 0.00 H new ATOM 0 HG1 THR A 1 54.156 57.927 -35.779 1.00 0.00 H new ATOM 0 HG21 THR A 1 51.315 58.182 -33.728 1.00 0.00 H new ATOM 0 HG22 THR A 1 50.958 56.438 -33.702 1.00 0.00 H new ATOM 0 HG23 THR A 1 52.354 57.075 -32.800 1.00 0.00 H new ATOM 17 N PRO A 2 51.974 54.619 -36.724 1.00 0.00 N ATOM 18 CA PRO A 2 51.732 54.024 -38.055 1.00 0.00 C ATOM 19 C PRO A 2 51.762 55.121 -39.137 1.00 0.00 C ATOM 20 O PRO A 2 50.810 55.307 -39.879 1.00 0.00 O ATOM 21 CB PRO A 2 50.333 53.408 -37.920 1.00 0.00 C ATOM 22 CG PRO A 2 49.635 54.158 -36.760 1.00 0.00 C ATOM 23 CD PRO A 2 50.749 54.794 -35.910 1.00 0.00 C ATOM 0 HA PRO A 2 52.482 53.290 -38.350 1.00 0.00 H new ATOM 0 HB2 PRO A 2 49.770 53.516 -38.847 1.00 0.00 H new ATOM 0 HB3 PRO A 2 50.397 52.341 -37.709 1.00 0.00 H new ATOM 0 HG2 PRO A 2 48.958 54.921 -37.144 1.00 0.00 H new ATOM 0 HG3 PRO A 2 49.035 53.472 -36.161 1.00 0.00 H new ATOM 0 HD2 PRO A 2 50.548 55.847 -35.715 1.00 0.00 H new ATOM 0 HD3 PRO A 2 50.841 54.302 -34.942 1.00 0.00 H new ATOM 31 N ASP A 3 52.849 55.854 -39.225 1.00 0.00 N ATOM 32 CA ASP A 3 52.944 56.942 -40.245 1.00 0.00 C ATOM 33 C ASP A 3 53.491 56.371 -41.571 1.00 0.00 C ATOM 34 O ASP A 3 53.223 55.230 -41.908 1.00 0.00 O ATOM 35 CB ASP A 3 53.852 58.062 -39.717 1.00 0.00 C ATOM 36 CG ASP A 3 53.536 58.349 -38.244 1.00 0.00 C ATOM 37 OD1 ASP A 3 52.586 59.070 -37.986 1.00 0.00 O ATOM 38 OD2 ASP A 3 54.250 57.844 -37.394 1.00 0.00 O ATOM 0 H ASP A 3 53.672 55.743 -38.633 1.00 0.00 H new ATOM 0 HA ASP A 3 51.953 57.356 -40.433 1.00 0.00 H new ATOM 0 HB2 ASP A 3 54.898 57.773 -39.823 1.00 0.00 H new ATOM 0 HB3 ASP A 3 53.710 58.966 -40.310 1.00 0.00 H new ATOM 43 N CYS A 4 54.237 57.143 -42.344 1.00 0.00 N ATOM 44 CA CYS A 4 54.756 56.595 -43.641 1.00 0.00 C ATOM 45 C CYS A 4 55.784 57.528 -44.309 1.00 0.00 C ATOM 46 O CYS A 4 56.973 57.343 -44.152 1.00 0.00 O ATOM 47 CB CYS A 4 53.585 56.371 -44.595 1.00 0.00 C ATOM 48 SG CYS A 4 54.204 55.890 -46.225 1.00 0.00 S ATOM 0 H CYS A 4 54.501 58.106 -42.135 1.00 0.00 H new ATOM 0 HA CYS A 4 55.264 55.656 -43.420 1.00 0.00 H new ATOM 0 HB2 CYS A 4 52.928 55.595 -44.202 1.00 0.00 H new ATOM 0 HB3 CYS A 4 52.991 57.281 -44.676 1.00 0.00 H new ATOM 53 N VAL A 5 55.344 58.490 -45.100 1.00 0.00 N ATOM 54 CA VAL A 5 56.319 59.376 -45.829 1.00 0.00 C ATOM 55 C VAL A 5 55.913 60.863 -45.757 1.00 0.00 C ATOM 56 O VAL A 5 55.116 61.273 -44.932 1.00 0.00 O ATOM 57 CB VAL A 5 56.353 58.943 -47.307 1.00 0.00 C ATOM 58 CG1 VAL A 5 56.724 57.462 -47.415 1.00 0.00 C ATOM 59 CG2 VAL A 5 54.971 59.171 -47.941 1.00 0.00 C ATOM 0 H VAL A 5 54.360 58.697 -45.270 1.00 0.00 H new ATOM 0 HA VAL A 5 57.296 59.272 -45.358 1.00 0.00 H new ATOM 0 HB VAL A 5 57.101 59.536 -47.832 1.00 0.00 H new ATOM 0 HG11 VAL A 5 56.745 57.168 -48.464 1.00 0.00 H new ATOM 0 HG12 VAL A 5 57.707 57.300 -46.973 1.00 0.00 H new ATOM 0 HG13 VAL A 5 55.985 56.862 -46.885 1.00 0.00 H new ATOM 0 HG21 VAL A 5 54.995 58.865 -48.987 1.00 0.00 H new ATOM 0 HG22 VAL A 5 54.224 58.582 -47.408 1.00 0.00 H new ATOM 0 HG23 VAL A 5 54.712 60.228 -47.879 1.00 0.00 H new ATOM 69 N THR A 6 56.472 61.669 -46.636 1.00 0.00 N ATOM 70 CA THR A 6 56.157 63.121 -46.678 1.00 0.00 C ATOM 71 C THR A 6 55.121 63.389 -47.773 1.00 0.00 C ATOM 72 O THR A 6 54.633 62.468 -48.405 1.00 0.00 O ATOM 73 CB THR A 6 57.440 63.902 -46.956 1.00 0.00 C ATOM 74 OG1 THR A 6 58.064 63.459 -48.166 1.00 0.00 O ATOM 75 CG2 THR A 6 58.388 63.712 -45.778 1.00 0.00 C ATOM 0 H THR A 6 57.147 61.365 -47.337 1.00 0.00 H new ATOM 0 HA THR A 6 55.744 63.441 -45.721 1.00 0.00 H new ATOM 0 HB THR A 6 57.197 64.957 -47.079 1.00 0.00 H new ATOM 0 HG1 THR A 6 58.537 62.616 -48.001 1.00 0.00 H new ATOM 0 HG21 THR A 6 59.310 64.264 -45.960 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.917 64.084 -44.868 1.00 0.00 H new ATOM 0 HG23 THR A 6 58.616 62.652 -45.662 1.00 0.00 H new ATOM 83 N GLY A 7 54.753 64.632 -47.990 1.00 0.00 N ATOM 84 CA GLY A 7 53.719 64.921 -49.027 1.00 0.00 C ATOM 85 C GLY A 7 53.990 66.224 -49.787 1.00 0.00 C ATOM 86 O GLY A 7 53.229 67.169 -49.696 1.00 0.00 O ATOM 0 H GLY A 7 55.121 65.447 -47.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 53.680 64.094 -49.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 52.740 64.980 -48.551 1.00 0.00 H new ATOM 90 N LYS A 8 55.030 66.251 -50.581 1.00 0.00 N ATOM 91 CA LYS A 8 55.315 67.448 -51.429 1.00 0.00 C ATOM 92 C LYS A 8 54.256 67.428 -52.550 1.00 0.00 C ATOM 93 O LYS A 8 53.145 66.994 -52.316 1.00 0.00 O ATOM 94 CB LYS A 8 56.737 67.368 -52.025 1.00 0.00 C ATOM 95 CG LYS A 8 57.776 67.227 -50.913 1.00 0.00 C ATOM 96 CD LYS A 8 57.950 65.759 -50.557 1.00 0.00 C ATOM 97 CE LYS A 8 59.418 65.459 -50.269 1.00 0.00 C ATOM 98 NZ LYS A 8 59.545 64.017 -49.928 1.00 0.00 N ATOM 0 H LYS A 8 55.700 65.488 -50.679 1.00 0.00 H new ATOM 0 HA LYS A 8 55.269 68.369 -50.849 1.00 0.00 H new ATOM 0 HB2 LYS A 8 56.806 66.519 -52.705 1.00 0.00 H new ATOM 0 HB3 LYS A 8 56.943 68.263 -52.612 1.00 0.00 H new ATOM 0 HG2 LYS A 8 58.728 67.648 -51.236 1.00 0.00 H new ATOM 0 HG3 LYS A 8 57.461 67.789 -50.034 1.00 0.00 H new ATOM 0 HD2 LYS A 8 57.343 65.514 -49.685 1.00 0.00 H new ATOM 0 HD3 LYS A 8 57.597 65.134 -51.377 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.031 65.699 -51.138 1.00 0.00 H new ATOM 0 HE3 LYS A 8 59.777 66.076 -49.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 60.501 63.829 -49.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 58.844 63.769 -49.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 59.378 63.443 -50.779 1.00 0.00 H new ATOM 112 N VAL A 9 54.560 67.857 -53.757 1.00 0.00 N ATOM 113 CA VAL A 9 53.512 67.809 -54.842 1.00 0.00 C ATOM 114 C VAL A 9 54.137 67.821 -56.239 1.00 0.00 C ATOM 115 O VAL A 9 53.956 68.754 -56.994 1.00 0.00 O ATOM 116 CB VAL A 9 52.614 69.027 -54.717 1.00 0.00 C ATOM 117 CG1 VAL A 9 51.561 68.990 -55.827 1.00 0.00 C ATOM 118 CG2 VAL A 9 51.946 69.017 -53.347 1.00 0.00 C ATOM 0 H VAL A 9 55.467 68.231 -54.037 1.00 0.00 H new ATOM 0 HA VAL A 9 52.950 66.883 -54.719 1.00 0.00 H new ATOM 0 HB VAL A 9 53.201 69.940 -54.817 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.913 69.862 -55.743 1.00 0.00 H new ATOM 0 HG12 VAL A 9 52.056 68.998 -56.798 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.964 68.083 -55.732 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.300 69.889 -53.251 1.00 0.00 H new ATOM 0 HG22 VAL A 9 51.350 68.110 -53.239 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.710 69.044 -52.570 1.00 0.00 H new ATOM 128 N GLU A 10 54.836 66.807 -56.640 1.00 0.00 N ATOM 129 CA GLU A 10 55.412 66.877 -58.002 1.00 0.00 C ATOM 130 C GLU A 10 54.569 66.056 -58.973 1.00 0.00 C ATOM 131 O GLU A 10 55.086 65.148 -59.603 1.00 0.00 O ATOM 132 CB GLU A 10 56.870 66.381 -57.971 1.00 0.00 C ATOM 133 CG GLU A 10 57.848 67.568 -57.858 1.00 0.00 C ATOM 134 CD GLU A 10 57.244 68.703 -57.022 1.00 0.00 C ATOM 135 OE1 GLU A 10 57.164 68.548 -55.811 1.00 0.00 O ATOM 136 OE2 GLU A 10 56.873 69.709 -57.612 1.00 0.00 O ATOM 0 H GLU A 10 55.030 65.960 -56.106 1.00 0.00 H new ATOM 0 HA GLU A 10 55.406 67.911 -58.348 1.00 0.00 H new ATOM 0 HB2 GLU A 10 57.012 65.705 -57.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 57.085 65.811 -58.875 1.00 0.00 H new ATOM 0 HG2 GLU A 10 58.780 67.233 -57.403 1.00 0.00 H new ATOM 0 HG3 GLU A 10 58.094 67.937 -58.854 1.00 0.00 H new ATOM 143 N TYR A 11 53.283 66.394 -59.093 1.00 0.00 N ATOM 144 CA TYR A 11 52.335 65.663 -60.046 1.00 0.00 C ATOM 145 C TYR A 11 51.092 65.131 -59.293 1.00 0.00 C ATOM 146 O TYR A 11 51.155 64.130 -58.604 1.00 0.00 O ATOM 147 CB TYR A 11 53.080 64.489 -60.725 1.00 0.00 C ATOM 148 CG TYR A 11 52.194 63.648 -61.621 1.00 0.00 C ATOM 149 CD1 TYR A 11 51.298 62.722 -61.071 1.00 0.00 C ATOM 150 CD2 TYR A 11 52.314 63.759 -63.009 1.00 0.00 C ATOM 151 CE1 TYR A 11 50.520 61.918 -61.907 1.00 0.00 C ATOM 152 CE2 TYR A 11 51.540 62.948 -63.846 1.00 0.00 C ATOM 153 CZ TYR A 11 50.642 62.029 -63.294 1.00 0.00 C ATOM 154 OH TYR A 11 49.882 61.226 -64.118 1.00 0.00 O ATOM 0 H TYR A 11 52.845 67.151 -58.568 1.00 0.00 H new ATOM 0 HA TYR A 11 51.998 66.370 -60.804 1.00 0.00 H new ATOM 0 HB2 TYR A 11 53.907 64.886 -61.314 1.00 0.00 H new ATOM 0 HB3 TYR A 11 53.515 63.851 -59.955 1.00 0.00 H new ATOM 0 HD1 TYR A 11 51.209 62.630 -59.999 1.00 0.00 H new ATOM 0 HD2 TYR A 11 53.005 64.471 -63.436 1.00 0.00 H new ATOM 0 HE1 TYR A 11 49.824 61.210 -61.481 1.00 0.00 H new ATOM 0 HE2 TYR A 11 51.636 63.032 -64.918 1.00 0.00 H new ATOM 0 HH TYR A 11 50.087 61.431 -65.054 1.00 0.00 H new ATOM 164 N THR A 12 49.956 65.791 -59.430 1.00 0.00 N ATOM 165 CA THR A 12 48.703 65.308 -58.744 1.00 0.00 C ATOM 166 C THR A 12 47.644 64.974 -59.809 1.00 0.00 C ATOM 167 O THR A 12 46.884 65.830 -60.230 1.00 0.00 O ATOM 168 CB THR A 12 48.183 66.430 -57.871 1.00 0.00 C ATOM 169 OG1 THR A 12 49.025 66.579 -56.737 1.00 0.00 O ATOM 170 CG2 THR A 12 46.763 66.118 -57.421 1.00 0.00 C ATOM 0 H THR A 12 49.843 66.639 -59.985 1.00 0.00 H new ATOM 0 HA THR A 12 48.914 64.422 -58.145 1.00 0.00 H new ATOM 0 HB THR A 12 48.179 67.358 -58.442 1.00 0.00 H new ATOM 0 HG1 THR A 12 48.689 67.307 -56.173 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.394 66.929 -56.793 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.119 66.014 -58.294 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.757 65.188 -56.853 1.00 0.00 H new ATOM 178 N LYS A 13 47.598 63.745 -60.251 1.00 0.00 N ATOM 179 CA LYS A 13 46.609 63.344 -61.304 1.00 0.00 C ATOM 180 C LYS A 13 45.174 63.330 -60.751 1.00 0.00 C ATOM 181 O LYS A 13 44.715 62.335 -60.205 1.00 0.00 O ATOM 182 CB LYS A 13 46.993 61.954 -61.829 1.00 0.00 C ATOM 183 CG LYS A 13 46.022 61.514 -62.927 1.00 0.00 C ATOM 184 CD LYS A 13 45.709 60.023 -62.753 1.00 0.00 C ATOM 185 CE LYS A 13 44.238 59.843 -62.379 1.00 0.00 C ATOM 186 NZ LYS A 13 44.058 60.085 -60.918 1.00 0.00 N ATOM 0 H LYS A 13 48.207 62.993 -59.927 1.00 0.00 H new ATOM 0 HA LYS A 13 46.635 64.073 -62.114 1.00 0.00 H new ATOM 0 HB2 LYS A 13 48.010 61.974 -62.220 1.00 0.00 H new ATOM 0 HB3 LYS A 13 46.980 61.233 -61.012 1.00 0.00 H new ATOM 0 HG2 LYS A 13 45.104 62.099 -62.874 1.00 0.00 H new ATOM 0 HG3 LYS A 13 46.459 61.694 -63.909 1.00 0.00 H new ATOM 0 HD2 LYS A 13 45.927 59.486 -63.676 1.00 0.00 H new ATOM 0 HD3 LYS A 13 46.346 59.596 -61.978 1.00 0.00 H new ATOM 0 HE2 LYS A 13 43.620 60.535 -62.951 1.00 0.00 H new ATOM 0 HE3 LYS A 13 43.908 58.836 -62.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 43.044 60.079 -60.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 44.540 59.336 -60.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 44.465 61.008 -60.666 1.00 0.00 H new ATOM 200 N TYR A 14 44.452 64.416 -60.918 1.00 0.00 N ATOM 201 CA TYR A 14 43.039 64.462 -60.429 1.00 0.00 C ATOM 202 C TYR A 14 42.100 63.861 -61.481 1.00 0.00 C ATOM 203 O TYR A 14 42.325 63.971 -62.680 1.00 0.00 O ATOM 204 CB TYR A 14 42.614 65.917 -60.109 1.00 0.00 C ATOM 205 CG TYR A 14 41.552 66.404 -61.084 1.00 0.00 C ATOM 206 CD1 TYR A 14 40.197 66.147 -60.831 1.00 0.00 C ATOM 207 CD2 TYR A 14 41.921 67.099 -62.238 1.00 0.00 C ATOM 208 CE1 TYR A 14 39.218 66.584 -61.729 1.00 0.00 C ATOM 209 CE2 TYR A 14 40.938 67.539 -63.138 1.00 0.00 C ATOM 210 CZ TYR A 14 39.586 67.279 -62.881 1.00 0.00 C ATOM 211 OH TYR A 14 38.614 67.703 -63.765 1.00 0.00 O ATOM 0 H TYR A 14 44.781 65.269 -61.371 1.00 0.00 H new ATOM 0 HA TYR A 14 42.974 63.875 -59.513 1.00 0.00 H new ATOM 0 HB2 TYR A 14 42.229 65.971 -59.091 1.00 0.00 H new ATOM 0 HB3 TYR A 14 43.484 66.572 -60.157 1.00 0.00 H new ATOM 0 HD1 TYR A 14 39.908 65.610 -59.940 1.00 0.00 H new ATOM 0 HD2 TYR A 14 42.964 67.298 -62.438 1.00 0.00 H new ATOM 0 HE1 TYR A 14 38.176 66.383 -61.530 1.00 0.00 H new ATOM 0 HE2 TYR A 14 41.224 68.078 -64.029 1.00 0.00 H new ATOM 0 HH TYR A 14 39.036 68.172 -64.515 1.00 0.00 H new ATOM 221 N ASN A 15 41.036 63.257 -61.018 1.00 0.00 N ATOM 222 CA ASN A 15 40.023 62.654 -61.932 1.00 0.00 C ATOM 223 C ASN A 15 38.736 62.345 -61.146 1.00 0.00 C ATOM 224 O ASN A 15 37.640 62.557 -61.635 1.00 0.00 O ATOM 225 CB ASN A 15 40.583 61.370 -62.569 1.00 0.00 C ATOM 226 CG ASN A 15 40.681 60.250 -61.530 1.00 0.00 C ATOM 227 OD1 ASN A 15 41.692 60.100 -60.875 1.00 0.00 O ATOM 228 ND2 ASN A 15 39.673 59.449 -61.346 1.00 0.00 N ATOM 0 H ASN A 15 40.824 63.155 -60.026 1.00 0.00 H new ATOM 0 HA ASN A 15 39.791 63.362 -62.728 1.00 0.00 H new ATOM 0 HB2 ASN A 15 39.940 61.055 -63.391 1.00 0.00 H new ATOM 0 HB3 ASN A 15 41.568 61.568 -62.992 1.00 0.00 H new ATOM 0 HD21 ASN A 15 39.735 58.701 -60.655 1.00 0.00 H new ATOM 0 HD22 ASN A 15 38.820 59.569 -61.892 1.00 0.00 H new ATOM 235 N ASP A 16 38.871 61.846 -59.938 1.00 0.00 N ATOM 236 CA ASP A 16 37.680 61.506 -59.103 1.00 0.00 C ATOM 237 C ASP A 16 36.837 62.768 -58.837 1.00 0.00 C ATOM 238 O ASP A 16 35.708 62.885 -59.276 1.00 0.00 O ATOM 239 CB ASP A 16 38.156 60.900 -57.772 1.00 0.00 C ATOM 240 CG ASP A 16 39.338 59.955 -58.024 1.00 0.00 C ATOM 241 OD1 ASP A 16 40.428 60.455 -58.265 1.00 0.00 O ATOM 242 OD2 ASP A 16 39.137 58.757 -57.973 1.00 0.00 O ATOM 0 H ASP A 16 39.769 61.659 -59.493 1.00 0.00 H new ATOM 0 HA ASP A 16 37.060 60.783 -59.634 1.00 0.00 H new ATOM 0 HB2 ASP A 16 38.453 61.694 -57.086 1.00 0.00 H new ATOM 0 HB3 ASP A 16 37.339 60.357 -57.297 1.00 0.00 H new ATOM 247 N ASP A 17 37.408 63.697 -58.116 1.00 0.00 N ATOM 248 CA ASP A 17 36.728 64.992 -57.750 1.00 0.00 C ATOM 249 C ASP A 17 37.640 65.697 -56.734 1.00 0.00 C ATOM 250 O ASP A 17 37.874 66.892 -56.791 1.00 0.00 O ATOM 251 CB ASP A 17 35.356 64.710 -57.114 1.00 0.00 C ATOM 252 CG ASP A 17 34.292 65.605 -57.753 1.00 0.00 C ATOM 253 OD1 ASP A 17 33.766 65.222 -58.788 1.00 0.00 O ATOM 254 OD2 ASP A 17 34.019 66.656 -57.199 1.00 0.00 O ATOM 0 H ASP A 17 38.356 63.614 -57.748 1.00 0.00 H new ATOM 0 HA ASP A 17 36.566 65.611 -58.633 1.00 0.00 H new ATOM 0 HB2 ASP A 17 35.091 63.661 -57.250 1.00 0.00 H new ATOM 0 HB3 ASP A 17 35.399 64.891 -56.040 1.00 0.00 H new ATOM 259 N ASP A 18 38.185 64.914 -55.833 1.00 0.00 N ATOM 260 CA ASP A 18 39.142 65.421 -54.801 1.00 0.00 C ATOM 261 C ASP A 18 40.186 64.319 -54.518 1.00 0.00 C ATOM 262 O ASP A 18 41.349 64.606 -54.312 1.00 0.00 O ATOM 263 CB ASP A 18 38.381 65.779 -53.511 1.00 0.00 C ATOM 264 CG ASP A 18 39.363 65.951 -52.342 1.00 0.00 C ATOM 265 OD1 ASP A 18 39.950 67.016 -52.236 1.00 0.00 O ATOM 266 OD2 ASP A 18 39.510 65.017 -51.569 1.00 0.00 O ATOM 0 H ASP A 18 37.999 63.913 -55.770 1.00 0.00 H new ATOM 0 HA ASP A 18 39.643 66.319 -55.163 1.00 0.00 H new ATOM 0 HB2 ASP A 18 37.815 66.699 -53.658 1.00 0.00 H new ATOM 0 HB3 ASP A 18 37.660 64.996 -53.277 1.00 0.00 H new ATOM 271 N THR A 19 39.771 63.063 -54.523 1.00 0.00 N ATOM 272 CA THR A 19 40.712 61.922 -54.274 1.00 0.00 C ATOM 273 C THR A 19 41.956 62.087 -55.164 1.00 0.00 C ATOM 274 O THR A 19 43.002 62.519 -54.707 1.00 0.00 O ATOM 275 CB THR A 19 39.977 60.607 -54.604 1.00 0.00 C ATOM 276 OG1 THR A 19 39.123 60.267 -53.522 1.00 0.00 O ATOM 277 CG2 THR A 19 40.971 59.466 -54.840 1.00 0.00 C ATOM 0 H THR A 19 38.805 62.783 -54.692 1.00 0.00 H new ATOM 0 HA THR A 19 41.033 61.905 -53.232 1.00 0.00 H new ATOM 0 HB THR A 19 39.396 60.753 -55.515 1.00 0.00 H new ATOM 0 HG1 THR A 19 38.559 59.507 -53.777 1.00 0.00 H new ATOM 0 HG21 THR A 19 40.426 58.551 -55.071 1.00 0.00 H new ATOM 0 HG22 THR A 19 41.624 59.720 -55.675 1.00 0.00 H new ATOM 0 HG23 THR A 19 41.571 59.315 -53.943 1.00 0.00 H new ATOM 285 N PHE A 20 41.843 61.755 -56.429 1.00 0.00 N ATOM 286 CA PHE A 20 42.991 61.907 -57.378 1.00 0.00 C ATOM 287 C PHE A 20 44.101 60.902 -57.073 1.00 0.00 C ATOM 288 O PHE A 20 44.076 60.178 -56.087 1.00 0.00 O ATOM 289 CB PHE A 20 43.613 63.312 -57.250 1.00 0.00 C ATOM 290 CG PHE A 20 42.574 64.413 -57.288 1.00 0.00 C ATOM 291 CD1 PHE A 20 41.282 64.176 -57.772 1.00 0.00 C ATOM 292 CD2 PHE A 20 42.928 65.693 -56.849 1.00 0.00 C ATOM 293 CE1 PHE A 20 40.352 65.219 -57.812 1.00 0.00 C ATOM 294 CE2 PHE A 20 41.998 66.733 -56.893 1.00 0.00 C ATOM 295 CZ PHE A 20 40.710 66.498 -57.375 1.00 0.00 C ATOM 0 H PHE A 20 40.992 61.380 -56.849 1.00 0.00 H new ATOM 0 HA PHE A 20 42.594 61.741 -58.380 1.00 0.00 H new ATOM 0 HB2 PHE A 20 44.170 63.375 -56.315 1.00 0.00 H new ATOM 0 HB3 PHE A 20 44.328 63.464 -58.058 1.00 0.00 H new ATOM 0 HD1 PHE A 20 41.004 63.190 -58.114 1.00 0.00 H new ATOM 0 HD2 PHE A 20 43.924 65.877 -56.475 1.00 0.00 H new ATOM 0 HE1 PHE A 20 39.354 65.036 -58.182 1.00 0.00 H new ATOM 0 HE2 PHE A 20 42.276 67.720 -56.554 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.991 67.303 -57.411 1.00 0.00 H new ATOM 305 N THR A 21 45.111 60.921 -57.904 1.00 0.00 N ATOM 306 CA THR A 21 46.298 60.059 -57.692 1.00 0.00 C ATOM 307 C THR A 21 47.493 60.996 -57.557 1.00 0.00 C ATOM 308 O THR A 21 47.916 61.646 -58.497 1.00 0.00 O ATOM 309 CB THR A 21 46.512 59.076 -58.835 1.00 0.00 C ATOM 310 OG1 THR A 21 45.262 58.729 -59.430 1.00 0.00 O ATOM 311 CG2 THR A 21 47.154 57.841 -58.231 1.00 0.00 C ATOM 0 H THR A 21 45.158 61.511 -58.735 1.00 0.00 H new ATOM 0 HA THR A 21 46.161 59.449 -56.799 1.00 0.00 H new ATOM 0 HB THR A 21 47.141 59.512 -59.611 1.00 0.00 H new ATOM 0 HG1 THR A 21 44.991 57.838 -59.125 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.329 57.102 -59.013 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.104 58.113 -57.770 1.00 0.00 H new ATOM 0 HG23 THR A 21 46.491 57.419 -57.475 1.00 0.00 H new ATOM 319 N VAL A 22 47.968 61.115 -56.363 1.00 0.00 N ATOM 320 CA VAL A 22 49.071 62.056 -56.042 1.00 0.00 C ATOM 321 C VAL A 22 50.456 61.412 -56.179 1.00 0.00 C ATOM 322 O VAL A 22 50.755 60.411 -55.561 1.00 0.00 O ATOM 323 CB VAL A 22 48.856 62.516 -54.598 1.00 0.00 C ATOM 324 CG1 VAL A 22 50.040 63.347 -54.121 1.00 0.00 C ATOM 325 CG2 VAL A 22 47.581 63.356 -54.519 1.00 0.00 C ATOM 0 H VAL A 22 47.628 60.581 -55.563 1.00 0.00 H new ATOM 0 HA VAL A 22 49.049 62.888 -56.746 1.00 0.00 H new ATOM 0 HB VAL A 22 48.763 61.638 -53.959 1.00 0.00 H new ATOM 0 HG11 VAL A 22 49.870 63.666 -53.093 1.00 0.00 H new ATOM 0 HG12 VAL A 22 50.949 62.747 -54.170 1.00 0.00 H new ATOM 0 HG13 VAL A 22 50.150 64.224 -54.759 1.00 0.00 H new ATOM 0 HG21 VAL A 22 47.425 63.685 -53.492 1.00 0.00 H new ATOM 0 HG22 VAL A 22 47.678 64.226 -55.168 1.00 0.00 H new ATOM 0 HG23 VAL A 22 46.730 62.756 -54.841 1.00 0.00 H new ATOM 335 N LYS A 23 51.307 62.047 -56.946 1.00 0.00 N ATOM 336 CA LYS A 23 52.721 61.593 -57.131 1.00 0.00 C ATOM 337 C LYS A 23 53.578 62.603 -56.377 1.00 0.00 C ATOM 338 O LYS A 23 54.220 63.467 -56.967 1.00 0.00 O ATOM 339 CB LYS A 23 53.079 61.649 -58.614 1.00 0.00 C ATOM 340 CG LYS A 23 54.342 60.832 -58.881 1.00 0.00 C ATOM 341 CD LYS A 23 55.240 61.600 -59.855 1.00 0.00 C ATOM 342 CE LYS A 23 56.498 62.077 -59.129 1.00 0.00 C ATOM 343 NZ LYS A 23 56.212 63.365 -58.429 1.00 0.00 N ATOM 0 H LYS A 23 51.071 62.890 -57.469 1.00 0.00 H new ATOM 0 HA LYS A 23 52.871 60.575 -56.772 1.00 0.00 H new ATOM 0 HB2 LYS A 23 52.253 61.261 -59.210 1.00 0.00 H new ATOM 0 HB3 LYS A 23 53.235 62.684 -58.920 1.00 0.00 H new ATOM 0 HG2 LYS A 23 54.873 60.645 -57.948 1.00 0.00 H new ATOM 0 HG3 LYS A 23 54.080 59.860 -59.298 1.00 0.00 H new ATOM 0 HD2 LYS A 23 55.513 60.960 -60.694 1.00 0.00 H new ATOM 0 HD3 LYS A 23 54.701 62.453 -60.267 1.00 0.00 H new ATOM 0 HE2 LYS A 23 56.823 61.325 -58.410 1.00 0.00 H new ATOM 0 HE3 LYS A 23 57.313 62.211 -59.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.073 63.698 -57.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 55.905 64.076 -59.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 55.459 63.219 -57.727 1.00 0.00 H new ATOM 357 N VAL A 24 53.551 62.549 -55.080 1.00 0.00 N ATOM 358 CA VAL A 24 54.298 63.567 -54.291 1.00 0.00 C ATOM 359 C VAL A 24 54.920 62.950 -53.039 1.00 0.00 C ATOM 360 O VAL A 24 54.929 61.746 -52.856 1.00 0.00 O ATOM 361 CB VAL A 24 53.319 64.675 -53.896 1.00 0.00 C ATOM 362 CG1 VAL A 24 52.340 64.945 -55.044 1.00 0.00 C ATOM 363 CG2 VAL A 24 52.532 64.253 -52.658 1.00 0.00 C ATOM 0 H VAL A 24 53.049 61.851 -54.532 1.00 0.00 H new ATOM 0 HA VAL A 24 55.110 63.969 -54.897 1.00 0.00 H new ATOM 0 HB VAL A 24 53.885 65.581 -53.680 1.00 0.00 H new ATOM 0 HG11 VAL A 24 51.647 65.735 -54.753 1.00 0.00 H new ATOM 0 HG12 VAL A 24 52.894 65.256 -55.929 1.00 0.00 H new ATOM 0 HG13 VAL A 24 51.781 64.036 -55.267 1.00 0.00 H new ATOM 0 HG21 VAL A 24 51.837 65.045 -52.381 1.00 0.00 H new ATOM 0 HG22 VAL A 24 51.975 63.341 -52.874 1.00 0.00 H new ATOM 0 HG23 VAL A 24 53.221 64.071 -51.833 1.00 0.00 H new ATOM 373 N GLY A 25 55.442 63.781 -52.176 1.00 0.00 N ATOM 374 CA GLY A 25 56.077 63.261 -50.922 1.00 0.00 C ATOM 375 C GLY A 25 57.219 62.350 -51.311 1.00 0.00 C ATOM 376 O GLY A 25 58.296 62.801 -51.672 1.00 0.00 O ATOM 0 H GLY A 25 55.458 64.795 -52.282 1.00 0.00 H new ATOM 0 HA2 GLY A 25 56.441 64.086 -50.310 1.00 0.00 H new ATOM 0 HA3 GLY A 25 55.346 62.719 -50.323 1.00 0.00 H new ATOM 380 N ASP A 26 56.985 61.077 -51.260 1.00 0.00 N ATOM 381 CA ASP A 26 58.035 60.109 -51.652 1.00 0.00 C ATOM 382 C ASP A 26 57.408 58.976 -52.473 1.00 0.00 C ATOM 383 O ASP A 26 58.043 57.959 -52.710 1.00 0.00 O ATOM 384 CB ASP A 26 58.680 59.524 -50.389 1.00 0.00 C ATOM 385 CG ASP A 26 59.158 60.654 -49.469 1.00 0.00 C ATOM 386 OD1 ASP A 26 60.279 61.099 -49.643 1.00 0.00 O ATOM 387 OD2 ASP A 26 58.390 61.060 -48.606 1.00 0.00 O ATOM 0 H ASP A 26 56.103 60.661 -50.961 1.00 0.00 H new ATOM 0 HA ASP A 26 58.792 60.615 -52.251 1.00 0.00 H new ATOM 0 HB2 ASP A 26 57.962 58.895 -49.863 1.00 0.00 H new ATOM 0 HB3 ASP A 26 59.521 58.887 -50.663 1.00 0.00 H new ATOM 392 N LYS A 27 56.168 59.130 -52.891 1.00 0.00 N ATOM 393 CA LYS A 27 55.488 58.047 -53.667 1.00 0.00 C ATOM 394 C LYS A 27 54.358 58.620 -54.548 1.00 0.00 C ATOM 395 O LYS A 27 54.106 59.819 -54.590 1.00 0.00 O ATOM 396 CB LYS A 27 54.875 57.040 -52.673 1.00 0.00 C ATOM 397 CG LYS A 27 55.980 56.333 -51.876 1.00 0.00 C ATOM 398 CD LYS A 27 56.784 55.424 -52.811 1.00 0.00 C ATOM 399 CE LYS A 27 58.028 54.903 -52.085 1.00 0.00 C ATOM 400 NZ LYS A 27 59.149 55.872 -52.274 1.00 0.00 N ATOM 0 H LYS A 27 55.601 59.962 -52.726 1.00 0.00 H new ATOM 0 HA LYS A 27 56.223 57.566 -54.312 1.00 0.00 H new ATOM 0 HB2 LYS A 27 54.201 57.558 -51.991 1.00 0.00 H new ATOM 0 HB3 LYS A 27 54.279 56.304 -53.213 1.00 0.00 H new ATOM 0 HG2 LYS A 27 56.637 57.069 -51.414 1.00 0.00 H new ATOM 0 HG3 LYS A 27 55.542 55.746 -51.069 1.00 0.00 H new ATOM 0 HD2 LYS A 27 56.167 54.588 -53.140 1.00 0.00 H new ATOM 0 HD3 LYS A 27 57.077 55.975 -53.705 1.00 0.00 H new ATOM 0 HE2 LYS A 27 57.817 54.775 -51.023 1.00 0.00 H new ATOM 0 HE3 LYS A 27 58.308 53.924 -52.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 59.693 55.950 -51.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 59.772 55.537 -53.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 58.763 56.804 -52.527 1.00 0.00 H new ATOM 414 N GLU A 28 53.668 57.744 -55.237 1.00 0.00 N ATOM 415 CA GLU A 28 52.537 58.169 -56.109 1.00 0.00 C ATOM 416 C GLU A 28 51.393 57.162 -55.951 1.00 0.00 C ATOM 417 O GLU A 28 51.601 55.966 -56.078 1.00 0.00 O ATOM 418 CB GLU A 28 52.998 58.193 -57.568 1.00 0.00 C ATOM 419 CG GLU A 28 51.828 58.622 -58.471 1.00 0.00 C ATOM 420 CD GLU A 28 52.205 58.436 -59.944 1.00 0.00 C ATOM 421 OE1 GLU A 28 52.588 57.336 -60.305 1.00 0.00 O ATOM 422 OE2 GLU A 28 52.100 59.399 -60.686 1.00 0.00 O ATOM 0 H GLU A 28 53.846 56.740 -55.230 1.00 0.00 H new ATOM 0 HA GLU A 28 52.200 59.166 -55.824 1.00 0.00 H new ATOM 0 HB2 GLU A 28 53.833 58.884 -57.685 1.00 0.00 H new ATOM 0 HB3 GLU A 28 53.356 57.207 -57.863 1.00 0.00 H new ATOM 0 HG2 GLU A 28 50.942 58.032 -58.237 1.00 0.00 H new ATOM 0 HG3 GLU A 28 51.575 59.665 -58.281 1.00 0.00 H new ATOM 429 N LEU A 29 50.190 57.619 -55.666 1.00 0.00 N ATOM 430 CA LEU A 29 49.055 56.649 -55.501 1.00 0.00 C ATOM 431 C LEU A 29 47.707 57.374 -55.298 1.00 0.00 C ATOM 432 O LEU A 29 47.649 58.578 -55.099 1.00 0.00 O ATOM 433 CB LEU A 29 49.379 55.709 -54.317 1.00 0.00 C ATOM 434 CG LEU A 29 48.744 56.178 -52.999 1.00 0.00 C ATOM 435 CD1 LEU A 29 49.243 55.279 -51.870 1.00 0.00 C ATOM 436 CD2 LEU A 29 49.145 57.616 -52.677 1.00 0.00 C ATOM 0 H LEU A 29 49.949 58.602 -55.543 1.00 0.00 H new ATOM 0 HA LEU A 29 48.948 56.061 -56.413 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.026 54.704 -54.549 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.460 55.646 -54.193 1.00 0.00 H new ATOM 0 HG LEU A 29 47.660 56.127 -53.099 1.00 0.00 H new ATOM 0 HD11 LEU A 29 48.801 55.600 -50.927 1.00 0.00 H new ATOM 0 HD12 LEU A 29 48.956 54.247 -52.073 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.329 55.348 -51.803 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.681 57.922 -51.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.229 57.679 -52.583 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.811 58.275 -53.478 1.00 0.00 H new ATOM 448 N PHE A 30 46.621 56.629 -55.363 1.00 0.00 N ATOM 449 CA PHE A 30 45.260 57.216 -55.185 1.00 0.00 C ATOM 450 C PHE A 30 45.100 57.656 -53.733 1.00 0.00 C ATOM 451 O PHE A 30 45.769 57.159 -52.841 1.00 0.00 O ATOM 452 CB PHE A 30 44.191 56.170 -55.531 1.00 0.00 C ATOM 453 CG PHE A 30 43.675 56.404 -56.934 1.00 0.00 C ATOM 454 CD1 PHE A 30 42.712 57.392 -57.169 1.00 0.00 C ATOM 455 CD2 PHE A 30 44.153 55.628 -57.997 1.00 0.00 C ATOM 456 CE1 PHE A 30 42.226 57.606 -58.466 1.00 0.00 C ATOM 457 CE2 PHE A 30 43.667 55.841 -59.294 1.00 0.00 C ATOM 458 CZ PHE A 30 42.704 56.830 -59.528 1.00 0.00 C ATOM 0 H PHE A 30 46.628 55.624 -55.535 1.00 0.00 H new ATOM 0 HA PHE A 30 45.140 58.073 -55.847 1.00 0.00 H new ATOM 0 HB2 PHE A 30 44.612 55.168 -55.452 1.00 0.00 H new ATOM 0 HB3 PHE A 30 43.369 56.228 -54.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 42.343 57.991 -56.349 1.00 0.00 H new ATOM 0 HD2 PHE A 30 44.896 54.865 -57.817 1.00 0.00 H new ATOM 0 HE1 PHE A 30 41.483 58.369 -58.646 1.00 0.00 H new ATOM 0 HE2 PHE A 30 44.036 55.242 -60.114 1.00 0.00 H new ATOM 0 HZ PHE A 30 42.330 56.994 -60.528 1.00 0.00 H new ATOM 468 N THR A 31 44.261 58.620 -53.497 1.00 0.00 N ATOM 469 CA THR A 31 44.111 59.148 -52.094 1.00 0.00 C ATOM 470 C THR A 31 42.671 59.608 -51.834 1.00 0.00 C ATOM 471 O THR A 31 42.158 60.453 -52.531 1.00 0.00 O ATOM 472 CB THR A 31 45.096 60.326 -51.954 1.00 0.00 C ATOM 473 OG1 THR A 31 44.491 61.416 -51.265 1.00 0.00 O ATOM 474 CG2 THR A 31 45.530 60.773 -53.360 1.00 0.00 C ATOM 0 H THR A 31 43.673 59.069 -54.199 1.00 0.00 H new ATOM 0 HA THR A 31 44.330 58.370 -51.362 1.00 0.00 H new ATOM 0 HB THR A 31 45.962 60.003 -51.376 1.00 0.00 H new ATOM 0 HG1 THR A 31 44.487 62.207 -51.843 1.00 0.00 H new ATOM 0 HG21 THR A 31 46.228 61.606 -53.278 1.00 0.00 H new ATOM 0 HG22 THR A 31 46.016 59.942 -53.872 1.00 0.00 H new ATOM 0 HG23 THR A 31 44.655 61.087 -53.928 1.00 0.00 H new ATOM 482 N ASN A 32 42.020 59.063 -50.831 1.00 0.00 N ATOM 483 CA ASN A 32 40.610 59.478 -50.535 1.00 0.00 C ATOM 484 C ASN A 32 40.369 59.578 -49.016 1.00 0.00 C ATOM 485 O ASN A 32 40.795 58.735 -48.246 1.00 0.00 O ATOM 486 CB ASN A 32 39.632 58.461 -51.149 1.00 0.00 C ATOM 487 CG ASN A 32 40.064 57.029 -50.813 1.00 0.00 C ATOM 488 OD1 ASN A 32 39.619 56.461 -49.840 1.00 0.00 O ATOM 489 ND2 ASN A 32 40.910 56.415 -51.587 1.00 0.00 N ATOM 0 H ASN A 32 42.402 58.352 -50.208 1.00 0.00 H new ATOM 0 HA ASN A 32 40.443 60.462 -50.974 1.00 0.00 H new ATOM 0 HB2 ASN A 32 38.626 58.642 -50.771 1.00 0.00 H new ATOM 0 HB3 ASN A 32 39.594 58.591 -52.231 1.00 0.00 H new ATOM 0 HD21 ASN A 32 41.196 55.459 -51.374 1.00 0.00 H new ATOM 0 HD22 ASN A 32 41.287 56.889 -52.407 1.00 0.00 H new ATOM 496 N ARG A 33 39.667 60.609 -48.598 1.00 0.00 N ATOM 497 CA ARG A 33 39.348 60.801 -47.142 1.00 0.00 C ATOM 498 C ARG A 33 38.179 61.786 -47.013 1.00 0.00 C ATOM 499 O ARG A 33 37.172 61.477 -46.405 1.00 0.00 O ATOM 500 CB ARG A 33 40.570 61.356 -46.390 1.00 0.00 C ATOM 501 CG ARG A 33 40.394 61.155 -44.871 1.00 0.00 C ATOM 502 CD ARG A 33 39.371 62.158 -44.311 1.00 0.00 C ATOM 503 NE ARG A 33 39.631 62.391 -42.852 1.00 0.00 N ATOM 504 CZ ARG A 33 38.844 63.159 -42.142 1.00 0.00 C ATOM 505 NH1 ARG A 33 37.749 63.639 -42.643 1.00 0.00 N ATOM 506 NH2 ARG A 33 39.151 63.429 -40.910 1.00 0.00 N ATOM 0 H ARG A 33 39.297 61.335 -49.212 1.00 0.00 H new ATOM 0 HA ARG A 33 39.079 59.839 -46.707 1.00 0.00 H new ATOM 0 HB2 ARG A 33 41.475 60.852 -46.729 1.00 0.00 H new ATOM 0 HB3 ARG A 33 40.693 62.416 -46.613 1.00 0.00 H new ATOM 0 HG2 ARG A 33 40.062 60.137 -44.669 1.00 0.00 H new ATOM 0 HG3 ARG A 33 41.352 61.284 -44.367 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.436 63.100 -44.856 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.360 61.777 -44.453 1.00 0.00 H new ATOM 0 HE ARG A 33 40.433 61.944 -42.407 1.00 0.00 H new ATOM 0 HH11 ARG A 33 37.489 63.420 -43.605 1.00 0.00 H new ATOM 0 HH12 ARG A 33 37.147 64.236 -42.076 1.00 0.00 H new ATOM 0 HH21 ARG A 33 40.002 63.043 -40.500 1.00 0.00 H new ATOM 0 HH22 ARG A 33 38.542 64.027 -40.352 1.00 0.00 H new ATOM 520 N TRP A 34 38.309 62.968 -47.589 1.00 0.00 N ATOM 521 CA TRP A 34 37.202 63.984 -47.509 1.00 0.00 C ATOM 522 C TRP A 34 37.586 65.309 -48.215 1.00 0.00 C ATOM 523 O TRP A 34 36.722 66.032 -48.674 1.00 0.00 O ATOM 524 CB TRP A 34 36.836 64.218 -46.025 1.00 0.00 C ATOM 525 CG TRP A 34 37.522 65.423 -45.440 1.00 0.00 C ATOM 526 CD1 TRP A 34 36.871 66.462 -44.877 1.00 0.00 C ATOM 527 CD2 TRP A 34 38.949 65.723 -45.316 1.00 0.00 C ATOM 528 NE1 TRP A 34 37.796 67.382 -44.425 1.00 0.00 N ATOM 529 CE2 TRP A 34 39.088 66.977 -44.676 1.00 0.00 C ATOM 530 CE3 TRP A 34 40.124 65.047 -45.697 1.00 0.00 C ATOM 531 CZ2 TRP A 34 40.339 67.537 -44.421 1.00 0.00 C ATOM 532 CZ3 TRP A 34 41.384 65.607 -45.443 1.00 0.00 C ATOM 533 CH2 TRP A 34 41.492 66.850 -44.807 1.00 0.00 C ATOM 0 H TRP A 34 39.133 63.270 -48.109 1.00 0.00 H new ATOM 0 HA TRP A 34 36.330 63.597 -48.036 1.00 0.00 H new ATOM 0 HB2 TRP A 34 35.757 64.341 -45.936 1.00 0.00 H new ATOM 0 HB3 TRP A 34 37.105 63.335 -45.445 1.00 0.00 H new ATOM 0 HD1 TRP A 34 35.799 66.559 -44.793 1.00 0.00 H new ATOM 0 HE1 TRP A 34 37.552 68.257 -43.961 1.00 0.00 H new ATOM 0 HE3 TRP A 34 40.054 64.088 -46.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 40.416 68.495 -43.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 42.277 65.077 -45.740 1.00 0.00 H new ATOM 0 HH2 TRP A 34 42.465 67.277 -44.615 1.00 0.00 H new ATOM 544 N ASN A 35 38.863 65.623 -48.316 1.00 0.00 N ATOM 545 CA ASN A 35 39.300 66.887 -48.996 1.00 0.00 C ATOM 546 C ASN A 35 40.834 66.993 -48.937 1.00 0.00 C ATOM 547 O ASN A 35 41.391 67.840 -48.255 1.00 0.00 O ATOM 548 CB ASN A 35 38.670 68.106 -48.303 1.00 0.00 C ATOM 549 CG ASN A 35 38.647 69.287 -49.276 1.00 0.00 C ATOM 550 OD1 ASN A 35 39.592 70.046 -49.358 1.00 0.00 O ATOM 551 ND2 ASN A 35 37.602 69.473 -50.028 1.00 0.00 N ATOM 0 H ASN A 35 39.625 65.050 -47.952 1.00 0.00 H new ATOM 0 HA ASN A 35 38.974 66.866 -50.036 1.00 0.00 H new ATOM 0 HB2 ASN A 35 37.657 67.870 -47.976 1.00 0.00 H new ATOM 0 HB3 ASN A 35 39.240 68.366 -47.411 1.00 0.00 H new ATOM 0 HD21 ASN A 35 37.578 70.254 -50.684 1.00 0.00 H new ATOM 0 HD22 ASN A 35 36.807 68.838 -49.962 1.00 0.00 H new ATOM 558 N LEU A 36 41.522 66.138 -49.650 1.00 0.00 N ATOM 559 CA LEU A 36 43.020 66.179 -49.647 1.00 0.00 C ATOM 560 C LEU A 36 43.523 67.311 -50.565 1.00 0.00 C ATOM 561 O LEU A 36 44.650 67.763 -50.439 1.00 0.00 O ATOM 562 CB LEU A 36 43.565 64.828 -50.124 1.00 0.00 C ATOM 563 CG LEU A 36 44.055 64.018 -48.917 1.00 0.00 C ATOM 564 CD1 LEU A 36 43.183 62.774 -48.742 1.00 0.00 C ATOM 565 CD2 LEU A 36 45.503 63.587 -49.147 1.00 0.00 C ATOM 0 H LEU A 36 41.112 65.411 -50.236 1.00 0.00 H new ATOM 0 HA LEU A 36 43.374 66.373 -48.635 1.00 0.00 H new ATOM 0 HB2 LEU A 36 42.788 64.277 -50.654 1.00 0.00 H new ATOM 0 HB3 LEU A 36 44.383 64.982 -50.828 1.00 0.00 H new ATOM 0 HG LEU A 36 43.992 64.636 -48.021 1.00 0.00 H new ATOM 0 HD11 LEU A 36 43.534 62.201 -47.884 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.148 63.075 -48.579 1.00 0.00 H new ATOM 0 HD13 LEU A 36 43.244 62.158 -49.639 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.852 63.011 -48.290 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.561 62.972 -50.045 1.00 0.00 H new ATOM 0 HD23 LEU A 36 46.130 64.470 -49.271 1.00 0.00 H new ATOM 577 N GLN A 37 42.690 67.779 -51.474 1.00 0.00 N ATOM 578 CA GLN A 37 43.096 68.892 -52.392 1.00 0.00 C ATOM 579 C GLN A 37 43.636 70.066 -51.567 1.00 0.00 C ATOM 580 O GLN A 37 44.701 70.593 -51.840 1.00 0.00 O ATOM 581 CB GLN A 37 41.869 69.367 -53.174 1.00 0.00 C ATOM 582 CG GLN A 37 41.798 68.649 -54.519 1.00 0.00 C ATOM 583 CD GLN A 37 40.819 69.387 -55.432 1.00 0.00 C ATOM 584 OE1 GLN A 37 41.205 70.276 -56.159 1.00 0.00 O ATOM 585 NE2 GLN A 37 39.559 69.059 -55.426 1.00 0.00 N ATOM 0 H GLN A 37 41.741 67.433 -51.617 1.00 0.00 H new ATOM 0 HA GLN A 37 43.866 68.535 -53.076 1.00 0.00 H new ATOM 0 HB2 GLN A 37 40.963 69.172 -52.600 1.00 0.00 H new ATOM 0 HB3 GLN A 37 41.921 70.445 -53.330 1.00 0.00 H new ATOM 0 HG2 GLN A 37 42.786 68.613 -54.978 1.00 0.00 H new ATOM 0 HG3 GLN A 37 41.475 67.618 -54.378 1.00 0.00 H new ATOM 0 HE21 GLN A 37 39.230 68.311 -54.816 1.00 0.00 H new ATOM 0 HE22 GLN A 37 38.901 69.550 -56.032 1.00 0.00 H new ATOM 594 N SER A 38 42.894 70.469 -50.560 1.00 0.00 N ATOM 595 CA SER A 38 43.324 71.607 -49.686 1.00 0.00 C ATOM 596 C SER A 38 44.728 71.339 -49.125 1.00 0.00 C ATOM 597 O SER A 38 45.540 72.244 -49.008 1.00 0.00 O ATOM 598 CB SER A 38 42.331 71.750 -48.528 1.00 0.00 C ATOM 599 OG SER A 38 42.464 73.044 -47.952 1.00 0.00 O ATOM 0 H SER A 38 41.999 70.052 -50.305 1.00 0.00 H new ATOM 0 HA SER A 38 43.347 72.525 -50.273 1.00 0.00 H new ATOM 0 HB2 SER A 38 41.312 71.602 -48.887 1.00 0.00 H new ATOM 0 HB3 SER A 38 42.519 70.984 -47.776 1.00 0.00 H new ATOM 0 HG SER A 38 41.829 73.139 -47.212 1.00 0.00 H new ATOM 605 N LEU A 39 45.020 70.104 -48.782 1.00 0.00 N ATOM 606 CA LEU A 39 46.368 69.759 -48.229 1.00 0.00 C ATOM 607 C LEU A 39 47.414 69.835 -49.343 1.00 0.00 C ATOM 608 O LEU A 39 48.477 70.398 -49.160 1.00 0.00 O ATOM 609 CB LEU A 39 46.333 68.341 -47.644 1.00 0.00 C ATOM 610 CG LEU A 39 45.765 68.384 -46.224 1.00 0.00 C ATOM 611 CD1 LEU A 39 44.270 68.703 -46.272 1.00 0.00 C ATOM 612 CD2 LEU A 39 45.965 67.024 -45.554 1.00 0.00 C ATOM 0 H LEU A 39 44.377 69.317 -48.863 1.00 0.00 H new ATOM 0 HA LEU A 39 46.631 70.466 -47.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 45.721 67.693 -48.272 1.00 0.00 H new ATOM 0 HB3 LEU A 39 47.337 67.917 -47.632 1.00 0.00 H new ATOM 0 HG LEU A 39 46.283 69.157 -45.656 1.00 0.00 H new ATOM 0 HD11 LEU A 39 43.871 68.732 -45.258 1.00 0.00 H new ATOM 0 HD12 LEU A 39 44.120 69.672 -46.749 1.00 0.00 H new ATOM 0 HD13 LEU A 39 43.752 67.933 -46.843 1.00 0.00 H new ATOM 0 HD21 LEU A 39 45.561 67.054 -44.542 1.00 0.00 H new ATOM 0 HD22 LEU A 39 45.448 66.256 -46.129 1.00 0.00 H new ATOM 0 HD23 LEU A 39 47.029 66.792 -45.513 1.00 0.00 H new ATOM 624 N LEU A 40 47.121 69.286 -50.498 1.00 0.00 N ATOM 625 CA LEU A 40 48.104 69.343 -51.628 1.00 0.00 C ATOM 626 C LEU A 40 48.329 70.806 -52.030 1.00 0.00 C ATOM 627 O LEU A 40 49.438 71.218 -52.327 1.00 0.00 O ATOM 628 CB LEU A 40 47.554 68.566 -52.825 1.00 0.00 C ATOM 629 CG LEU A 40 47.507 67.078 -52.489 1.00 0.00 C ATOM 630 CD1 LEU A 40 46.464 66.391 -53.370 1.00 0.00 C ATOM 631 CD2 LEU A 40 48.883 66.459 -52.744 1.00 0.00 C ATOM 0 H LEU A 40 46.247 68.803 -50.707 1.00 0.00 H new ATOM 0 HA LEU A 40 49.048 68.900 -51.312 1.00 0.00 H new ATOM 0 HB2 LEU A 40 46.556 68.924 -53.077 1.00 0.00 H new ATOM 0 HB3 LEU A 40 48.183 68.732 -53.700 1.00 0.00 H new ATOM 0 HG LEU A 40 47.238 66.946 -51.441 1.00 0.00 H new ATOM 0 HD11 LEU A 40 46.429 65.328 -53.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 45.485 66.836 -53.189 1.00 0.00 H new ATOM 0 HD13 LEU A 40 46.733 66.519 -54.419 1.00 0.00 H new ATOM 0 HD21 LEU A 40 48.854 65.396 -52.505 1.00 0.00 H new ATOM 0 HD22 LEU A 40 49.151 66.588 -53.793 1.00 0.00 H new ATOM 0 HD23 LEU A 40 49.626 66.952 -52.116 1.00 0.00 H new ATOM 643 N LEU A 41 47.272 71.585 -52.037 1.00 0.00 N ATOM 644 CA LEU A 41 47.375 73.029 -52.412 1.00 0.00 C ATOM 645 C LEU A 41 48.104 73.806 -51.309 1.00 0.00 C ATOM 646 O LEU A 41 49.192 74.304 -51.518 1.00 0.00 O ATOM 647 CB LEU A 41 45.961 73.597 -52.594 1.00 0.00 C ATOM 648 CG LEU A 41 45.618 73.677 -54.083 1.00 0.00 C ATOM 649 CD1 LEU A 41 45.808 72.308 -54.739 1.00 0.00 C ATOM 650 CD2 LEU A 41 44.160 74.106 -54.238 1.00 0.00 C ATOM 0 H LEU A 41 46.331 71.275 -51.795 1.00 0.00 H new ATOM 0 HA LEU A 41 47.937 73.126 -53.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 45.237 72.965 -52.079 1.00 0.00 H new ATOM 0 HB3 LEU A 41 45.897 74.588 -52.144 1.00 0.00 H new ATOM 0 HG LEU A 41 46.276 74.401 -54.564 1.00 0.00 H new ATOM 0 HD11 LEU A 41 45.561 72.375 -55.799 1.00 0.00 H new ATOM 0 HD12 LEU A 41 46.845 71.992 -54.627 1.00 0.00 H new ATOM 0 HD13 LEU A 41 45.153 71.581 -54.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 43.909 74.165 -55.297 1.00 0.00 H new ATOM 0 HD22 LEU A 41 43.512 73.377 -53.752 1.00 0.00 H new ATOM 0 HD23 LEU A 41 44.017 75.083 -53.776 1.00 0.00 H new ATOM 662 N SER A 42 47.513 73.902 -50.136 1.00 0.00 N ATOM 663 CA SER A 42 48.165 74.642 -49.001 1.00 0.00 C ATOM 664 C SER A 42 49.638 74.231 -48.877 1.00 0.00 C ATOM 665 O SER A 42 50.495 75.049 -48.578 1.00 0.00 O ATOM 666 CB SER A 42 47.438 74.323 -47.692 1.00 0.00 C ATOM 667 OG SER A 42 47.309 72.914 -47.548 1.00 0.00 O ATOM 0 H SER A 42 46.603 73.498 -49.916 1.00 0.00 H new ATOM 0 HA SER A 42 48.108 75.712 -49.201 1.00 0.00 H new ATOM 0 HB2 SER A 42 47.990 74.736 -46.848 1.00 0.00 H new ATOM 0 HB3 SER A 42 46.453 74.791 -47.688 1.00 0.00 H new ATOM 0 HG SER A 42 46.442 72.627 -47.904 1.00 0.00 H new ATOM 673 N ALA A 43 49.937 72.973 -49.110 1.00 0.00 N ATOM 674 CA ALA A 43 51.350 72.499 -49.018 1.00 0.00 C ATOM 675 C ALA A 43 52.215 73.256 -50.029 1.00 0.00 C ATOM 676 O ALA A 43 53.044 74.041 -49.657 1.00 0.00 O ATOM 677 CB ALA A 43 51.405 70.996 -49.324 1.00 0.00 C ATOM 0 H ALA A 43 49.258 72.254 -49.361 1.00 0.00 H new ATOM 0 HA ALA A 43 51.727 72.682 -48.012 1.00 0.00 H new ATOM 0 HB1 ALA A 43 52.436 70.649 -49.257 1.00 0.00 H new ATOM 0 HB2 ALA A 43 50.792 70.455 -48.603 1.00 0.00 H new ATOM 0 HB3 ALA A 43 51.026 70.815 -50.330 1.00 0.00 H new ATOM 683 N GLN A 44 52.014 73.026 -51.302 1.00 0.00 N ATOM 684 CA GLN A 44 52.817 73.717 -52.358 1.00 0.00 C ATOM 685 C GLN A 44 52.677 75.233 -52.230 1.00 0.00 C ATOM 686 O GLN A 44 53.619 75.968 -52.460 1.00 0.00 O ATOM 687 CB GLN A 44 52.323 73.273 -53.741 1.00 0.00 C ATOM 688 CG GLN A 44 53.447 72.540 -54.484 1.00 0.00 C ATOM 689 CD GLN A 44 54.260 73.539 -55.314 1.00 0.00 C ATOM 690 OE1 GLN A 44 54.307 73.441 -56.522 1.00 0.00 O ATOM 691 NE2 GLN A 44 54.909 74.500 -54.717 1.00 0.00 N ATOM 0 H GLN A 44 51.314 72.376 -51.661 1.00 0.00 H new ATOM 0 HA GLN A 44 53.867 73.451 -52.235 1.00 0.00 H new ATOM 0 HB2 GLN A 44 51.458 72.619 -53.635 1.00 0.00 H new ATOM 0 HB3 GLN A 44 51.999 74.140 -54.317 1.00 0.00 H new ATOM 0 HG2 GLN A 44 54.096 72.033 -53.770 1.00 0.00 H new ATOM 0 HG3 GLN A 44 53.026 71.772 -55.133 1.00 0.00 H new ATOM 0 HE21 GLN A 44 54.872 74.586 -53.701 1.00 0.00 H new ATOM 0 HE22 GLN A 44 55.453 75.165 -55.266 1.00 0.00 H new ATOM 700 N ILE A 45 51.512 75.703 -51.865 1.00 0.00 N ATOM 701 CA ILE A 45 51.307 77.172 -51.721 1.00 0.00 C ATOM 702 C ILE A 45 52.234 77.709 -50.625 1.00 0.00 C ATOM 703 O ILE A 45 52.995 78.637 -50.837 1.00 0.00 O ATOM 704 CB ILE A 45 49.857 77.448 -51.323 1.00 0.00 C ATOM 705 CG1 ILE A 45 48.917 77.085 -52.479 1.00 0.00 C ATOM 706 CG2 ILE A 45 49.692 78.935 -50.988 1.00 0.00 C ATOM 707 CD1 ILE A 45 47.464 77.304 -52.047 1.00 0.00 C ATOM 0 H ILE A 45 50.693 75.130 -51.660 1.00 0.00 H new ATOM 0 HA ILE A 45 51.529 77.662 -52.669 1.00 0.00 H new ATOM 0 HB ILE A 45 49.607 76.843 -50.452 1.00 0.00 H new ATOM 0 HG12 ILE A 45 49.144 77.697 -53.352 1.00 0.00 H new ATOM 0 HG13 ILE A 45 49.068 76.046 -52.771 1.00 0.00 H new ATOM 0 HG21 ILE A 45 48.658 79.132 -50.704 1.00 0.00 H new ATOM 0 HG22 ILE A 45 50.351 79.197 -50.161 1.00 0.00 H new ATOM 0 HG23 ILE A 45 49.949 79.535 -51.861 1.00 0.00 H new ATOM 0 HD11 ILE A 45 46.797 77.046 -52.869 1.00 0.00 H new ATOM 0 HD12 ILE A 45 47.241 76.673 -51.187 1.00 0.00 H new ATOM 0 HD13 ILE A 45 47.318 78.350 -51.777 1.00 0.00 H new ATOM 719 N THR A 46 52.162 77.118 -49.455 1.00 0.00 N ATOM 720 CA THR A 46 53.023 77.554 -48.308 1.00 0.00 C ATOM 721 C THR A 46 54.432 76.985 -48.491 1.00 0.00 C ATOM 722 O THR A 46 55.419 77.632 -48.192 1.00 0.00 O ATOM 723 CB THR A 46 52.426 77.036 -46.987 1.00 0.00 C ATOM 724 OG1 THR A 46 52.334 75.615 -47.009 1.00 0.00 O ATOM 725 CG2 THR A 46 51.033 77.632 -46.787 1.00 0.00 C ATOM 0 H THR A 46 51.535 76.342 -49.244 1.00 0.00 H new ATOM 0 HA THR A 46 53.068 78.643 -48.279 1.00 0.00 H new ATOM 0 HB THR A 46 53.077 77.336 -46.166 1.00 0.00 H new ATOM 0 HG1 THR A 46 51.436 75.350 -47.297 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.611 77.265 -45.852 1.00 0.00 H new ATOM 0 HG22 THR A 46 51.104 78.719 -46.751 1.00 0.00 H new ATOM 0 HG23 THR A 46 50.389 77.338 -47.616 1.00 0.00 H new ATOM 733 N GLY A 47 54.520 75.779 -48.985 1.00 0.00 N ATOM 734 CA GLY A 47 55.843 75.129 -49.210 1.00 0.00 C ATOM 735 C GLY A 47 55.683 74.026 -50.246 1.00 0.00 C ATOM 736 O GLY A 47 55.694 74.290 -51.428 1.00 0.00 O ATOM 0 H GLY A 47 53.717 75.208 -49.246 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.571 75.865 -49.553 1.00 0.00 H new ATOM 0 HA3 GLY A 47 56.223 74.716 -48.276 1.00 0.00 H new ATOM 740 N MET A 48 55.498 72.806 -49.784 1.00 0.00 N ATOM 741 CA MET A 48 55.287 71.614 -50.687 1.00 0.00 C ATOM 742 C MET A 48 55.997 70.378 -50.117 1.00 0.00 C ATOM 743 O MET A 48 56.862 69.804 -50.750 1.00 0.00 O ATOM 744 CB MET A 48 55.785 71.864 -52.126 1.00 0.00 C ATOM 745 CG MET A 48 57.300 72.113 -52.146 1.00 0.00 C ATOM 746 SD MET A 48 57.744 72.999 -53.661 1.00 0.00 S ATOM 747 CE MET A 48 57.506 71.621 -54.810 1.00 0.00 C ATOM 0 H MET A 48 55.484 72.579 -48.790 1.00 0.00 H new ATOM 0 HA MET A 48 54.211 71.444 -50.730 1.00 0.00 H new ATOM 0 HB2 MET A 48 55.545 71.005 -52.752 1.00 0.00 H new ATOM 0 HB3 MET A 48 55.266 72.723 -52.551 1.00 0.00 H new ATOM 0 HG2 MET A 48 57.596 72.694 -51.272 1.00 0.00 H new ATOM 0 HG3 MET A 48 57.836 71.165 -52.095 1.00 0.00 H new ATOM 0 HE1 MET A 48 57.880 71.900 -55.795 1.00 0.00 H new ATOM 0 HE2 MET A 48 58.050 70.748 -54.449 1.00 0.00 H new ATOM 0 HE3 MET A 48 56.444 71.384 -54.879 1.00 0.00 H new ATOM 757 N THR A 49 55.631 69.945 -48.936 1.00 0.00 N ATOM 758 CA THR A 49 56.275 68.723 -48.354 1.00 0.00 C ATOM 759 C THR A 49 55.635 68.392 -47.003 1.00 0.00 C ATOM 760 O THR A 49 56.254 68.483 -45.954 1.00 0.00 O ATOM 761 CB THR A 49 57.798 68.926 -48.229 1.00 0.00 C ATOM 762 OG1 THR A 49 58.365 67.842 -47.501 1.00 0.00 O ATOM 763 CG2 THR A 49 58.107 70.241 -47.510 1.00 0.00 C ATOM 0 H THR A 49 54.918 70.381 -48.351 1.00 0.00 H new ATOM 0 HA THR A 49 56.112 67.876 -49.021 1.00 0.00 H new ATOM 0 HB THR A 49 58.229 68.964 -49.229 1.00 0.00 H new ATOM 0 HG1 THR A 49 57.968 67.806 -46.606 1.00 0.00 H new ATOM 0 HG21 THR A 49 59.187 70.367 -47.431 1.00 0.00 H new ATOM 0 HG22 THR A 49 57.685 71.072 -48.075 1.00 0.00 H new ATOM 0 HG23 THR A 49 57.670 70.221 -46.512 1.00 0.00 H new ATOM 771 N VAL A 50 54.384 67.995 -47.043 1.00 0.00 N ATOM 772 CA VAL A 50 53.641 67.632 -45.794 1.00 0.00 C ATOM 773 C VAL A 50 54.061 66.223 -45.349 1.00 0.00 C ATOM 774 O VAL A 50 55.167 65.780 -45.618 1.00 0.00 O ATOM 775 CB VAL A 50 52.122 67.669 -46.081 1.00 0.00 C ATOM 776 CG1 VAL A 50 51.785 68.914 -46.874 1.00 0.00 C ATOM 777 CG2 VAL A 50 51.705 66.448 -46.893 1.00 0.00 C ATOM 0 H VAL A 50 53.839 67.906 -47.901 1.00 0.00 H new ATOM 0 HA VAL A 50 53.873 68.341 -44.999 1.00 0.00 H new ATOM 0 HB VAL A 50 51.591 67.672 -45.129 1.00 0.00 H new ATOM 0 HG11 VAL A 50 50.714 68.938 -47.075 1.00 0.00 H new ATOM 0 HG12 VAL A 50 52.067 69.798 -46.301 1.00 0.00 H new ATOM 0 HG13 VAL A 50 52.331 68.904 -47.817 1.00 0.00 H new ATOM 0 HG21 VAL A 50 50.633 66.489 -47.087 1.00 0.00 H new ATOM 0 HG22 VAL A 50 52.245 66.439 -47.840 1.00 0.00 H new ATOM 0 HG23 VAL A 50 51.938 65.542 -46.334 1.00 0.00 H new ATOM 787 N THR A 51 53.190 65.506 -44.687 1.00 0.00 N ATOM 788 CA THR A 51 53.533 64.126 -44.260 1.00 0.00 C ATOM 789 C THR A 51 52.402 63.180 -44.665 1.00 0.00 C ATOM 790 O THR A 51 51.305 63.280 -44.161 1.00 0.00 O ATOM 791 CB THR A 51 53.751 64.066 -42.739 1.00 0.00 C ATOM 792 OG1 THR A 51 54.702 65.046 -42.347 1.00 0.00 O ATOM 793 CG2 THR A 51 54.263 62.681 -42.344 1.00 0.00 C ATOM 0 H THR A 51 52.256 65.821 -44.426 1.00 0.00 H new ATOM 0 HA THR A 51 54.459 63.822 -44.748 1.00 0.00 H new ATOM 0 HB THR A 51 52.802 64.261 -42.239 1.00 0.00 H new ATOM 0 HG1 THR A 51 54.919 64.931 -41.398 1.00 0.00 H new ATOM 0 HG21 THR A 51 54.416 62.644 -41.265 1.00 0.00 H new ATOM 0 HG22 THR A 51 53.531 61.927 -42.633 1.00 0.00 H new ATOM 0 HG23 THR A 51 55.207 62.484 -42.851 1.00 0.00 H new ATOM 801 N ILE A 52 52.669 62.266 -45.571 1.00 0.00 N ATOM 802 CA ILE A 52 51.605 61.297 -46.023 1.00 0.00 C ATOM 803 C ILE A 52 51.761 59.974 -45.263 1.00 0.00 C ATOM 804 O ILE A 52 52.845 59.411 -45.201 1.00 0.00 O ATOM 805 CB ILE A 52 51.739 61.042 -47.532 1.00 0.00 C ATOM 806 CG1 ILE A 52 51.745 62.377 -48.284 1.00 0.00 C ATOM 807 CG2 ILE A 52 50.559 60.194 -48.022 1.00 0.00 C ATOM 808 CD1 ILE A 52 50.533 63.209 -47.872 1.00 0.00 C ATOM 0 H ILE A 52 53.577 62.146 -46.020 1.00 0.00 H new ATOM 0 HA ILE A 52 50.622 61.721 -45.817 1.00 0.00 H new ATOM 0 HB ILE A 52 52.673 60.512 -47.720 1.00 0.00 H new ATOM 0 HG12 ILE A 52 52.663 62.923 -48.067 1.00 0.00 H new ATOM 0 HG13 ILE A 52 51.727 62.199 -49.359 1.00 0.00 H new ATOM 0 HG21 ILE A 52 50.659 60.016 -49.093 1.00 0.00 H new ATOM 0 HG22 ILE A 52 50.553 59.240 -47.495 1.00 0.00 H new ATOM 0 HG23 ILE A 52 49.626 60.722 -47.827 1.00 0.00 H new ATOM 0 HD11 ILE A 52 50.543 64.157 -48.410 1.00 0.00 H new ATOM 0 HD12 ILE A 52 49.620 62.665 -48.112 1.00 0.00 H new ATOM 0 HD13 ILE A 52 50.570 63.400 -46.800 1.00 0.00 H new ATOM 820 N LYS A 53 50.698 59.474 -44.665 1.00 0.00 N ATOM 821 CA LYS A 53 50.826 58.200 -43.886 1.00 0.00 C ATOM 822 C LYS A 53 49.484 57.493 -43.643 1.00 0.00 C ATOM 823 O LYS A 53 48.423 57.990 -43.980 1.00 0.00 O ATOM 824 CB LYS A 53 51.426 58.532 -42.524 1.00 0.00 C ATOM 825 CG LYS A 53 50.692 59.716 -41.898 1.00 0.00 C ATOM 826 CD LYS A 53 50.765 59.599 -40.376 1.00 0.00 C ATOM 827 CE LYS A 53 50.866 60.986 -39.745 1.00 0.00 C ATOM 828 NZ LYS A 53 50.874 60.828 -38.264 1.00 0.00 N ATOM 0 H LYS A 53 49.765 59.886 -44.683 1.00 0.00 H new ATOM 0 HA LYS A 53 51.451 57.528 -44.474 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.358 57.665 -41.868 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.485 58.767 -42.633 1.00 0.00 H new ATOM 0 HG2 LYS A 53 51.142 60.653 -42.225 1.00 0.00 H new ATOM 0 HG3 LYS A 53 49.652 59.730 -42.225 1.00 0.00 H new ATOM 0 HD2 LYS A 53 49.881 59.084 -40.001 1.00 0.00 H new ATOM 0 HD3 LYS A 53 51.629 58.998 -40.091 1.00 0.00 H new ATOM 0 HE2 LYS A 53 51.774 61.489 -40.078 1.00 0.00 H new ATOM 0 HE3 LYS A 53 50.025 61.606 -40.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 51.144 61.729 -37.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 49.925 60.553 -37.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 51.558 60.092 -37.997 1.00 0.00 H new ATOM 842 N THR A 54 49.557 56.336 -43.002 1.00 0.00 N ATOM 843 CA THR A 54 48.341 55.527 -42.634 1.00 0.00 C ATOM 844 C THR A 54 47.626 54.959 -43.869 1.00 0.00 C ATOM 845 O THR A 54 47.813 55.407 -44.987 1.00 0.00 O ATOM 846 CB THR A 54 47.361 56.374 -41.800 1.00 0.00 C ATOM 847 OG1 THR A 54 46.602 57.233 -42.645 1.00 0.00 O ATOM 848 CG2 THR A 54 48.143 57.211 -40.787 1.00 0.00 C ATOM 0 H THR A 54 50.438 55.911 -42.712 1.00 0.00 H new ATOM 0 HA THR A 54 48.687 54.683 -42.037 1.00 0.00 H new ATOM 0 HB THR A 54 46.678 55.706 -41.275 1.00 0.00 H new ATOM 0 HG1 THR A 54 47.117 57.434 -43.455 1.00 0.00 H new ATOM 0 HG21 THR A 54 47.449 57.810 -40.197 1.00 0.00 H new ATOM 0 HG22 THR A 54 48.705 56.551 -40.126 1.00 0.00 H new ATOM 0 HG23 THR A 54 48.833 57.869 -41.315 1.00 0.00 H new ATOM 856 N ASN A 55 46.804 53.958 -43.645 1.00 0.00 N ATOM 857 CA ASN A 55 46.039 53.308 -44.753 1.00 0.00 C ATOM 858 C ASN A 55 46.998 52.746 -45.819 1.00 0.00 C ATOM 859 O ASN A 55 46.868 53.035 -46.992 1.00 0.00 O ATOM 860 CB ASN A 55 45.078 54.329 -45.379 1.00 0.00 C ATOM 861 CG ASN A 55 43.988 53.596 -46.166 1.00 0.00 C ATOM 862 OD1 ASN A 55 43.947 53.666 -47.374 1.00 0.00 O ATOM 863 ND2 ASN A 55 43.097 52.889 -45.531 1.00 0.00 N ATOM 0 H ASN A 55 46.630 53.559 -42.722 1.00 0.00 H new ATOM 0 HA ASN A 55 45.463 52.476 -44.347 1.00 0.00 H new ATOM 0 HB2 ASN A 55 44.627 54.943 -44.600 1.00 0.00 H new ATOM 0 HB3 ASN A 55 45.626 55.002 -46.038 1.00 0.00 H new ATOM 0 HD21 ASN A 55 42.370 52.398 -46.051 1.00 0.00 H new ATOM 0 HD22 ASN A 55 43.126 52.826 -44.513 1.00 0.00 H new ATOM 870 N ALA A 56 47.956 51.940 -45.415 1.00 0.00 N ATOM 871 CA ALA A 56 48.922 51.330 -46.395 1.00 0.00 C ATOM 872 C ALA A 56 49.954 52.360 -46.870 1.00 0.00 C ATOM 873 O ALA A 56 51.144 52.143 -46.756 1.00 0.00 O ATOM 874 CB ALA A 56 48.149 50.796 -47.610 1.00 0.00 C ATOM 0 H ALA A 56 48.112 51.676 -44.442 1.00 0.00 H new ATOM 0 HA ALA A 56 49.448 50.517 -45.894 1.00 0.00 H new ATOM 0 HB1 ALA A 56 48.848 50.354 -48.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 47.436 50.039 -47.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 47.614 51.616 -48.090 1.00 0.00 H new ATOM 880 N CYS A 57 49.500 53.464 -47.422 1.00 0.00 N ATOM 881 CA CYS A 57 50.439 54.518 -47.937 1.00 0.00 C ATOM 882 C CYS A 57 51.155 53.998 -49.204 1.00 0.00 C ATOM 883 O CYS A 57 52.236 54.435 -49.549 1.00 0.00 O ATOM 884 CB CYS A 57 51.451 54.872 -46.839 1.00 0.00 C ATOM 885 SG CYS A 57 52.605 56.133 -47.430 1.00 0.00 S ATOM 0 H CYS A 57 48.510 53.682 -47.539 1.00 0.00 H new ATOM 0 HA CYS A 57 49.884 55.418 -48.203 1.00 0.00 H new ATOM 0 HB2 CYS A 57 50.926 55.235 -45.955 1.00 0.00 H new ATOM 0 HB3 CYS A 57 52.000 53.979 -46.539 1.00 0.00 H new ATOM 890 N HIS A 58 50.536 53.073 -49.906 1.00 0.00 N ATOM 891 CA HIS A 58 51.141 52.516 -51.157 1.00 0.00 C ATOM 892 C HIS A 58 50.014 51.986 -52.056 1.00 0.00 C ATOM 893 O HIS A 58 49.296 51.081 -51.675 1.00 0.00 O ATOM 894 CB HIS A 58 52.096 51.370 -50.792 1.00 0.00 C ATOM 895 CG HIS A 58 53.520 51.786 -51.045 1.00 0.00 C ATOM 896 ND1 HIS A 58 54.198 51.433 -52.201 1.00 0.00 N ATOM 897 CD2 HIS A 58 54.410 52.519 -50.299 1.00 0.00 C ATOM 898 CE1 HIS A 58 55.439 51.948 -52.117 1.00 0.00 C ATOM 899 NE2 HIS A 58 55.620 52.620 -50.977 1.00 0.00 N ATOM 0 H HIS A 58 49.628 52.678 -49.660 1.00 0.00 H new ATOM 0 HA HIS A 58 51.697 53.292 -51.683 1.00 0.00 H new ATOM 0 HB2 HIS A 58 51.968 51.099 -49.744 1.00 0.00 H new ATOM 0 HB3 HIS A 58 51.857 50.485 -51.381 1.00 0.00 H new ATOM 0 HD2 HIS A 58 54.202 52.952 -49.332 1.00 0.00 H new ATOM 0 HE1 HIS A 58 56.196 51.832 -52.879 1.00 0.00 H new ATOM 0 HE2 HIS A 58 56.464 53.103 -50.670 1.00 0.00 H new ATOM 907 N ASN A 59 49.840 52.561 -53.231 1.00 0.00 N ATOM 908 CA ASN A 59 48.736 52.113 -54.148 1.00 0.00 C ATOM 909 C ASN A 59 47.395 52.260 -53.406 1.00 0.00 C ATOM 910 O ASN A 59 46.881 51.317 -52.827 1.00 0.00 O ATOM 911 CB ASN A 59 48.970 50.652 -54.559 1.00 0.00 C ATOM 912 CG ASN A 59 48.024 50.282 -55.701 1.00 0.00 C ATOM 913 OD1 ASN A 59 48.095 50.846 -56.773 1.00 0.00 O ATOM 914 ND2 ASN A 59 47.131 49.357 -55.517 1.00 0.00 N ATOM 0 H ASN A 59 50.416 53.321 -53.592 1.00 0.00 H new ATOM 0 HA ASN A 59 48.719 52.724 -55.051 1.00 0.00 H new ATOM 0 HB2 ASN A 59 50.005 50.513 -54.871 1.00 0.00 H new ATOM 0 HB3 ASN A 59 48.803 49.993 -53.707 1.00 0.00 H new ATOM 0 HD21 ASN A 59 46.493 49.107 -56.272 1.00 0.00 H new ATOM 0 HD22 ASN A 59 47.068 48.881 -54.617 1.00 0.00 H new ATOM 921 N GLY A 60 46.850 53.454 -53.388 1.00 0.00 N ATOM 922 CA GLY A 60 45.573 53.695 -52.646 1.00 0.00 C ATOM 923 C GLY A 60 45.907 53.705 -51.155 1.00 0.00 C ATOM 924 O GLY A 60 45.535 52.811 -50.421 1.00 0.00 O ATOM 0 H GLY A 60 47.237 54.273 -53.857 1.00 0.00 H new ATOM 0 HA2 GLY A 60 45.128 54.644 -52.946 1.00 0.00 H new ATOM 0 HA3 GLY A 60 44.845 52.916 -52.871 1.00 0.00 H new ATOM 928 N GLY A 61 46.644 54.700 -50.715 1.00 0.00 N ATOM 929 CA GLY A 61 47.054 54.765 -49.278 1.00 0.00 C ATOM 930 C GLY A 61 46.887 56.183 -48.722 1.00 0.00 C ATOM 931 O GLY A 61 46.378 57.065 -49.389 1.00 0.00 O ATOM 0 H GLY A 61 46.979 55.471 -51.293 1.00 0.00 H new ATOM 0 HA2 GLY A 61 46.453 54.068 -48.693 1.00 0.00 H new ATOM 0 HA3 GLY A 61 48.093 54.452 -49.178 1.00 0.00 H new ATOM 935 N GLY A 62 47.320 56.406 -47.498 1.00 0.00 N ATOM 936 CA GLY A 62 47.197 57.764 -46.877 1.00 0.00 C ATOM 937 C GLY A 62 45.717 58.096 -46.689 1.00 0.00 C ATOM 938 O GLY A 62 45.075 58.613 -47.582 1.00 0.00 O ATOM 0 H GLY A 62 47.755 55.701 -46.903 1.00 0.00 H new ATOM 0 HA2 GLY A 62 47.712 57.786 -45.917 1.00 0.00 H new ATOM 0 HA3 GLY A 62 47.673 58.512 -47.511 1.00 0.00 H new ATOM 942 N PHE A 63 45.159 57.781 -45.547 1.00 0.00 N ATOM 943 CA PHE A 63 43.706 58.056 -45.334 1.00 0.00 C ATOM 944 C PHE A 63 43.488 59.365 -44.550 1.00 0.00 C ATOM 945 O PHE A 63 43.215 60.395 -45.138 1.00 0.00 O ATOM 946 CB PHE A 63 43.068 56.875 -44.587 1.00 0.00 C ATOM 947 CG PHE A 63 41.586 57.120 -44.406 1.00 0.00 C ATOM 948 CD1 PHE A 63 40.762 57.293 -45.525 1.00 0.00 C ATOM 949 CD2 PHE A 63 41.037 57.178 -43.119 1.00 0.00 C ATOM 950 CE1 PHE A 63 39.392 57.522 -45.358 1.00 0.00 C ATOM 951 CE2 PHE A 63 39.665 57.408 -42.952 1.00 0.00 C ATOM 952 CZ PHE A 63 38.844 57.581 -44.072 1.00 0.00 C ATOM 0 H PHE A 63 45.642 57.349 -44.759 1.00 0.00 H new ATOM 0 HA PHE A 63 43.231 58.174 -46.308 1.00 0.00 H new ATOM 0 HB2 PHE A 63 43.227 55.952 -45.145 1.00 0.00 H new ATOM 0 HB3 PHE A 63 43.546 56.747 -43.616 1.00 0.00 H new ATOM 0 HD1 PHE A 63 41.185 57.250 -46.518 1.00 0.00 H new ATOM 0 HD2 PHE A 63 41.671 57.045 -42.255 1.00 0.00 H new ATOM 0 HE1 PHE A 63 38.757 57.653 -46.222 1.00 0.00 H new ATOM 0 HE2 PHE A 63 39.241 57.452 -41.960 1.00 0.00 H new ATOM 0 HZ PHE A 63 37.787 57.760 -43.944 1.00 0.00 H new ATOM 962 N SER A 64 43.566 59.338 -43.233 1.00 0.00 N ATOM 963 CA SER A 64 43.305 60.593 -42.454 1.00 0.00 C ATOM 964 C SER A 64 44.488 61.007 -41.571 1.00 0.00 C ATOM 965 O SER A 64 44.292 61.495 -40.476 1.00 0.00 O ATOM 966 CB SER A 64 42.056 60.398 -41.583 1.00 0.00 C ATOM 967 OG SER A 64 41.441 61.667 -41.344 1.00 0.00 O ATOM 0 H SER A 64 43.795 58.515 -42.676 1.00 0.00 H new ATOM 0 HA SER A 64 43.152 61.395 -43.176 1.00 0.00 H new ATOM 0 HB2 SER A 64 41.354 59.729 -42.080 1.00 0.00 H new ATOM 0 HB3 SER A 64 42.328 59.929 -40.637 1.00 0.00 H new ATOM 0 HG SER A 64 42.093 62.275 -40.937 1.00 0.00 H new ATOM 973 N GLU A 65 45.710 60.860 -42.027 1.00 0.00 N ATOM 974 CA GLU A 65 46.854 61.304 -41.187 1.00 0.00 C ATOM 975 C GLU A 65 47.882 62.000 -42.080 1.00 0.00 C ATOM 976 O GLU A 65 48.623 61.364 -42.810 1.00 0.00 O ATOM 977 CB GLU A 65 47.466 60.101 -40.485 1.00 0.00 C ATOM 978 CG GLU A 65 46.665 59.812 -39.208 1.00 0.00 C ATOM 979 CD GLU A 65 47.394 60.382 -37.984 1.00 0.00 C ATOM 980 OE1 GLU A 65 48.568 60.077 -37.810 1.00 0.00 O ATOM 981 OE2 GLU A 65 46.768 61.114 -37.238 1.00 0.00 O ATOM 0 H GLU A 65 45.957 60.457 -42.931 1.00 0.00 H new ATOM 0 HA GLU A 65 46.516 62.007 -40.425 1.00 0.00 H new ATOM 0 HB2 GLU A 65 47.452 59.233 -41.144 1.00 0.00 H new ATOM 0 HB3 GLU A 65 48.509 60.298 -40.239 1.00 0.00 H new ATOM 0 HG2 GLU A 65 45.671 60.253 -39.286 1.00 0.00 H new ATOM 0 HG3 GLU A 65 46.529 58.737 -39.091 1.00 0.00 H new ATOM 988 N VAL A 66 47.916 63.310 -42.041 1.00 0.00 N ATOM 989 CA VAL A 66 48.887 64.061 -42.899 1.00 0.00 C ATOM 990 C VAL A 66 49.369 65.314 -42.161 1.00 0.00 C ATOM 991 O VAL A 66 48.588 66.033 -41.573 1.00 0.00 O ATOM 992 CB VAL A 66 48.221 64.457 -44.230 1.00 0.00 C ATOM 993 CG1 VAL A 66 49.121 65.422 -45.005 1.00 0.00 C ATOM 994 CG2 VAL A 66 47.994 63.208 -45.086 1.00 0.00 C ATOM 0 H VAL A 66 47.316 63.890 -41.455 1.00 0.00 H new ATOM 0 HA VAL A 66 49.743 63.420 -43.112 1.00 0.00 H new ATOM 0 HB VAL A 66 47.269 64.940 -44.010 1.00 0.00 H new ATOM 0 HG11 VAL A 66 48.639 65.694 -45.944 1.00 0.00 H new ATOM 0 HG12 VAL A 66 49.290 66.320 -44.410 1.00 0.00 H new ATOM 0 HG13 VAL A 66 50.076 64.940 -45.214 1.00 0.00 H new ATOM 0 HG21 VAL A 66 47.523 63.492 -46.027 1.00 0.00 H new ATOM 0 HG22 VAL A 66 48.951 62.728 -45.290 1.00 0.00 H new ATOM 0 HG23 VAL A 66 47.346 62.513 -44.551 1.00 0.00 H new ATOM 1004 N ILE A 67 50.653 65.582 -42.192 1.00 0.00 N ATOM 1005 CA ILE A 67 51.182 66.798 -41.483 1.00 0.00 C ATOM 1006 C ILE A 67 51.502 67.901 -42.489 1.00 0.00 C ATOM 1007 O ILE A 67 52.282 67.713 -43.391 1.00 0.00 O ATOM 1008 CB ILE A 67 52.429 66.443 -40.681 1.00 0.00 C ATOM 1009 CG1 ILE A 67 52.001 65.626 -39.478 1.00 0.00 C ATOM 1010 CG2 ILE A 67 53.106 67.721 -40.190 1.00 0.00 C ATOM 1011 CD1 ILE A 67 52.784 64.314 -39.437 1.00 0.00 C ATOM 0 H ILE A 67 51.355 65.019 -42.672 1.00 0.00 H new ATOM 0 HA ILE A 67 50.416 67.160 -40.798 1.00 0.00 H new ATOM 0 HB ILE A 67 53.125 65.881 -41.305 1.00 0.00 H new ATOM 0 HG12 ILE A 67 52.174 66.192 -38.563 1.00 0.00 H new ATOM 0 HG13 ILE A 67 50.932 65.420 -39.528 1.00 0.00 H new ATOM 0 HG21 ILE A 67 53.997 67.464 -39.617 1.00 0.00 H new ATOM 0 HG22 ILE A 67 53.389 68.334 -41.045 1.00 0.00 H new ATOM 0 HG23 ILE A 67 52.416 68.278 -39.557 1.00 0.00 H new ATOM 0 HD11 ILE A 67 52.472 63.731 -38.570 1.00 0.00 H new ATOM 0 HD12 ILE A 67 52.589 63.745 -40.346 1.00 0.00 H new ATOM 0 HD13 ILE A 67 53.850 64.529 -39.365 1.00 0.00 H new ATOM 1023 N PHE A 68 50.884 69.045 -42.339 1.00 0.00 N ATOM 1024 CA PHE A 68 51.107 70.173 -43.305 1.00 0.00 C ATOM 1025 C PHE A 68 52.513 70.759 -43.198 1.00 0.00 C ATOM 1026 O PHE A 68 53.087 70.840 -42.114 1.00 0.00 O ATOM 1027 CB PHE A 68 50.092 71.294 -43.060 1.00 0.00 C ATOM 1028 CG PHE A 68 48.707 70.715 -42.901 1.00 0.00 C ATOM 1029 CD1 PHE A 68 48.416 69.436 -43.388 1.00 0.00 C ATOM 1030 CD2 PHE A 68 47.722 71.454 -42.249 1.00 0.00 C ATOM 1031 CE1 PHE A 68 47.146 68.897 -43.223 1.00 0.00 C ATOM 1032 CE2 PHE A 68 46.445 70.919 -42.083 1.00 0.00 C ATOM 1033 CZ PHE A 68 46.153 69.638 -42.570 1.00 0.00 C ATOM 0 H PHE A 68 50.229 69.251 -41.585 1.00 0.00 H new ATOM 0 HA PHE A 68 50.981 69.756 -44.304 1.00 0.00 H new ATOM 0 HB2 PHE A 68 50.365 71.853 -42.165 1.00 0.00 H new ATOM 0 HB3 PHE A 68 50.107 71.997 -43.893 1.00 0.00 H new ATOM 0 HD1 PHE A 68 49.181 68.866 -43.894 1.00 0.00 H new ATOM 0 HD2 PHE A 68 47.947 72.441 -41.872 1.00 0.00 H new ATOM 0 HE1 PHE A 68 46.925 67.908 -43.598 1.00 0.00 H new ATOM 0 HE2 PHE A 68 45.681 71.492 -41.579 1.00 0.00 H new ATOM 0 HZ PHE A 68 45.164 69.223 -42.442 1.00 0.00 H new ATOM 1043 N ARG A 69 53.013 71.188 -44.353 1.00 0.00 N ATOM 1044 CA ARG A 69 54.365 71.834 -44.512 1.00 0.00 C ATOM 1045 C ARG A 69 54.893 71.589 -45.957 1.00 0.00 C ATOM 1046 O ARG A 69 54.190 70.969 -46.750 1.00 0.00 O ATOM 1047 CB ARG A 69 55.373 71.285 -43.490 1.00 0.00 C ATOM 1048 CG ARG A 69 55.582 72.295 -42.338 1.00 0.00 C ATOM 1049 CD ARG A 69 55.589 73.750 -42.846 1.00 0.00 C ATOM 1050 NE ARG A 69 56.432 73.877 -44.069 1.00 0.00 N ATOM 1051 CZ ARG A 69 57.677 73.534 -44.044 1.00 0.00 C ATOM 1052 NH1 ARG A 69 58.476 74.033 -43.149 1.00 0.00 N ATOM 1053 NH2 ARG A 69 58.107 72.677 -44.909 1.00 0.00 N ATOM 1054 OXT ARG A 69 55.990 72.043 -46.258 1.00 0.00 O ATOM 0 H ARG A 69 52.504 71.108 -45.233 1.00 0.00 H new ATOM 0 HA ARG A 69 54.254 72.904 -44.334 1.00 0.00 H new ATOM 0 HB2 ARG A 69 55.014 70.337 -43.089 1.00 0.00 H new ATOM 0 HB3 ARG A 69 56.325 71.083 -43.982 1.00 0.00 H new ATOM 0 HG2 ARG A 69 54.790 72.172 -41.599 1.00 0.00 H new ATOM 0 HG3 ARG A 69 56.525 72.081 -41.834 1.00 0.00 H new ATOM 0 HD2 ARG A 69 54.570 74.069 -43.066 1.00 0.00 H new ATOM 0 HD3 ARG A 69 55.968 74.411 -42.067 1.00 0.00 H new ATOM 0 HE ARG A 69 56.023 74.237 -44.931 1.00 0.00 H new ATOM 0 HH11 ARG A 69 58.121 74.698 -42.462 1.00 0.00 H new ATOM 0 HH12 ARG A 69 59.458 73.759 -43.133 1.00 0.00 H new ATOM 0 HH21 ARG A 69 57.466 72.282 -45.598 1.00 0.00 H new ATOM 0 HH22 ARG A 69 59.087 72.395 -44.904 1.00 0.00 H new