USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 921 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 107 ASN :FLIP amide:sc= -0.0343 F(o=-1.1,f=-0.52) USER MOD Set 1.2: A 108 THR OG1 : rot 83:sc= -0.484 USER MOD Set 2.1: A 82 MET CE :methyl -174:sc= -8.83! (180deg=-6.16!) USER MOD Set 2.2: A 84 THR OG1 : rot -150:sc= -2.87! USER MOD Set 3.1: A 76 LYS NZ :NH3+ -149:sc= -0.182 (180deg=-0.692) USER MOD Set 3.2: A 77 TYR OH : rot 0:sc= 0.624 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 53:sc= -5.99! USER MOD Single : A 12 HIS : no HE2:sc= -7.03! C(o=-7!,f=-8.9!) USER MOD Single : A 13 ASN : amide:sc= -9.01! C(o=-9!,f=-24!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.89) USER MOD Single : A 21 MET CE :methyl -161:sc= -3.67! (180deg=-6.68!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= -0.936 (180deg=-1.06) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.643 F(o=-3!,f=-0.64) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -12! C(o=-12!,f=-17!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -8.64! C(o=-10!,f=-8.6!) USER MOD Single : A 116 THR OG1 : rot -66:sc= 1.09 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.221 -0.172 -0.645 1.00 13.30 N ATOM 2 CA MET A 1 2.001 -0.131 -1.876 1.00 62.01 C ATOM 3 C MET A 1 1.520 0.993 -2.788 1.00 74.33 C ATOM 4 O MET A 1 0.563 0.824 -3.544 1.00 43.22 O ATOM 5 CB MET A 1 1.910 -1.472 -2.607 1.00 42.34 C ATOM 6 CG MET A 1 3.030 -2.436 -2.251 1.00 43.40 C ATOM 7 SD MET A 1 3.732 -3.251 -3.698 1.00 75.22 S ATOM 8 CE MET A 1 5.483 -3.042 -3.389 1.00 43.54 C ATOM 0 H1 MET A 1 1.567 -0.945 -0.041 1.00 13.30 H new ATOM 0 H2 MET A 1 1.320 0.732 -0.141 1.00 13.30 H new ATOM 0 H3 MET A 1 0.219 -0.333 -0.874 1.00 13.30 H new ATOM 0 HA MET A 1 3.041 0.061 -1.612 1.00 62.01 H new ATOM 0 HB2 MET A 1 0.953 -1.939 -2.375 1.00 42.34 H new ATOM 0 HB3 MET A 1 1.925 -1.292 -3.682 1.00 42.34 H new ATOM 0 HG2 MET A 1 3.817 -1.894 -1.726 1.00 43.40 H new ATOM 0 HG3 MET A 1 2.649 -3.191 -1.563 1.00 43.40 H new ATOM 0 HE1 MET A 1 6.052 -3.496 -4.200 1.00 43.54 H new ATOM 0 HE2 MET A 1 5.718 -1.979 -3.331 1.00 43.54 H new ATOM 0 HE3 MET A 1 5.746 -3.524 -2.447 1.00 43.54 H new ATOM 18 N ALA A 2 2.188 2.139 -2.712 1.00 22.33 N ATOM 19 CA ALA A 2 1.829 3.289 -3.532 1.00 30.03 C ATOM 20 C ALA A 2 2.830 3.490 -4.664 1.00 70.34 C ATOM 21 O ALA A 2 2.536 4.159 -5.654 1.00 55.02 O ATOM 22 CB ALA A 2 1.742 4.542 -2.674 1.00 13.35 C ATOM 0 H ALA A 2 2.981 2.296 -2.090 1.00 22.33 H new ATOM 0 HA ALA A 2 0.852 3.097 -3.976 1.00 30.03 H new ATOM 0 HB1 ALA A 2 1.473 5.393 -3.299 1.00 13.35 H new ATOM 0 HB2 ALA A 2 0.983 4.404 -1.904 1.00 13.35 H new ATOM 0 HB3 ALA A 2 2.707 4.728 -2.203 1.00 13.35 H new ATOM 28 N ALA A 3 4.014 2.906 -4.512 1.00 3.34 N ATOM 29 CA ALA A 3 5.058 3.020 -5.523 1.00 1.45 C ATOM 30 C ALA A 3 5.002 4.376 -6.219 1.00 73.44 C ATOM 31 O ALA A 3 5.196 4.469 -7.431 1.00 33.41 O ATOM 32 CB ALA A 3 4.933 1.896 -6.540 1.00 32.01 C ATOM 0 H ALA A 3 4.274 2.349 -3.698 1.00 3.34 H new ATOM 0 HA ALA A 3 6.024 2.937 -5.024 1.00 1.45 H new ATOM 0 HB1 ALA A 3 5.719 1.994 -7.289 1.00 32.01 H new ATOM 0 HB2 ALA A 3 5.031 0.935 -6.034 1.00 32.01 H new ATOM 0 HB3 ALA A 3 3.959 1.952 -7.027 1.00 32.01 H new ATOM 38 N GLU A 4 4.734 5.423 -5.446 1.00 3.12 N ATOM 39 CA GLU A 4 4.651 6.773 -5.991 1.00 20.01 C ATOM 40 C GLU A 4 3.563 6.863 -7.057 1.00 11.11 C ATOM 41 O GLU A 4 3.818 6.635 -8.239 1.00 31.12 O ATOM 42 CB GLU A 4 5.998 7.191 -6.585 1.00 12.14 C ATOM 43 CG GLU A 4 5.942 8.495 -7.362 1.00 53.32 C ATOM 44 CD GLU A 4 7.046 8.606 -8.396 1.00 13.43 C ATOM 45 OE1 GLU A 4 7.127 7.723 -9.275 1.00 3.42 O ATOM 46 OE2 GLU A 4 7.828 9.577 -8.325 1.00 1.31 O ATOM 0 H GLU A 4 4.571 5.363 -4.441 1.00 3.12 H new ATOM 0 HA GLU A 4 4.395 7.451 -5.177 1.00 20.01 H new ATOM 0 HB2 GLU A 4 6.726 7.289 -5.780 1.00 12.14 H new ATOM 0 HB3 GLU A 4 6.356 6.400 -7.244 1.00 12.14 H new ATOM 0 HG2 GLU A 4 4.975 8.577 -7.858 1.00 53.32 H new ATOM 0 HG3 GLU A 4 6.015 9.331 -6.667 1.00 53.32 H new ATOM 53 N GLU A 5 2.349 7.197 -6.629 1.00 23.22 N ATOM 54 CA GLU A 5 1.222 7.315 -7.546 1.00 42.53 C ATOM 55 C GLU A 5 1.107 8.739 -8.085 1.00 34.43 C ATOM 56 O GLU A 5 2.080 9.491 -8.096 1.00 30.22 O ATOM 57 CB GLU A 5 -0.078 6.916 -6.846 1.00 13.20 C ATOM 58 CG GLU A 5 0.088 5.772 -5.860 1.00 73.02 C ATOM 59 CD GLU A 5 0.147 4.419 -6.542 1.00 21.33 C ATOM 60 OE1 GLU A 5 0.768 4.324 -7.621 1.00 54.11 O ATOM 61 OE2 GLU A 5 -0.427 3.454 -5.995 1.00 33.13 O ATOM 0 H GLU A 5 2.122 7.390 -5.654 1.00 23.22 H new ATOM 0 HA GLU A 5 1.396 6.640 -8.384 1.00 42.53 H new ATOM 0 HB2 GLU A 5 -0.478 7.783 -6.320 1.00 13.20 H new ATOM 0 HB3 GLU A 5 -0.814 6.632 -7.599 1.00 13.20 H new ATOM 0 HG2 GLU A 5 1.000 5.924 -5.283 1.00 73.02 H new ATOM 0 HG3 GLU A 5 -0.742 5.783 -5.153 1.00 73.02 H new ATOM 68 N GLY A 6 -0.092 9.101 -8.532 1.00 34.44 N ATOM 69 CA GLY A 6 -0.314 10.431 -9.066 1.00 51.51 C ATOM 70 C GLY A 6 -0.602 11.451 -7.982 1.00 50.10 C ATOM 71 O GLY A 6 -1.304 12.435 -8.216 1.00 4.42 O ATOM 0 H GLY A 6 -0.913 8.496 -8.534 1.00 34.44 H new ATOM 0 HA2 GLY A 6 0.564 10.744 -9.631 1.00 51.51 H new ATOM 0 HA3 GLY A 6 -1.149 10.403 -9.766 1.00 51.51 H new ATOM 75 N VAL A 7 -0.061 11.215 -6.791 1.00 44.41 N ATOM 76 CA VAL A 7 -0.264 12.121 -5.666 1.00 64.43 C ATOM 77 C VAL A 7 1.007 12.904 -5.355 1.00 32.31 C ATOM 78 O VAL A 7 2.052 12.680 -5.965 1.00 24.41 O ATOM 79 CB VAL A 7 -0.705 11.357 -4.404 1.00 33.12 C ATOM 80 CG1 VAL A 7 -1.601 10.185 -4.775 1.00 30.25 C ATOM 81 CG2 VAL A 7 0.507 10.884 -3.616 1.00 63.34 C ATOM 0 H VAL A 7 0.521 10.404 -6.580 1.00 44.41 H new ATOM 0 HA VAL A 7 -1.053 12.815 -5.956 1.00 64.43 H new ATOM 0 HB VAL A 7 -1.278 12.035 -3.772 1.00 33.12 H new ATOM 0 HG11 VAL A 7 -1.903 9.657 -3.870 1.00 30.25 H new ATOM 0 HG12 VAL A 7 -2.487 10.554 -5.292 1.00 30.25 H new ATOM 0 HG13 VAL A 7 -1.057 9.503 -5.428 1.00 30.25 H new ATOM 0 HG21 VAL A 7 0.176 10.346 -2.728 1.00 63.34 H new ATOM 0 HG22 VAL A 7 1.109 10.222 -4.238 1.00 63.34 H new ATOM 0 HG23 VAL A 7 1.105 11.745 -3.317 1.00 63.34 H new ATOM 91 N VAL A 8 0.909 13.824 -4.401 1.00 23.14 N ATOM 92 CA VAL A 8 2.051 14.640 -4.006 1.00 42.11 C ATOM 93 C VAL A 8 3.263 13.772 -3.687 1.00 43.04 C ATOM 94 O VAL A 8 3.390 13.247 -2.581 1.00 14.13 O ATOM 95 CB VAL A 8 1.721 15.512 -2.780 1.00 22.21 C ATOM 96 CG1 VAL A 8 0.529 16.412 -3.069 1.00 64.54 C ATOM 97 CG2 VAL A 8 1.458 14.639 -1.562 1.00 13.41 C ATOM 0 H VAL A 8 0.051 14.023 -3.887 1.00 23.14 H new ATOM 0 HA VAL A 8 2.284 15.288 -4.851 1.00 42.11 H new ATOM 0 HB VAL A 8 2.580 16.147 -2.565 1.00 22.21 H new ATOM 0 HG11 VAL A 8 0.311 17.020 -2.191 1.00 64.54 H new ATOM 0 HG12 VAL A 8 0.760 17.062 -3.913 1.00 64.54 H new ATOM 0 HG13 VAL A 8 -0.340 15.799 -3.310 1.00 64.54 H new ATOM 0 HG21 VAL A 8 1.226 15.271 -0.705 1.00 13.41 H new ATOM 0 HG22 VAL A 8 0.615 13.978 -1.763 1.00 13.41 H new ATOM 0 HG23 VAL A 8 2.344 14.042 -1.344 1.00 13.41 H new ATOM 107 N ILE A 9 4.152 13.626 -4.664 1.00 24.32 N ATOM 108 CA ILE A 9 5.356 12.822 -4.487 1.00 13.44 C ATOM 109 C ILE A 9 6.024 13.121 -3.149 1.00 42.40 C ATOM 110 O ILE A 9 5.678 14.090 -2.473 1.00 61.14 O ATOM 111 CB ILE A 9 6.369 13.068 -5.620 1.00 53.03 C ATOM 112 CG1 ILE A 9 5.673 12.989 -6.981 1.00 4.10 C ATOM 113 CG2 ILE A 9 7.506 12.061 -5.542 1.00 23.05 C ATOM 114 CD1 ILE A 9 4.846 11.737 -7.165 1.00 35.53 C ATOM 0 H ILE A 9 4.062 14.053 -5.586 1.00 24.32 H new ATOM 0 HA ILE A 9 5.045 11.778 -4.510 1.00 13.44 H new ATOM 0 HB ILE A 9 6.787 14.068 -5.503 1.00 53.03 H new ATOM 0 HG12 ILE A 9 5.030 13.861 -7.102 1.00 4.10 H new ATOM 0 HG13 ILE A 9 6.426 13.036 -7.768 1.00 4.10 H new ATOM 0 HG21 ILE A 9 8.214 12.248 -6.350 1.00 23.05 H new ATOM 0 HG22 ILE A 9 8.015 12.160 -4.583 1.00 23.05 H new ATOM 0 HG23 ILE A 9 7.105 11.052 -5.637 1.00 23.05 H new ATOM 0 HD11 ILE A 9 4.382 11.749 -8.151 1.00 35.53 H new ATOM 0 HD12 ILE A 9 5.488 10.861 -7.076 1.00 35.53 H new ATOM 0 HD13 ILE A 9 4.070 11.698 -6.400 1.00 35.53 H new ATOM 126 N ALA A 10 6.985 12.284 -2.774 1.00 24.22 N ATOM 127 CA ALA A 10 7.706 12.460 -1.519 1.00 13.50 C ATOM 128 C ALA A 10 9.169 12.058 -1.665 1.00 22.33 C ATOM 129 O ALA A 10 9.582 11.000 -1.187 1.00 42.14 O ATOM 130 CB ALA A 10 7.042 11.655 -0.412 1.00 23.13 C ATOM 0 H ALA A 10 7.283 11.477 -3.322 1.00 24.22 H new ATOM 0 HA ALA A 10 7.673 13.517 -1.254 1.00 13.50 H new ATOM 0 HB1 ALA A 10 7.591 11.796 0.519 1.00 23.13 H new ATOM 0 HB2 ALA A 10 6.014 11.994 -0.282 1.00 23.13 H new ATOM 0 HB3 ALA A 10 7.045 10.598 -0.679 1.00 23.13 H new ATOM 136 N CYS A 11 9.948 12.906 -2.327 1.00 21.14 N ATOM 137 CA CYS A 11 11.366 12.637 -2.536 1.00 44.15 C ATOM 138 C CYS A 11 12.135 12.718 -1.222 1.00 24.12 C ATOM 139 O CYS A 11 11.626 13.226 -0.223 1.00 0.54 O ATOM 140 CB CYS A 11 11.951 13.627 -3.545 1.00 13.52 C ATOM 141 SG CYS A 11 12.210 15.289 -2.882 1.00 1.53 S ATOM 0 H CYS A 11 9.622 13.785 -2.728 1.00 21.14 H new ATOM 0 HA CYS A 11 11.464 11.626 -2.931 1.00 44.15 H new ATOM 0 HB2 CYS A 11 12.903 13.240 -3.908 1.00 13.52 H new ATOM 0 HB3 CYS A 11 11.284 13.690 -4.405 1.00 13.52 H new ATOM 0 HG CYS A 11 12.913 15.216 -1.791 1.00 1.53 H new ATOM 147 N HIS A 12 13.364 12.211 -1.229 1.00 44.40 N ATOM 148 CA HIS A 12 14.204 12.225 -0.036 1.00 51.24 C ATOM 149 C HIS A 12 15.664 11.968 -0.397 1.00 31.43 C ATOM 150 O HIS A 12 16.392 11.318 0.352 1.00 65.11 O ATOM 151 CB HIS A 12 13.721 11.176 0.965 1.00 31.22 C ATOM 152 CG HIS A 12 12.350 11.448 1.504 1.00 41.13 C ATOM 153 ND1 HIS A 12 11.198 11.006 0.888 1.00 42.41 N ATOM 154 CD2 HIS A 12 11.950 12.120 2.608 1.00 3.35 C ATOM 155 CE1 HIS A 12 10.149 11.397 1.590 1.00 60.54 C ATOM 156 NE2 HIS A 12 10.578 12.074 2.639 1.00 22.01 N ATOM 0 H HIS A 12 13.800 11.786 -2.047 1.00 44.40 H new ATOM 0 HA HIS A 12 14.130 13.212 0.420 1.00 51.24 H new ATOM 0 HB2 HIS A 12 13.726 10.198 0.484 1.00 31.22 H new ATOM 0 HB3 HIS A 12 14.426 11.127 1.795 1.00 31.22 H new ATOM 0 HD1 HIS A 12 11.161 10.462 0.026 1.00 42.41 H new ATOM 0 HD2 HIS A 12 12.591 12.603 3.331 1.00 3.35 H new ATOM 0 HE1 HIS A 12 9.116 11.197 1.347 1.00 60.54 H new ATOM 164 N ASN A 13 16.084 12.481 -1.549 1.00 14.04 N ATOM 165 CA ASN A 13 17.456 12.305 -2.009 1.00 3.13 C ATOM 166 C ASN A 13 17.733 13.167 -3.237 1.00 2.45 C ATOM 167 O ASN A 13 18.668 12.907 -3.994 1.00 73.45 O ATOM 168 CB ASN A 13 17.723 10.834 -2.334 1.00 54.02 C ATOM 169 CG ASN A 13 16.551 10.176 -3.038 1.00 2.33 C ATOM 170 OD1 ASN A 13 15.411 10.264 -2.583 1.00 14.24 O ATOM 171 ND2 ASN A 13 16.829 9.512 -4.154 1.00 15.33 N ATOM 0 H ASN A 13 15.494 13.022 -2.181 1.00 14.04 H new ATOM 0 HA ASN A 13 18.124 12.620 -1.208 1.00 3.13 H new ATOM 0 HB2 ASN A 13 18.610 10.759 -2.963 1.00 54.02 H new ATOM 0 HB3 ASN A 13 17.939 10.294 -1.412 1.00 54.02 H new ATOM 0 HD21 ASN A 13 16.082 9.048 -4.671 1.00 15.33 H new ATOM 0 HD22 ASN A 13 17.790 9.466 -4.494 1.00 15.33 H new ATOM 178 N LYS A 14 16.915 14.197 -3.427 1.00 34.44 N ATOM 179 CA LYS A 14 17.071 15.100 -4.561 1.00 32.24 C ATOM 180 C LYS A 14 16.820 14.370 -5.876 1.00 71.22 C ATOM 181 O LYS A 14 15.834 14.633 -6.565 1.00 33.24 O ATOM 182 CB LYS A 14 18.474 15.710 -4.563 1.00 42.13 C ATOM 183 CG LYS A 14 18.998 16.025 -5.954 1.00 31.12 C ATOM 184 CD LYS A 14 19.875 17.266 -5.952 1.00 35.02 C ATOM 185 CE LYS A 14 19.096 18.498 -5.515 1.00 60.43 C ATOM 186 NZ LYS A 14 19.571 19.728 -6.207 1.00 30.11 N ATOM 0 H LYS A 14 16.137 14.427 -2.809 1.00 34.44 H new ATOM 0 HA LYS A 14 16.335 15.898 -4.463 1.00 32.24 H new ATOM 0 HB2 LYS A 14 18.464 16.626 -3.972 1.00 42.13 H new ATOM 0 HB3 LYS A 14 19.161 15.021 -4.072 1.00 42.13 H new ATOM 0 HG2 LYS A 14 19.569 15.176 -6.330 1.00 31.12 H new ATOM 0 HG3 LYS A 14 18.160 16.172 -6.635 1.00 31.12 H new ATOM 0 HD2 LYS A 14 20.722 17.113 -5.283 1.00 35.02 H new ATOM 0 HD3 LYS A 14 20.282 17.427 -6.950 1.00 35.02 H new ATOM 0 HE2 LYS A 14 18.036 18.350 -5.723 1.00 60.43 H new ATOM 0 HE3 LYS A 14 19.194 18.627 -4.437 1.00 60.43 H new ATOM 0 HZ1 LYS A 14 19.016 20.545 -5.882 1.00 30.11 H new ATOM 0 HZ2 LYS A 14 20.576 19.883 -5.988 1.00 30.11 H new ATOM 0 HZ3 LYS A 14 19.454 19.616 -7.234 1.00 30.11 H new ATOM 200 N ASP A 15 17.717 13.452 -6.218 1.00 70.24 N ATOM 201 CA ASP A 15 17.591 12.682 -7.450 1.00 62.34 C ATOM 202 C ASP A 15 16.125 12.507 -7.835 1.00 3.21 C ATOM 203 O ASP A 15 15.772 12.567 -9.012 1.00 33.31 O ATOM 204 CB ASP A 15 18.256 11.314 -7.292 1.00 62.50 C ATOM 205 CG ASP A 15 19.295 11.047 -8.364 1.00 34.11 C ATOM 206 OD1 ASP A 15 20.175 11.910 -8.565 1.00 71.15 O ATOM 207 OD2 ASP A 15 19.228 9.975 -9.001 1.00 14.03 O ATOM 0 H ASP A 15 18.539 13.223 -5.660 1.00 70.24 H new ATOM 0 HA ASP A 15 18.094 13.232 -8.246 1.00 62.34 H new ATOM 0 HB2 ASP A 15 18.727 11.254 -6.311 1.00 62.50 H new ATOM 0 HB3 ASP A 15 17.493 10.536 -7.328 1.00 62.50 H new ATOM 212 N GLU A 16 15.278 12.291 -6.834 1.00 31.53 N ATOM 213 CA GLU A 16 13.851 12.105 -7.068 1.00 53.34 C ATOM 214 C GLU A 16 13.145 13.450 -7.216 1.00 54.12 C ATOM 215 O GLU A 16 12.304 13.629 -8.098 1.00 33.24 O ATOM 216 CB GLU A 16 13.222 11.310 -5.923 1.00 33.14 C ATOM 217 CG GLU A 16 14.240 10.691 -4.980 1.00 45.21 C ATOM 218 CD GLU A 16 13.719 9.443 -4.295 1.00 71.13 C ATOM 219 OE1 GLU A 16 12.754 9.555 -3.511 1.00 20.02 O ATOM 220 OE2 GLU A 16 14.276 8.353 -4.545 1.00 3.43 O ATOM 0 H GLU A 16 15.555 12.240 -5.854 1.00 31.53 H new ATOM 0 HA GLU A 16 13.731 11.546 -7.996 1.00 53.34 H new ATOM 0 HB2 GLU A 16 12.565 11.967 -5.354 1.00 33.14 H new ATOM 0 HB3 GLU A 16 12.598 10.519 -6.340 1.00 33.14 H new ATOM 0 HG2 GLU A 16 15.143 10.444 -5.538 1.00 45.21 H new ATOM 0 HG3 GLU A 16 14.522 11.424 -4.225 1.00 45.21 H new ATOM 227 N PHE A 17 13.492 14.393 -6.347 1.00 23.13 N ATOM 228 CA PHE A 17 12.892 15.721 -6.379 1.00 14.35 C ATOM 229 C PHE A 17 12.926 16.300 -7.790 1.00 1.21 C ATOM 230 O PHE A 17 11.990 16.975 -8.219 1.00 11.03 O ATOM 231 CB PHE A 17 13.621 16.658 -5.413 1.00 64.51 C ATOM 232 CG PHE A 17 14.218 17.863 -6.083 1.00 32.44 C ATOM 233 CD1 PHE A 17 15.323 17.737 -6.909 1.00 21.44 C ATOM 234 CD2 PHE A 17 13.673 19.121 -5.886 1.00 52.33 C ATOM 235 CE1 PHE A 17 15.874 18.844 -7.525 1.00 61.01 C ATOM 236 CE2 PHE A 17 14.219 20.232 -6.501 1.00 4.44 C ATOM 237 CZ PHE A 17 15.321 20.093 -7.322 1.00 11.21 C ATOM 0 H PHE A 17 14.186 14.262 -5.611 1.00 23.13 H new ATOM 0 HA PHE A 17 11.851 15.629 -6.068 1.00 14.35 H new ATOM 0 HB2 PHE A 17 12.923 16.988 -4.644 1.00 64.51 H new ATOM 0 HB3 PHE A 17 14.412 16.103 -4.909 1.00 64.51 H new ATOM 0 HD1 PHE A 17 15.759 16.762 -7.073 1.00 21.44 H new ATOM 0 HD2 PHE A 17 12.812 19.235 -5.245 1.00 52.33 H new ATOM 0 HE1 PHE A 17 16.737 18.733 -8.165 1.00 61.01 H new ATOM 0 HE2 PHE A 17 13.784 21.207 -6.340 1.00 4.44 H new ATOM 0 HZ PHE A 17 15.749 20.959 -7.804 1.00 11.21 H new ATOM 247 N ASP A 18 14.012 16.032 -8.506 1.00 60.24 N ATOM 248 CA ASP A 18 14.170 16.525 -9.870 1.00 33.13 C ATOM 249 C ASP A 18 13.150 15.879 -10.803 1.00 25.43 C ATOM 250 O ASP A 18 12.630 16.524 -11.712 1.00 62.12 O ATOM 251 CB ASP A 18 15.587 16.250 -10.374 1.00 23.44 C ATOM 252 CG ASP A 18 16.481 17.471 -10.285 1.00 13.30 C ATOM 253 OD1 ASP A 18 15.970 18.595 -10.475 1.00 0.32 O ATOM 254 OD2 ASP A 18 17.690 17.304 -10.025 1.00 23.41 O ATOM 0 H ASP A 18 14.796 15.476 -8.165 1.00 60.24 H new ATOM 0 HA ASP A 18 13.998 17.601 -9.863 1.00 33.13 H new ATOM 0 HB2 ASP A 18 16.025 15.439 -9.792 1.00 23.44 H new ATOM 0 HB3 ASP A 18 15.542 15.911 -11.409 1.00 23.44 H new ATOM 259 N ALA A 19 12.871 14.600 -10.571 1.00 1.10 N ATOM 260 CA ALA A 19 11.914 13.867 -11.390 1.00 32.22 C ATOM 261 C ALA A 19 10.609 14.642 -11.536 1.00 50.32 C ATOM 262 O ALA A 19 9.845 14.417 -12.475 1.00 4.34 O ATOM 263 CB ALA A 19 11.649 12.494 -10.790 1.00 64.53 C ATOM 0 H ALA A 19 13.294 14.051 -9.823 1.00 1.10 H new ATOM 0 HA ALA A 19 12.345 13.741 -12.383 1.00 32.22 H new ATOM 0 HB1 ALA A 19 10.932 11.957 -11.412 1.00 64.53 H new ATOM 0 HB2 ALA A 19 12.581 11.931 -10.743 1.00 64.53 H new ATOM 0 HB3 ALA A 19 11.243 12.608 -9.785 1.00 64.53 H new ATOM 269 N GLN A 20 10.360 15.555 -10.602 1.00 64.23 N ATOM 270 CA GLN A 20 9.146 16.362 -10.628 1.00 4.11 C ATOM 271 C GLN A 20 9.451 17.789 -11.073 1.00 32.14 C ATOM 272 O GLN A 20 8.825 18.308 -11.996 1.00 14.31 O ATOM 273 CB GLN A 20 8.488 16.375 -9.247 1.00 42.12 C ATOM 274 CG GLN A 20 7.372 15.354 -9.096 1.00 23.05 C ATOM 275 CD GLN A 20 7.664 14.058 -9.826 1.00 50.01 C ATOM 276 OE1 GLN A 20 6.939 13.673 -10.744 1.00 63.30 O ATOM 277 NE2 GLN A 20 8.730 13.377 -9.422 1.00 10.21 N ATOM 0 H GLN A 20 10.982 15.754 -9.819 1.00 64.23 H new ATOM 0 HA GLN A 20 8.458 15.916 -11.346 1.00 4.11 H new ATOM 0 HB2 GLN A 20 9.248 16.185 -8.490 1.00 42.12 H new ATOM 0 HB3 GLN A 20 8.088 17.370 -9.054 1.00 42.12 H new ATOM 0 HG2 GLN A 20 7.218 15.144 -8.038 1.00 23.05 H new ATOM 0 HG3 GLN A 20 6.442 15.779 -9.475 1.00 23.05 H new ATOM 0 HE21 GLN A 20 9.303 13.733 -8.657 1.00 10.21 H new ATOM 0 HE22 GLN A 20 8.976 12.498 -9.877 1.00 10.21 H new ATOM 286 N MET A 21 10.416 18.417 -10.409 1.00 50.01 N ATOM 287 CA MET A 21 10.804 19.784 -10.737 1.00 54.02 C ATOM 288 C MET A 21 11.033 19.939 -12.237 1.00 60.13 C ATOM 289 O MET A 21 11.032 21.052 -12.765 1.00 24.32 O ATOM 290 CB MET A 21 12.070 20.175 -9.973 1.00 13.32 C ATOM 291 CG MET A 21 11.908 21.431 -9.131 1.00 61.05 C ATOM 292 SD MET A 21 11.445 21.070 -7.427 1.00 33.03 S ATOM 293 CE MET A 21 9.889 20.217 -7.672 1.00 52.31 C ATOM 0 H MET A 21 10.943 18.001 -9.641 1.00 50.01 H new ATOM 0 HA MET A 21 9.991 20.447 -10.441 1.00 54.02 H new ATOM 0 HB2 MET A 21 12.364 19.349 -9.326 1.00 13.32 H new ATOM 0 HB3 MET A 21 12.882 20.327 -10.684 1.00 13.32 H new ATOM 0 HG2 MET A 21 12.843 21.992 -9.138 1.00 61.05 H new ATOM 0 HG3 MET A 21 11.149 22.071 -9.582 1.00 61.05 H new ATOM 0 HE1 MET A 21 9.319 20.227 -6.743 1.00 52.31 H new ATOM 0 HE2 MET A 21 9.318 20.719 -8.453 1.00 52.31 H new ATOM 0 HE3 MET A 21 10.082 19.186 -7.969 1.00 52.31 H new ATOM 303 N THR A 22 11.230 18.815 -12.921 1.00 15.54 N ATOM 304 CA THR A 22 11.462 18.827 -14.359 1.00 73.24 C ATOM 305 C THR A 22 10.187 18.492 -15.125 1.00 33.43 C ATOM 306 O THR A 22 10.049 18.829 -16.301 1.00 12.54 O ATOM 307 CB THR A 22 12.564 17.828 -14.758 1.00 61.44 C ATOM 308 OG1 THR A 22 13.823 18.502 -14.861 1.00 0.23 O ATOM 309 CG2 THR A 22 12.233 17.157 -16.083 1.00 41.32 C ATOM 0 H THR A 22 11.233 17.885 -12.501 1.00 15.54 H new ATOM 0 HA THR A 22 11.784 19.835 -14.619 1.00 73.24 H new ATOM 0 HB THR A 22 12.625 17.061 -13.986 1.00 61.44 H new ATOM 0 HG1 THR A 22 14.518 17.859 -15.113 1.00 0.23 H new ATOM 0 HG21 THR A 22 13.026 16.456 -16.344 1.00 41.32 H new ATOM 0 HG22 THR A 22 11.289 16.620 -15.993 1.00 41.32 H new ATOM 0 HG23 THR A 22 12.147 17.914 -16.863 1.00 41.32 H new ATOM 317 N LYS A 23 9.255 17.826 -14.451 1.00 24.54 N ATOM 318 CA LYS A 23 7.989 17.446 -15.066 1.00 23.30 C ATOM 319 C LYS A 23 6.984 18.591 -14.994 1.00 62.20 C ATOM 320 O LYS A 23 5.774 18.367 -14.975 1.00 23.24 O ATOM 321 CB LYS A 23 7.416 16.205 -14.377 1.00 55.40 C ATOM 322 CG LYS A 23 7.505 14.945 -15.220 1.00 41.21 C ATOM 323 CD LYS A 23 7.654 13.705 -14.355 1.00 34.10 C ATOM 324 CE LYS A 23 8.822 12.844 -14.811 1.00 11.14 C ATOM 325 NZ LYS A 23 8.579 11.398 -14.552 1.00 24.22 N ATOM 0 H LYS A 23 9.353 17.538 -13.477 1.00 24.54 H new ATOM 0 HA LYS A 23 8.177 17.217 -16.115 1.00 23.30 H new ATOM 0 HB2 LYS A 23 7.947 16.043 -13.439 1.00 55.40 H new ATOM 0 HB3 LYS A 23 6.372 16.390 -14.124 1.00 55.40 H new ATOM 0 HG2 LYS A 23 6.610 14.855 -15.836 1.00 41.21 H new ATOM 0 HG3 LYS A 23 8.354 15.020 -15.899 1.00 41.21 H new ATOM 0 HD2 LYS A 23 7.802 14.000 -13.316 1.00 34.10 H new ATOM 0 HD3 LYS A 23 6.734 13.121 -14.392 1.00 34.10 H new ATOM 0 HE2 LYS A 23 8.993 12.998 -15.876 1.00 11.14 H new ATOM 0 HE3 LYS A 23 9.729 13.158 -14.294 1.00 11.14 H new ATOM 0 HZ1 LYS A 23 9.398 10.845 -14.877 1.00 24.22 H new ATOM 0 HZ2 LYS A 23 8.441 11.246 -13.532 1.00 24.22 H new ATOM 0 HZ3 LYS A 23 7.728 11.091 -15.066 1.00 24.22 H new ATOM 339 N ALA A 24 7.494 19.818 -14.956 1.00 74.31 N ATOM 340 CA ALA A 24 6.640 20.998 -14.890 1.00 61.51 C ATOM 341 C ALA A 24 6.981 21.984 -16.001 1.00 51.55 C ATOM 342 O ALA A 24 6.094 22.497 -16.685 1.00 61.51 O ATOM 343 CB ALA A 24 6.769 21.667 -13.530 1.00 32.44 C ATOM 0 H ALA A 24 8.494 20.021 -14.970 1.00 74.31 H new ATOM 0 HA ALA A 24 5.607 20.678 -15.028 1.00 61.51 H new ATOM 0 HB1 ALA A 24 6.126 22.546 -13.495 1.00 32.44 H new ATOM 0 HB2 ALA A 24 6.469 20.967 -12.750 1.00 32.44 H new ATOM 0 HB3 ALA A 24 7.804 21.968 -13.369 1.00 32.44 H new ATOM 349 N LYS A 25 8.271 22.248 -16.177 1.00 3.42 N ATOM 350 CA LYS A 25 8.731 23.174 -17.206 1.00 34.14 C ATOM 351 C LYS A 25 8.447 22.622 -18.599 1.00 43.43 C ATOM 352 O LYS A 25 8.050 23.361 -19.500 1.00 2.35 O ATOM 353 CB LYS A 25 10.229 23.443 -17.047 1.00 33.22 C ATOM 354 CG LYS A 25 11.067 22.180 -16.957 1.00 22.50 C ATOM 355 CD LYS A 25 12.063 22.251 -15.811 1.00 52.44 C ATOM 356 CE LYS A 25 12.745 23.609 -15.751 1.00 5.35 C ATOM 357 NZ LYS A 25 14.123 23.513 -15.192 1.00 15.31 N ATOM 0 H LYS A 25 9.018 21.833 -15.620 1.00 3.42 H new ATOM 0 HA LYS A 25 8.186 24.111 -17.087 1.00 34.14 H new ATOM 0 HB2 LYS A 25 10.574 24.039 -17.892 1.00 33.22 H new ATOM 0 HB3 LYS A 25 10.389 24.040 -16.149 1.00 33.22 H new ATOM 0 HG2 LYS A 25 10.414 21.318 -16.820 1.00 22.50 H new ATOM 0 HG3 LYS A 25 11.601 22.029 -17.895 1.00 22.50 H new ATOM 0 HD2 LYS A 25 11.550 22.058 -14.869 1.00 52.44 H new ATOM 0 HD3 LYS A 25 12.814 21.470 -15.931 1.00 52.44 H new ATOM 0 HE2 LYS A 25 12.788 24.038 -16.752 1.00 5.35 H new ATOM 0 HE3 LYS A 25 12.151 24.287 -15.138 1.00 5.35 H new ATOM 0 HZ1 LYS A 25 14.554 24.459 -15.167 1.00 15.31 H new ATOM 0 HZ2 LYS A 25 14.080 23.127 -14.227 1.00 15.31 H new ATOM 0 HZ3 LYS A 25 14.698 22.886 -15.791 1.00 15.31 H new ATOM 371 N GLU A 26 8.653 21.320 -18.769 1.00 32.14 N ATOM 372 CA GLU A 26 8.418 20.671 -20.053 1.00 63.11 C ATOM 373 C GLU A 26 6.969 20.210 -20.173 1.00 33.50 C ATOM 374 O GLU A 26 6.350 20.341 -21.228 1.00 72.45 O ATOM 375 CB GLU A 26 9.361 19.478 -20.226 1.00 73.14 C ATOM 376 CG GLU A 26 9.640 18.730 -18.934 1.00 1.14 C ATOM 377 CD GLU A 26 9.933 17.260 -19.162 1.00 32.13 C ATOM 378 OE1 GLU A 26 10.897 16.954 -19.895 1.00 12.34 O ATOM 379 OE2 GLU A 26 9.199 16.415 -18.608 1.00 14.30 O ATOM 0 H GLU A 26 8.982 20.694 -18.034 1.00 32.14 H new ATOM 0 HA GLU A 26 8.615 21.398 -20.840 1.00 63.11 H new ATOM 0 HB2 GLU A 26 8.930 18.787 -20.950 1.00 73.14 H new ATOM 0 HB3 GLU A 26 10.305 19.829 -20.644 1.00 73.14 H new ATOM 0 HG2 GLU A 26 10.488 19.191 -18.428 1.00 1.14 H new ATOM 0 HG3 GLU A 26 8.781 18.827 -18.270 1.00 1.14 H new ATOM 386 N ALA A 27 6.434 19.668 -19.083 1.00 42.32 N ATOM 387 CA ALA A 27 5.058 19.189 -19.065 1.00 31.41 C ATOM 388 C ALA A 27 4.075 20.334 -19.283 1.00 35.44 C ATOM 389 O ALA A 27 2.998 20.142 -19.846 1.00 70.51 O ATOM 390 CB ALA A 27 4.763 18.480 -17.751 1.00 44.00 C ATOM 0 H ALA A 27 6.933 19.550 -18.201 1.00 42.32 H new ATOM 0 HA ALA A 27 4.936 18.480 -19.883 1.00 31.41 H new ATOM 0 HB1 ALA A 27 3.732 18.127 -17.751 1.00 44.00 H new ATOM 0 HB2 ALA A 27 5.437 17.631 -17.636 1.00 44.00 H new ATOM 0 HB3 ALA A 27 4.909 19.173 -16.923 1.00 44.00 H new ATOM 396 N GLY A 28 4.452 21.526 -18.831 1.00 70.00 N ATOM 397 CA GLY A 28 3.591 22.684 -18.985 1.00 43.14 C ATOM 398 C GLY A 28 2.640 22.859 -17.818 1.00 42.32 C ATOM 399 O GLY A 28 1.490 23.261 -17.999 1.00 23.51 O ATOM 0 H GLY A 28 5.338 21.710 -18.361 1.00 70.00 H new ATOM 0 HA2 GLY A 28 4.205 23.579 -19.086 1.00 43.14 H new ATOM 0 HA3 GLY A 28 3.017 22.586 -19.906 1.00 43.14 H new ATOM 403 N LYS A 29 3.119 22.556 -16.616 1.00 50.53 N ATOM 404 CA LYS A 29 2.304 22.682 -15.414 1.00 21.23 C ATOM 405 C LYS A 29 3.103 23.316 -14.279 1.00 75.21 C ATOM 406 O LYS A 29 4.331 23.243 -14.255 1.00 42.32 O ATOM 407 CB LYS A 29 1.783 21.310 -14.980 1.00 64.43 C ATOM 408 CG LYS A 29 2.871 20.378 -14.474 1.00 2.42 C ATOM 409 CD LYS A 29 2.359 18.956 -14.317 1.00 5.30 C ATOM 410 CE LYS A 29 1.566 18.512 -15.536 1.00 73.00 C ATOM 411 NZ LYS A 29 1.654 17.041 -15.749 1.00 60.23 N ATOM 0 H LYS A 29 4.068 22.221 -16.449 1.00 50.53 H new ATOM 0 HA LYS A 29 1.458 23.329 -15.645 1.00 21.23 H new ATOM 0 HB2 LYS A 29 1.038 21.445 -14.196 1.00 64.43 H new ATOM 0 HB3 LYS A 29 1.277 20.840 -15.823 1.00 64.43 H new ATOM 0 HG2 LYS A 29 3.712 20.388 -15.168 1.00 2.42 H new ATOM 0 HG3 LYS A 29 3.244 20.739 -13.516 1.00 2.42 H new ATOM 0 HD2 LYS A 29 3.200 18.280 -14.163 1.00 5.30 H new ATOM 0 HD3 LYS A 29 1.730 18.890 -13.429 1.00 5.30 H new ATOM 0 HE2 LYS A 29 0.522 18.800 -15.414 1.00 73.00 H new ATOM 0 HE3 LYS A 29 1.938 19.030 -16.420 1.00 73.00 H new ATOM 0 HZ1 LYS A 29 1.100 16.778 -16.589 1.00 60.23 H new ATOM 0 HZ2 LYS A 29 2.648 16.770 -15.890 1.00 60.23 H new ATOM 0 HZ3 LYS A 29 1.275 16.546 -14.916 1.00 60.23 H new ATOM 425 N VAL A 30 2.396 23.936 -13.339 1.00 43.22 N ATOM 426 CA VAL A 30 3.039 24.581 -12.200 1.00 63.42 C ATOM 427 C VAL A 30 3.687 23.552 -11.280 1.00 72.33 C ATOM 428 O VAL A 30 3.381 22.361 -11.349 1.00 54.33 O ATOM 429 CB VAL A 30 2.034 25.418 -11.388 1.00 52.42 C ATOM 430 CG1 VAL A 30 2.043 24.995 -9.927 1.00 52.12 C ATOM 431 CG2 VAL A 30 2.344 26.901 -11.524 1.00 43.40 C ATOM 0 H VAL A 30 1.378 24.005 -13.344 1.00 43.22 H new ATOM 0 HA VAL A 30 3.808 25.240 -12.602 1.00 63.42 H new ATOM 0 HB VAL A 30 1.035 25.241 -11.786 1.00 52.42 H new ATOM 0 HG11 VAL A 30 1.326 25.598 -9.369 1.00 52.12 H new ATOM 0 HG12 VAL A 30 1.769 23.943 -9.851 1.00 52.12 H new ATOM 0 HG13 VAL A 30 3.040 25.141 -9.512 1.00 52.12 H new ATOM 0 HG21 VAL A 30 1.624 27.478 -10.944 1.00 43.40 H new ATOM 0 HG22 VAL A 30 3.350 27.098 -11.153 1.00 43.40 H new ATOM 0 HG23 VAL A 30 2.281 27.191 -12.573 1.00 43.40 H new ATOM 441 N VAL A 31 4.584 24.019 -10.418 1.00 21.22 N ATOM 442 CA VAL A 31 5.275 23.140 -9.482 1.00 34.32 C ATOM 443 C VAL A 31 4.900 23.468 -8.041 1.00 34.20 C ATOM 444 O VAL A 31 4.694 24.631 -7.692 1.00 72.31 O ATOM 445 CB VAL A 31 6.803 23.242 -9.639 1.00 4.41 C ATOM 446 CG1 VAL A 31 7.506 22.640 -8.432 1.00 20.02 C ATOM 447 CG2 VAL A 31 7.253 22.562 -10.923 1.00 25.33 C ATOM 0 H VAL A 31 4.849 25.001 -10.348 1.00 21.22 H new ATOM 0 HA VAL A 31 4.961 22.122 -9.714 1.00 34.32 H new ATOM 0 HB VAL A 31 7.075 24.296 -9.699 1.00 4.41 H new ATOM 0 HG11 VAL A 31 8.585 22.721 -8.561 1.00 20.02 H new ATOM 0 HG12 VAL A 31 7.207 23.177 -7.532 1.00 20.02 H new ATOM 0 HG13 VAL A 31 7.230 21.590 -8.337 1.00 20.02 H new ATOM 0 HG21 VAL A 31 8.336 22.644 -11.018 1.00 25.33 H new ATOM 0 HG22 VAL A 31 6.969 21.510 -10.896 1.00 25.33 H new ATOM 0 HG23 VAL A 31 6.777 23.044 -11.776 1.00 25.33 H new ATOM 457 N ILE A 32 4.813 22.436 -7.208 1.00 70.04 N ATOM 458 CA ILE A 32 4.464 22.615 -5.804 1.00 43.05 C ATOM 459 C ILE A 32 5.260 21.665 -4.915 1.00 53.51 C ATOM 460 O ILE A 32 4.882 20.508 -4.732 1.00 63.34 O ATOM 461 CB ILE A 32 2.960 22.387 -5.564 1.00 63.54 C ATOM 462 CG1 ILE A 32 2.133 23.211 -6.553 1.00 72.50 C ATOM 463 CG2 ILE A 32 2.593 22.743 -4.132 1.00 34.53 C ATOM 464 CD1 ILE A 32 1.630 22.410 -7.734 1.00 41.42 C ATOM 0 H ILE A 32 4.979 21.467 -7.481 1.00 70.04 H new ATOM 0 HA ILE A 32 4.712 23.644 -5.545 1.00 43.05 H new ATOM 0 HB ILE A 32 2.737 21.332 -5.724 1.00 63.54 H new ATOM 0 HG12 ILE A 32 1.281 23.645 -6.029 1.00 72.50 H new ATOM 0 HG13 ILE A 32 2.739 24.040 -6.918 1.00 72.50 H new ATOM 0 HG21 ILE A 32 1.527 22.577 -3.978 1.00 34.53 H new ATOM 0 HG22 ILE A 32 3.161 22.117 -3.444 1.00 34.53 H new ATOM 0 HG23 ILE A 32 2.827 23.791 -3.946 1.00 34.53 H new ATOM 0 HD11 ILE A 32 1.052 23.058 -8.393 1.00 41.42 H new ATOM 0 HD12 ILE A 32 2.478 21.998 -8.282 1.00 41.42 H new ATOM 0 HD13 ILE A 32 0.998 21.596 -7.379 1.00 41.42 H new ATOM 476 N ILE A 33 6.361 22.164 -4.363 1.00 72.41 N ATOM 477 CA ILE A 33 7.208 21.360 -3.490 1.00 53.41 C ATOM 478 C ILE A 33 6.854 21.583 -2.024 1.00 13.33 C ATOM 479 O ILE A 33 6.738 22.721 -1.568 1.00 44.33 O ATOM 480 CB ILE A 33 8.699 21.682 -3.701 1.00 61.11 C ATOM 481 CG1 ILE A 33 8.936 22.196 -5.123 1.00 23.34 C ATOM 482 CG2 ILE A 33 9.550 20.451 -3.428 1.00 61.31 C ATOM 483 CD1 ILE A 33 9.207 23.682 -5.190 1.00 41.45 C ATOM 0 H ILE A 33 6.687 23.120 -4.504 1.00 72.41 H new ATOM 0 HA ILE A 33 7.029 20.317 -3.750 1.00 53.41 H new ATOM 0 HB ILE A 33 8.990 22.464 -2.999 1.00 61.11 H new ATOM 0 HG12 ILE A 33 9.780 21.661 -5.558 1.00 23.34 H new ATOM 0 HG13 ILE A 33 8.063 21.966 -5.734 1.00 23.34 H new ATOM 0 HG21 ILE A 33 10.601 20.694 -3.581 1.00 61.31 H new ATOM 0 HG22 ILE A 33 9.399 20.125 -2.399 1.00 61.31 H new ATOM 0 HG23 ILE A 33 9.260 19.650 -4.108 1.00 61.31 H new ATOM 0 HD11 ILE A 33 9.366 23.977 -6.227 1.00 41.45 H new ATOM 0 HD12 ILE A 33 8.354 24.226 -4.785 1.00 41.45 H new ATOM 0 HD13 ILE A 33 10.097 23.916 -4.606 1.00 41.45 H new ATOM 495 N ASP A 34 6.684 20.490 -1.289 1.00 62.40 N ATOM 496 CA ASP A 34 6.346 20.565 0.128 1.00 62.24 C ATOM 497 C ASP A 34 7.542 20.178 0.993 1.00 54.22 C ATOM 498 O ASP A 34 7.754 19.002 1.287 1.00 73.30 O ATOM 499 CB ASP A 34 5.159 19.653 0.440 1.00 72.34 C ATOM 500 CG ASP A 34 4.644 18.931 -0.790 1.00 41.13 C ATOM 501 OD1 ASP A 34 4.489 19.587 -1.842 1.00 13.01 O ATOM 502 OD2 ASP A 34 4.398 17.710 -0.702 1.00 14.33 O ATOM 0 H ASP A 34 6.775 19.541 -1.651 1.00 62.40 H new ATOM 0 HA ASP A 34 6.073 21.595 0.357 1.00 62.24 H new ATOM 0 HB2 ASP A 34 5.455 18.920 1.190 1.00 72.34 H new ATOM 0 HB3 ASP A 34 4.353 20.246 0.874 1.00 72.34 H new ATOM 507 N PHE A 35 8.321 21.176 1.397 1.00 53.25 N ATOM 508 CA PHE A 35 9.497 20.941 2.226 1.00 35.43 C ATOM 509 C PHE A 35 9.101 20.340 3.572 1.00 11.43 C ATOM 510 O PHE A 35 7.982 19.857 3.745 1.00 34.32 O ATOM 511 CB PHE A 35 10.264 22.247 2.443 1.00 32.53 C ATOM 512 CG PHE A 35 11.068 22.675 1.249 1.00 23.53 C ATOM 513 CD1 PHE A 35 12.160 21.931 0.830 1.00 1.45 C ATOM 514 CD2 PHE A 35 10.733 23.820 0.546 1.00 1.52 C ATOM 515 CE1 PHE A 35 12.902 22.322 -0.268 1.00 44.21 C ATOM 516 CE2 PHE A 35 11.471 24.216 -0.553 1.00 63.12 C ATOM 517 CZ PHE A 35 12.558 23.467 -0.960 1.00 60.31 C ATOM 0 H PHE A 35 8.159 22.156 1.164 1.00 53.25 H new ATOM 0 HA PHE A 35 10.142 20.232 1.707 1.00 35.43 H new ATOM 0 HB2 PHE A 35 9.557 23.037 2.697 1.00 32.53 H new ATOM 0 HB3 PHE A 35 10.931 22.130 3.297 1.00 32.53 H new ATOM 0 HD1 PHE A 35 12.434 21.035 1.368 1.00 1.45 H new ATOM 0 HD2 PHE A 35 9.885 24.410 0.860 1.00 1.52 H new ATOM 0 HE1 PHE A 35 13.750 21.733 -0.585 1.00 44.21 H new ATOM 0 HE2 PHE A 35 11.198 25.110 -1.093 1.00 63.12 H new ATOM 0 HZ PHE A 35 13.138 23.776 -1.817 1.00 60.31 H new ATOM 527 N THR A 36 10.028 20.375 4.524 1.00 22.44 N ATOM 528 CA THR A 36 9.779 19.833 5.854 1.00 15.22 C ATOM 529 C THR A 36 11.085 19.513 6.572 1.00 51.03 C ATOM 530 O THR A 36 11.932 18.792 6.046 1.00 62.02 O ATOM 531 CB THR A 36 8.916 18.559 5.789 1.00 21.41 C ATOM 532 OG1 THR A 36 9.000 17.846 7.028 1.00 1.45 O ATOM 533 CG2 THR A 36 9.367 17.658 4.649 1.00 31.21 C ATOM 0 H THR A 36 10.959 20.773 4.399 1.00 22.44 H new ATOM 0 HA THR A 36 9.241 20.600 6.411 1.00 15.22 H new ATOM 0 HB THR A 36 7.883 18.856 5.610 1.00 21.41 H new ATOM 0 HG1 THR A 36 8.447 17.038 6.979 1.00 1.45 H new ATOM 0 HG21 THR A 36 8.743 16.765 4.623 1.00 31.21 H new ATOM 0 HG22 THR A 36 9.275 18.193 3.704 1.00 31.21 H new ATOM 0 HG23 THR A 36 10.407 17.370 4.803 1.00 31.21 H new ATOM 541 N ALA A 37 11.241 20.053 7.776 1.00 40.11 N ATOM 542 CA ALA A 37 12.444 19.822 8.567 1.00 54.24 C ATOM 543 C ALA A 37 12.510 18.379 9.056 1.00 44.44 C ATOM 544 O ALA A 37 13.372 17.609 8.631 1.00 0.52 O ATOM 545 CB ALA A 37 12.493 20.784 9.745 1.00 62.32 C ATOM 0 H ALA A 37 10.550 20.653 8.225 1.00 40.11 H new ATOM 0 HA ALA A 37 13.309 20.002 7.929 1.00 54.24 H new ATOM 0 HB1 ALA A 37 13.396 20.601 10.327 1.00 62.32 H new ATOM 0 HB2 ALA A 37 12.501 21.810 9.377 1.00 62.32 H new ATOM 0 HB3 ALA A 37 11.617 20.631 10.376 1.00 62.32 H new ATOM 551 N SER A 38 11.596 18.020 9.951 1.00 61.22 N ATOM 552 CA SER A 38 11.554 16.670 10.501 1.00 4.11 C ATOM 553 C SER A 38 10.380 16.511 11.462 1.00 52.04 C ATOM 554 O SER A 38 9.644 15.526 11.402 1.00 61.13 O ATOM 555 CB SER A 38 12.865 16.350 11.223 1.00 50.13 C ATOM 556 OG SER A 38 13.357 15.076 10.845 1.00 43.12 O ATOM 0 H SER A 38 10.875 18.645 10.311 1.00 61.22 H new ATOM 0 HA SER A 38 11.422 15.972 9.675 1.00 4.11 H new ATOM 0 HB2 SER A 38 13.607 17.114 10.991 1.00 50.13 H new ATOM 0 HB3 SER A 38 12.706 16.377 12.301 1.00 50.13 H new ATOM 0 HG SER A 38 14.196 14.896 11.318 1.00 43.12 H new ATOM 562 N TRP A 39 10.211 17.487 12.346 1.00 1.21 N ATOM 563 CA TRP A 39 9.126 17.456 13.320 1.00 1.53 C ATOM 564 C TRP A 39 8.086 18.527 13.010 1.00 34.13 C ATOM 565 O TRP A 39 6.882 18.271 13.067 1.00 63.31 O ATOM 566 CB TRP A 39 9.676 17.657 14.733 1.00 22.54 C ATOM 567 CG TRP A 39 10.937 16.889 14.994 1.00 35.55 C ATOM 568 CD1 TRP A 39 11.055 15.720 15.691 1.00 33.13 C ATOM 569 CD2 TRP A 39 12.257 17.236 14.564 1.00 51.43 C ATOM 570 NE1 TRP A 39 12.369 15.320 15.720 1.00 41.43 N ATOM 571 CE2 TRP A 39 13.126 16.233 15.034 1.00 5.14 C ATOM 572 CE3 TRP A 39 12.789 18.296 13.825 1.00 51.34 C ATOM 573 CZ2 TRP A 39 14.497 16.262 14.790 1.00 71.50 C ATOM 574 CZ3 TRP A 39 14.149 18.323 13.583 1.00 3.22 C ATOM 575 CH2 TRP A 39 14.991 17.311 14.064 1.00 54.02 C ATOM 0 H TRP A 39 10.811 18.310 12.409 1.00 1.21 H new ATOM 0 HA TRP A 39 8.645 16.480 13.260 1.00 1.53 H new ATOM 0 HB2 TRP A 39 9.865 18.718 14.894 1.00 22.54 H new ATOM 0 HB3 TRP A 39 8.919 17.355 15.456 1.00 22.54 H new ATOM 0 HD1 TRP A 39 10.236 15.188 16.152 1.00 33.13 H new ATOM 0 HE1 TRP A 39 12.723 14.480 16.178 1.00 41.43 H new ATOM 0 HE3 TRP A 39 12.148 19.080 13.450 1.00 51.34 H new ATOM 0 HZ2 TRP A 39 15.147 15.484 15.161 1.00 71.50 H new ATOM 0 HZ3 TRP A 39 14.571 19.138 13.013 1.00 3.22 H new ATOM 0 HH2 TRP A 39 16.050 17.360 13.858 1.00 54.02 H new ATOM 586 N CYS A 40 8.556 19.725 12.683 1.00 53.33 N ATOM 587 CA CYS A 40 7.665 20.835 12.364 1.00 14.30 C ATOM 588 C CYS A 40 6.752 20.481 11.195 1.00 52.15 C ATOM 589 O CYS A 40 7.112 20.670 10.033 1.00 31.14 O ATOM 590 CB CYS A 40 8.476 22.089 12.032 1.00 33.34 C ATOM 591 SG CYS A 40 9.503 22.686 13.396 1.00 74.54 S ATOM 0 H CYS A 40 9.549 19.953 12.632 1.00 53.33 H new ATOM 0 HA CYS A 40 7.045 21.033 13.238 1.00 14.30 H new ATOM 0 HB2 CYS A 40 9.116 21.879 11.175 1.00 33.34 H new ATOM 0 HB3 CYS A 40 7.792 22.883 11.732 1.00 33.34 H new ATOM 0 HG CYS A 40 10.152 23.747 13.018 1.00 74.54 H new ATOM 597 N GLY A 41 5.568 19.965 11.510 1.00 72.43 N ATOM 598 CA GLY A 41 4.622 19.590 10.474 1.00 4.23 C ATOM 599 C GLY A 41 3.602 18.579 10.959 1.00 42.23 C ATOM 600 O GLY A 41 3.919 17.657 11.710 1.00 61.31 O ATOM 0 H GLY A 41 5.247 19.800 12.464 1.00 72.43 H new ATOM 0 HA2 GLY A 41 4.105 20.481 10.118 1.00 4.23 H new ATOM 0 HA3 GLY A 41 5.164 19.176 9.624 1.00 4.23 H new ATOM 604 N PRO A 42 2.344 18.748 10.526 1.00 50.52 N ATOM 605 CA PRO A 42 1.248 17.853 10.909 1.00 50.43 C ATOM 606 C PRO A 42 1.382 16.471 10.280 1.00 23.41 C ATOM 607 O PRO A 42 1.308 15.454 10.972 1.00 45.22 O ATOM 608 CB PRO A 42 0.004 18.566 10.372 1.00 1.21 C ATOM 609 CG PRO A 42 0.504 19.403 9.245 1.00 15.03 C ATOM 610 CD PRO A 42 1.895 19.826 9.629 1.00 54.33 C ATOM 0 HA PRO A 42 1.224 17.675 11.984 1.00 50.43 H new ATOM 0 HB2 PRO A 42 -0.746 17.852 10.032 1.00 1.21 H new ATOM 0 HB3 PRO A 42 -0.465 19.178 11.142 1.00 1.21 H new ATOM 0 HG2 PRO A 42 0.511 18.838 8.313 1.00 15.03 H new ATOM 0 HG3 PRO A 42 -0.138 20.270 9.088 1.00 15.03 H new ATOM 0 HD2 PRO A 42 2.542 19.919 8.757 1.00 54.33 H new ATOM 0 HD3 PRO A 42 1.897 20.793 10.131 1.00 54.33 H new ATOM 618 N CYS A 43 1.580 16.440 8.967 1.00 21.40 N ATOM 619 CA CYS A 43 1.725 15.180 8.245 1.00 15.31 C ATOM 620 C CYS A 43 0.733 14.142 8.760 1.00 61.23 C ATOM 621 O CYS A 43 1.078 12.973 8.936 1.00 44.31 O ATOM 622 CB CYS A 43 3.153 14.651 8.382 1.00 51.23 C ATOM 623 SG CYS A 43 3.884 14.091 6.826 1.00 64.20 S ATOM 0 H CYS A 43 1.644 17.272 8.380 1.00 21.40 H new ATOM 0 HA CYS A 43 1.515 15.366 7.192 1.00 15.31 H new ATOM 0 HB2 CYS A 43 3.781 15.435 8.805 1.00 51.23 H new ATOM 0 HB3 CYS A 43 3.156 13.823 9.091 1.00 51.23 H new ATOM 0 HG CYS A 43 5.092 13.664 7.043 1.00 64.20 H new ATOM 629 N ARG A 44 -0.500 14.576 9.001 1.00 45.55 N ATOM 630 CA ARG A 44 -1.540 13.685 9.498 1.00 54.10 C ATOM 631 C ARG A 44 -2.923 14.300 9.300 1.00 21.21 C ATOM 632 O ARG A 44 -3.786 13.715 8.645 1.00 42.33 O ATOM 633 CB ARG A 44 -1.314 13.379 10.980 1.00 70.34 C ATOM 634 CG ARG A 44 -0.367 12.215 11.223 1.00 3.31 C ATOM 635 CD ARG A 44 -0.885 11.294 12.317 1.00 40.53 C ATOM 636 NE ARG A 44 -0.265 11.576 13.609 1.00 62.24 N ATOM 637 CZ ARG A 44 -0.757 11.153 14.768 1.00 51.13 C ATOM 638 NH1 ARG A 44 -1.870 10.433 14.796 1.00 13.50 N ATOM 639 NH2 ARG A 44 -0.135 11.450 15.902 1.00 72.22 N ATOM 0 H ARG A 44 -0.803 15.540 8.860 1.00 45.55 H new ATOM 0 HA ARG A 44 -1.489 12.756 8.930 1.00 54.10 H new ATOM 0 HB2 ARG A 44 -0.917 14.268 11.470 1.00 70.34 H new ATOM 0 HB3 ARG A 44 -2.274 13.160 11.448 1.00 70.34 H new ATOM 0 HG2 ARG A 44 -0.240 11.649 10.300 1.00 3.31 H new ATOM 0 HG3 ARG A 44 0.616 12.596 11.502 1.00 3.31 H new ATOM 0 HD2 ARG A 44 -1.966 11.404 12.402 1.00 40.53 H new ATOM 0 HD3 ARG A 44 -0.691 10.258 12.040 1.00 40.53 H new ATOM 0 HE ARG A 44 0.593 12.128 13.622 1.00 62.24 H new ATOM 0 HH11 ARG A 44 -2.350 10.203 13.926 1.00 13.50 H new ATOM 0 HH12 ARG A 44 -2.246 10.109 15.687 1.00 13.50 H new ATOM 0 HH21 ARG A 44 0.722 12.004 15.884 1.00 72.22 H new ATOM 0 HH22 ARG A 44 -0.514 11.125 16.792 1.00 72.22 H new ATOM 653 N PHE A 45 -3.126 15.482 9.872 1.00 53.23 N ATOM 654 CA PHE A 45 -4.404 16.176 9.760 1.00 72.24 C ATOM 655 C PHE A 45 -4.654 16.626 8.323 1.00 14.34 C ATOM 656 O PHE A 45 -5.767 16.506 7.809 1.00 64.32 O ATOM 657 CB PHE A 45 -4.437 17.384 10.698 1.00 22.20 C ATOM 658 CG PHE A 45 -5.645 18.256 10.511 1.00 72.04 C ATOM 659 CD1 PHE A 45 -6.827 17.978 11.179 1.00 43.41 C ATOM 660 CD2 PHE A 45 -5.600 19.353 9.666 1.00 43.15 C ATOM 661 CE1 PHE A 45 -7.941 18.779 11.009 1.00 45.20 C ATOM 662 CE2 PHE A 45 -6.710 20.158 9.492 1.00 70.40 C ATOM 663 CZ PHE A 45 -7.882 19.870 10.164 1.00 72.45 C ATOM 0 H PHE A 45 -2.422 15.979 10.418 1.00 53.23 H new ATOM 0 HA PHE A 45 -5.193 15.481 10.047 1.00 72.24 H new ATOM 0 HB2 PHE A 45 -4.408 17.034 11.730 1.00 22.20 H new ATOM 0 HB3 PHE A 45 -3.539 17.982 10.539 1.00 22.20 H new ATOM 0 HD1 PHE A 45 -6.879 17.126 11.840 1.00 43.41 H new ATOM 0 HD2 PHE A 45 -4.687 19.582 9.137 1.00 43.15 H new ATOM 0 HE1 PHE A 45 -8.856 18.552 11.536 1.00 45.20 H new ATOM 0 HE2 PHE A 45 -6.661 21.011 8.831 1.00 70.40 H new ATOM 0 HZ PHE A 45 -8.751 20.497 10.029 1.00 72.45 H new ATOM 673 N ILE A 46 -3.613 17.146 7.683 1.00 63.12 N ATOM 674 CA ILE A 46 -3.719 17.614 6.306 1.00 21.05 C ATOM 675 C ILE A 46 -3.076 16.626 5.339 1.00 41.32 C ATOM 676 O ILE A 46 -2.892 16.927 4.160 1.00 44.41 O ATOM 677 CB ILE A 46 -3.058 18.994 6.129 1.00 72.25 C ATOM 678 CG1 ILE A 46 -3.687 19.736 4.948 1.00 52.13 C ATOM 679 CG2 ILE A 46 -1.558 18.841 5.927 1.00 71.44 C ATOM 680 CD1 ILE A 46 -3.651 21.241 5.092 1.00 43.53 C ATOM 0 H ILE A 46 -2.686 17.254 8.095 1.00 63.12 H new ATOM 0 HA ILE A 46 -4.782 17.698 6.081 1.00 21.05 H new ATOM 0 HB ILE A 46 -3.225 19.580 7.033 1.00 72.25 H new ATOM 0 HG12 ILE A 46 -3.166 19.454 4.033 1.00 52.13 H new ATOM 0 HG13 ILE A 46 -4.723 19.414 4.837 1.00 52.13 H new ATOM 0 HG21 ILE A 46 -1.105 19.825 5.803 1.00 71.44 H new ATOM 0 HG22 ILE A 46 -1.122 18.348 6.796 1.00 71.44 H new ATOM 0 HG23 ILE A 46 -1.370 18.241 5.037 1.00 71.44 H new ATOM 0 HD11 ILE A 46 -4.114 21.701 4.219 1.00 43.53 H new ATOM 0 HD12 ILE A 46 -4.197 21.534 5.989 1.00 43.53 H new ATOM 0 HD13 ILE A 46 -2.616 21.574 5.172 1.00 43.53 H new ATOM 692 N ALA A 47 -2.738 15.445 5.845 1.00 20.02 N ATOM 693 CA ALA A 47 -2.119 14.411 5.025 1.00 12.01 C ATOM 694 C ALA A 47 -2.998 14.059 3.830 1.00 53.23 C ATOM 695 O ALA A 47 -2.568 14.106 2.677 1.00 30.31 O ATOM 696 CB ALA A 47 -1.841 13.171 5.861 1.00 24.41 C ATOM 0 H ALA A 47 -2.882 15.180 6.819 1.00 20.02 H new ATOM 0 HA ALA A 47 -1.174 14.800 4.646 1.00 12.01 H new ATOM 0 HB1 ALA A 47 -1.379 12.407 5.236 1.00 24.41 H new ATOM 0 HB2 ALA A 47 -1.168 13.427 6.679 1.00 24.41 H new ATOM 0 HB3 ALA A 47 -2.777 12.789 6.268 1.00 24.41 H new ATOM 702 N PRO A 48 -4.260 13.698 4.108 1.00 64.32 N ATOM 703 CA PRO A 48 -5.225 13.331 3.068 1.00 74.40 C ATOM 704 C PRO A 48 -5.651 14.527 2.223 1.00 23.14 C ATOM 705 O PRO A 48 -6.516 14.411 1.355 1.00 24.51 O ATOM 706 CB PRO A 48 -6.415 12.788 3.864 1.00 0.22 C ATOM 707 CG PRO A 48 -6.311 13.447 5.197 1.00 63.55 C ATOM 708 CD PRO A 48 -4.840 13.620 5.459 1.00 73.02 C ATOM 0 HA PRO A 48 -4.807 12.617 2.359 1.00 74.40 H new ATOM 0 HB2 PRO A 48 -7.360 13.028 3.376 1.00 0.22 H new ATOM 0 HB3 PRO A 48 -6.369 11.703 3.954 1.00 0.22 H new ATOM 0 HG2 PRO A 48 -6.823 14.409 5.198 1.00 63.55 H new ATOM 0 HG3 PRO A 48 -6.776 12.837 5.971 1.00 63.55 H new ATOM 0 HD2 PRO A 48 -4.638 14.523 6.036 1.00 73.02 H new ATOM 0 HD3 PRO A 48 -4.431 12.782 6.024 1.00 73.02 H new ATOM 716 N VAL A 49 -5.037 15.677 2.483 1.00 10.03 N ATOM 717 CA VAL A 49 -5.351 16.895 1.746 1.00 71.23 C ATOM 718 C VAL A 49 -4.330 17.147 0.642 1.00 55.43 C ATOM 719 O VAL A 49 -4.693 17.427 -0.501 1.00 44.03 O ATOM 720 CB VAL A 49 -5.396 18.120 2.678 1.00 32.11 C ATOM 721 CG1 VAL A 49 -5.143 19.398 1.893 1.00 10.13 C ATOM 722 CG2 VAL A 49 -6.731 18.187 3.405 1.00 23.44 C ATOM 0 H VAL A 49 -4.319 15.790 3.199 1.00 10.03 H new ATOM 0 HA VAL A 49 -6.336 16.751 1.301 1.00 71.23 H new ATOM 0 HB VAL A 49 -4.607 18.017 3.423 1.00 32.11 H new ATOM 0 HG11 VAL A 49 -5.179 20.253 2.568 1.00 10.13 H new ATOM 0 HG12 VAL A 49 -4.161 19.348 1.423 1.00 10.13 H new ATOM 0 HG13 VAL A 49 -5.908 19.510 1.125 1.00 10.13 H new ATOM 0 HG21 VAL A 49 -6.746 19.059 4.059 1.00 23.44 H new ATOM 0 HG22 VAL A 49 -7.538 18.266 2.677 1.00 23.44 H new ATOM 0 HG23 VAL A 49 -6.867 17.284 4.000 1.00 23.44 H new ATOM 732 N PHE A 50 -3.052 17.047 0.991 1.00 73.40 N ATOM 733 CA PHE A 50 -1.978 17.265 0.030 1.00 64.54 C ATOM 734 C PHE A 50 -1.999 16.198 -1.061 1.00 60.32 C ATOM 735 O PHE A 50 -2.345 16.475 -2.209 1.00 41.40 O ATOM 736 CB PHE A 50 -0.622 17.258 0.738 1.00 4.24 C ATOM 737 CG PHE A 50 -0.508 18.289 1.825 1.00 35.43 C ATOM 738 CD1 PHE A 50 -1.410 19.338 1.900 1.00 41.23 C ATOM 739 CD2 PHE A 50 0.500 18.208 2.772 1.00 33.24 C ATOM 740 CE1 PHE A 50 -1.309 20.288 2.899 1.00 61.11 C ATOM 741 CE2 PHE A 50 0.605 19.154 3.774 1.00 44.30 C ATOM 742 CZ PHE A 50 -0.299 20.196 3.837 1.00 51.24 C ATOM 0 H PHE A 50 -2.735 16.816 1.933 1.00 73.40 H new ATOM 0 HA PHE A 50 -2.133 18.239 -0.435 1.00 64.54 H new ATOM 0 HB2 PHE A 50 -0.449 16.270 1.165 1.00 4.24 H new ATOM 0 HB3 PHE A 50 0.164 17.429 0.002 1.00 4.24 H new ATOM 0 HD1 PHE A 50 -2.201 19.414 1.169 1.00 41.23 H new ATOM 0 HD2 PHE A 50 1.211 17.397 2.727 1.00 33.24 H new ATOM 0 HE1 PHE A 50 -2.019 21.101 2.946 1.00 61.11 H new ATOM 0 HE2 PHE A 50 1.394 19.078 4.508 1.00 44.30 H new ATOM 0 HZ PHE A 50 -0.217 20.937 4.618 1.00 51.24 H new ATOM 752 N ALA A 51 -1.626 14.976 -0.693 1.00 40.33 N ATOM 753 CA ALA A 51 -1.603 13.867 -1.639 1.00 14.22 C ATOM 754 C ALA A 51 -2.868 13.847 -2.491 1.00 62.41 C ATOM 755 O ALA A 51 -2.801 13.716 -3.713 1.00 30.43 O ATOM 756 CB ALA A 51 -1.441 12.547 -0.900 1.00 41.10 C ATOM 0 H ALA A 51 -1.336 14.729 0.253 1.00 40.33 H new ATOM 0 HA ALA A 51 -0.750 14.006 -2.304 1.00 14.22 H new ATOM 0 HB1 ALA A 51 -1.425 11.727 -1.618 1.00 41.10 H new ATOM 0 HB2 ALA A 51 -0.506 12.556 -0.340 1.00 41.10 H new ATOM 0 HB3 ALA A 51 -2.275 12.410 -0.212 1.00 41.10 H new ATOM 762 N GLU A 52 -4.018 13.976 -1.838 1.00 34.00 N ATOM 763 CA GLU A 52 -5.298 13.970 -2.537 1.00 41.35 C ATOM 764 C GLU A 52 -5.409 15.167 -3.478 1.00 12.24 C ATOM 765 O GLU A 52 -6.022 15.079 -4.542 1.00 44.31 O ATOM 766 CB GLU A 52 -6.453 13.987 -1.534 1.00 60.31 C ATOM 767 CG GLU A 52 -6.999 15.377 -1.257 1.00 51.44 C ATOM 768 CD GLU A 52 -8.245 15.354 -0.393 1.00 62.40 C ATOM 769 OE1 GLU A 52 -9.157 14.554 -0.688 1.00 52.01 O ATOM 770 OE2 GLU A 52 -8.306 16.135 0.579 1.00 14.22 O ATOM 0 H GLU A 52 -4.090 14.086 -0.826 1.00 34.00 H new ATOM 0 HA GLU A 52 -5.355 13.057 -3.129 1.00 41.35 H new ATOM 0 HB2 GLU A 52 -7.259 13.358 -1.911 1.00 60.31 H new ATOM 0 HB3 GLU A 52 -6.115 13.545 -0.597 1.00 60.31 H new ATOM 0 HG2 GLU A 52 -6.231 15.973 -0.764 1.00 51.44 H new ATOM 0 HG3 GLU A 52 -7.226 15.869 -2.203 1.00 51.44 H new ATOM 777 N TYR A 53 -4.814 16.285 -3.076 1.00 64.50 N ATOM 778 CA TYR A 53 -4.848 17.500 -3.880 1.00 41.41 C ATOM 779 C TYR A 53 -4.029 17.333 -5.156 1.00 71.34 C ATOM 780 O TYR A 53 -4.490 17.659 -6.250 1.00 23.20 O ATOM 781 CB TYR A 53 -4.317 18.686 -3.072 1.00 52.15 C ATOM 782 CG TYR A 53 -5.338 19.282 -2.130 1.00 53.42 C ATOM 783 CD1 TYR A 53 -6.566 18.665 -1.924 1.00 21.23 C ATOM 784 CD2 TYR A 53 -5.076 20.464 -1.447 1.00 73.43 C ATOM 785 CE1 TYR A 53 -7.502 19.206 -1.064 1.00 53.33 C ATOM 786 CE2 TYR A 53 -6.006 21.011 -0.585 1.00 11.41 C ATOM 787 CZ TYR A 53 -7.218 20.379 -0.397 1.00 5.30 C ATOM 788 OH TYR A 53 -8.147 20.923 0.460 1.00 21.42 O ATOM 0 H TYR A 53 -4.303 16.374 -2.198 1.00 64.50 H new ATOM 0 HA TYR A 53 -5.884 17.692 -4.158 1.00 41.41 H new ATOM 0 HB2 TYR A 53 -3.449 18.364 -2.497 1.00 52.15 H new ATOM 0 HB3 TYR A 53 -3.974 19.459 -3.760 1.00 52.15 H new ATOM 0 HD1 TYR A 53 -6.793 17.747 -2.445 1.00 21.23 H new ATOM 0 HD2 TYR A 53 -4.129 20.963 -1.593 1.00 73.43 H new ATOM 0 HE1 TYR A 53 -8.451 18.713 -0.915 1.00 53.33 H new ATOM 0 HE2 TYR A 53 -5.786 21.929 -0.061 1.00 11.41 H new ATOM 0 HH TYR A 53 -7.789 21.748 0.849 1.00 21.42 H new ATOM 798 N ALA A 54 -2.812 16.821 -5.008 1.00 23.14 N ATOM 799 CA ALA A 54 -1.929 16.607 -6.147 1.00 65.42 C ATOM 800 C ALA A 54 -2.702 16.073 -7.348 1.00 62.12 C ATOM 801 O ALA A 54 -2.509 16.527 -8.476 1.00 40.51 O ATOM 802 CB ALA A 54 -0.806 15.650 -5.772 1.00 41.55 C ATOM 0 H ALA A 54 -2.415 16.547 -4.109 1.00 23.14 H new ATOM 0 HA ALA A 54 -1.496 17.568 -6.425 1.00 65.42 H new ATOM 0 HB1 ALA A 54 -0.154 15.499 -6.632 1.00 41.55 H new ATOM 0 HB2 ALA A 54 -0.229 16.071 -4.949 1.00 41.55 H new ATOM 0 HB3 ALA A 54 -1.230 14.694 -5.466 1.00 41.55 H new ATOM 808 N LYS A 55 -3.577 15.105 -7.100 1.00 34.14 N ATOM 809 CA LYS A 55 -4.381 14.509 -8.160 1.00 20.50 C ATOM 810 C LYS A 55 -5.522 15.436 -8.565 1.00 42.44 C ATOM 811 O LYS A 55 -5.834 15.574 -9.749 1.00 5.05 O ATOM 812 CB LYS A 55 -4.943 13.160 -7.705 1.00 15.12 C ATOM 813 CG LYS A 55 -3.904 12.248 -7.077 1.00 2.13 C ATOM 814 CD LYS A 55 -4.548 11.198 -6.187 1.00 3.00 C ATOM 815 CE LYS A 55 -5.516 10.324 -6.968 1.00 74.42 C ATOM 816 NZ LYS A 55 -4.832 9.155 -7.588 1.00 55.24 N ATOM 0 H LYS A 55 -3.748 14.716 -6.173 1.00 34.14 H new ATOM 0 HA LYS A 55 -3.737 14.354 -9.026 1.00 20.50 H new ATOM 0 HB2 LYS A 55 -5.744 13.334 -6.986 1.00 15.12 H new ATOM 0 HB3 LYS A 55 -5.388 12.654 -8.562 1.00 15.12 H new ATOM 0 HG2 LYS A 55 -3.328 11.757 -7.861 1.00 2.13 H new ATOM 0 HG3 LYS A 55 -3.203 12.843 -6.491 1.00 2.13 H new ATOM 0 HD2 LYS A 55 -3.774 10.575 -5.739 1.00 3.00 H new ATOM 0 HD3 LYS A 55 -5.077 11.687 -5.369 1.00 3.00 H new ATOM 0 HE2 LYS A 55 -6.305 9.972 -6.303 1.00 74.42 H new ATOM 0 HE3 LYS A 55 -5.996 10.918 -7.746 1.00 74.42 H new ATOM 0 HZ1 LYS A 55 -5.526 8.584 -8.111 1.00 55.24 H new ATOM 0 HZ2 LYS A 55 -4.096 9.490 -8.242 1.00 55.24 H new ATOM 0 HZ3 LYS A 55 -4.396 8.573 -6.844 1.00 55.24 H new ATOM 830 N LYS A 56 -6.141 16.072 -7.577 1.00 1.44 N ATOM 831 CA LYS A 56 -7.245 16.990 -7.830 1.00 35.14 C ATOM 832 C LYS A 56 -6.809 18.127 -8.747 1.00 43.42 C ATOM 833 O LYS A 56 -7.629 18.729 -9.441 1.00 32.32 O ATOM 834 CB LYS A 56 -7.775 17.559 -6.511 1.00 72.33 C ATOM 835 CG LYS A 56 -8.416 16.515 -5.612 1.00 42.25 C ATOM 836 CD LYS A 56 -9.789 16.958 -5.135 1.00 24.13 C ATOM 837 CE LYS A 56 -9.716 18.272 -4.372 1.00 54.02 C ATOM 838 NZ LYS A 56 -11.053 18.918 -4.253 1.00 3.21 N ATOM 0 H LYS A 56 -5.897 15.969 -6.592 1.00 1.44 H new ATOM 0 HA LYS A 56 -8.041 16.433 -8.325 1.00 35.14 H new ATOM 0 HB2 LYS A 56 -6.954 18.034 -5.974 1.00 72.33 H new ATOM 0 HB3 LYS A 56 -8.506 18.337 -6.729 1.00 72.33 H new ATOM 0 HG2 LYS A 56 -8.504 15.573 -6.153 1.00 42.25 H new ATOM 0 HG3 LYS A 56 -7.773 16.330 -4.752 1.00 42.25 H new ATOM 0 HD2 LYS A 56 -10.454 17.069 -5.991 1.00 24.13 H new ATOM 0 HD3 LYS A 56 -10.219 16.188 -4.495 1.00 24.13 H new ATOM 0 HE2 LYS A 56 -9.309 18.092 -3.377 1.00 54.02 H new ATOM 0 HE3 LYS A 56 -9.029 18.949 -4.879 1.00 54.02 H new ATOM 0 HZ1 LYS A 56 -10.962 19.811 -3.727 1.00 3.21 H new ATOM 0 HZ2 LYS A 56 -11.430 19.113 -5.202 1.00 3.21 H new ATOM 0 HZ3 LYS A 56 -11.702 18.282 -3.746 1.00 3.21 H new ATOM 852 N PHE A 57 -5.512 18.417 -8.747 1.00 63.22 N ATOM 853 CA PHE A 57 -4.966 19.482 -9.580 1.00 60.03 C ATOM 854 C PHE A 57 -3.989 18.921 -10.609 1.00 43.22 C ATOM 855 O PHE A 57 -2.781 18.851 -10.382 1.00 22.34 O ATOM 856 CB PHE A 57 -4.265 20.529 -8.712 1.00 70.02 C ATOM 857 CG PHE A 57 -5.188 21.596 -8.197 1.00 72.01 C ATOM 858 CD1 PHE A 57 -5.414 22.749 -8.932 1.00 35.41 C ATOM 859 CD2 PHE A 57 -5.830 21.446 -6.978 1.00 51.14 C ATOM 860 CE1 PHE A 57 -6.263 23.732 -8.460 1.00 2.22 C ATOM 861 CE2 PHE A 57 -6.680 22.426 -6.501 1.00 41.22 C ATOM 862 CZ PHE A 57 -6.897 23.570 -7.244 1.00 13.34 C ATOM 0 H PHE A 57 -4.819 17.929 -8.179 1.00 63.22 H new ATOM 0 HA PHE A 57 -5.793 19.955 -10.110 1.00 60.03 H new ATOM 0 HB2 PHE A 57 -3.792 20.030 -7.866 1.00 70.02 H new ATOM 0 HB3 PHE A 57 -3.470 20.997 -9.292 1.00 70.02 H new ATOM 0 HD1 PHE A 57 -4.921 22.881 -9.884 1.00 35.41 H new ATOM 0 HD2 PHE A 57 -5.664 20.553 -6.394 1.00 51.14 H new ATOM 0 HE1 PHE A 57 -6.431 24.626 -9.042 1.00 2.22 H new ATOM 0 HE2 PHE A 57 -7.174 22.297 -5.549 1.00 41.22 H new ATOM 0 HZ PHE A 57 -7.562 24.337 -6.874 1.00 13.34 H new ATOM 872 N PRO A 58 -4.522 18.511 -11.770 1.00 14.55 N ATOM 873 CA PRO A 58 -3.716 17.949 -12.857 1.00 50.51 C ATOM 874 C PRO A 58 -2.829 18.997 -13.522 1.00 72.40 C ATOM 875 O PRO A 58 -2.005 18.674 -14.376 1.00 43.12 O ATOM 876 CB PRO A 58 -4.764 17.432 -13.845 1.00 34.41 C ATOM 877 CG PRO A 58 -5.975 18.259 -13.581 1.00 42.23 C ATOM 878 CD PRO A 58 -5.954 18.566 -12.109 1.00 72.14 C ATOM 0 HA PRO A 58 -3.030 17.180 -12.501 1.00 50.51 H new ATOM 0 HB2 PRO A 58 -4.426 17.543 -14.875 1.00 34.41 H new ATOM 0 HB3 PRO A 58 -4.967 16.372 -13.689 1.00 34.41 H new ATOM 0 HG2 PRO A 58 -5.958 19.175 -14.171 1.00 42.23 H new ATOM 0 HG3 PRO A 58 -6.882 17.721 -13.854 1.00 42.23 H new ATOM 0 HD2 PRO A 58 -6.380 19.547 -11.897 1.00 72.14 H new ATOM 0 HD3 PRO A 58 -6.530 17.838 -11.538 1.00 72.14 H new ATOM 886 N GLY A 59 -3.004 20.253 -13.124 1.00 11.23 N ATOM 887 CA GLY A 59 -2.212 21.328 -13.691 1.00 40.44 C ATOM 888 C GLY A 59 -0.927 21.569 -12.925 1.00 24.22 C ATOM 889 O GLY A 59 -0.323 22.636 -13.031 1.00 60.11 O ATOM 0 H GLY A 59 -3.680 20.545 -12.419 1.00 11.23 H new ATOM 0 HA2 GLY A 59 -1.974 21.091 -14.728 1.00 40.44 H new ATOM 0 HA3 GLY A 59 -2.803 22.244 -13.700 1.00 40.44 H new ATOM 893 N ALA A 60 -0.508 20.575 -12.149 1.00 24.33 N ATOM 894 CA ALA A 60 0.714 20.683 -11.361 1.00 43.14 C ATOM 895 C ALA A 60 1.383 19.323 -11.196 1.00 23.20 C ATOM 896 O ALA A 60 0.794 18.288 -11.508 1.00 31.24 O ATOM 897 CB ALA A 60 0.413 21.294 -10.001 1.00 2.20 C ATOM 0 H ALA A 60 -0.997 19.685 -12.049 1.00 24.33 H new ATOM 0 HA ALA A 60 1.405 21.336 -11.895 1.00 43.14 H new ATOM 0 HB1 ALA A 60 1.334 21.369 -9.424 1.00 2.20 H new ATOM 0 HB2 ALA A 60 -0.013 22.288 -10.135 1.00 2.20 H new ATOM 0 HB3 ALA A 60 -0.299 20.663 -9.468 1.00 2.20 H new ATOM 903 N VAL A 61 2.618 19.332 -10.704 1.00 62.42 N ATOM 904 CA VAL A 61 3.367 18.098 -10.497 1.00 45.10 C ATOM 905 C VAL A 61 3.347 17.683 -9.030 1.00 62.54 C ATOM 906 O VAL A 61 3.340 16.494 -8.711 1.00 34.51 O ATOM 907 CB VAL A 61 4.830 18.246 -10.957 1.00 71.33 C ATOM 908 CG1 VAL A 61 4.894 18.527 -12.451 1.00 1.23 C ATOM 909 CG2 VAL A 61 5.528 19.344 -10.169 1.00 31.40 C ATOM 0 H VAL A 61 3.121 20.180 -10.441 1.00 62.42 H new ATOM 0 HA VAL A 61 2.881 17.328 -11.096 1.00 45.10 H new ATOM 0 HB VAL A 61 5.350 17.307 -10.766 1.00 71.33 H new ATOM 0 HG11 VAL A 61 5.935 18.629 -12.758 1.00 1.23 H new ATOM 0 HG12 VAL A 61 4.434 17.703 -12.996 1.00 1.23 H new ATOM 0 HG13 VAL A 61 4.359 19.451 -12.671 1.00 1.23 H new ATOM 0 HG21 VAL A 61 6.560 19.435 -10.507 1.00 31.40 H new ATOM 0 HG22 VAL A 61 5.010 20.290 -10.326 1.00 31.40 H new ATOM 0 HG23 VAL A 61 5.514 19.095 -9.108 1.00 31.40 H new ATOM 919 N PHE A 62 3.338 18.670 -8.141 1.00 41.24 N ATOM 920 CA PHE A 62 3.319 18.408 -6.707 1.00 61.41 C ATOM 921 C PHE A 62 4.496 17.526 -6.300 1.00 32.40 C ATOM 922 O PHE A 62 5.100 16.851 -7.136 1.00 15.44 O ATOM 923 CB PHE A 62 2.003 17.738 -6.307 1.00 72.21 C ATOM 924 CG PHE A 62 0.805 18.631 -6.460 1.00 50.01 C ATOM 925 CD1 PHE A 62 0.174 18.762 -7.687 1.00 21.13 C ATOM 926 CD2 PHE A 62 0.310 19.339 -5.377 1.00 54.22 C ATOM 927 CE1 PHE A 62 -0.928 19.584 -7.830 1.00 63.22 C ATOM 928 CE2 PHE A 62 -0.792 20.162 -5.515 1.00 13.45 C ATOM 929 CZ PHE A 62 -1.412 20.284 -6.743 1.00 33.14 C ATOM 0 H PHE A 62 3.344 19.659 -8.389 1.00 41.24 H new ATOM 0 HA PHE A 62 3.406 19.362 -6.187 1.00 61.41 H new ATOM 0 HB2 PHE A 62 1.860 16.844 -6.915 1.00 72.21 H new ATOM 0 HB3 PHE A 62 2.072 17.410 -5.270 1.00 72.21 H new ATOM 0 HD1 PHE A 62 0.547 18.216 -8.541 1.00 21.13 H new ATOM 0 HD2 PHE A 62 0.790 19.247 -4.414 1.00 54.22 H new ATOM 0 HE1 PHE A 62 -1.410 19.679 -8.792 1.00 63.22 H new ATOM 0 HE2 PHE A 62 -1.168 20.709 -4.663 1.00 13.45 H new ATOM 0 HZ PHE A 62 -2.274 20.926 -6.853 1.00 33.14 H new ATOM 939 N LEU A 63 4.817 17.536 -5.011 1.00 32.10 N ATOM 940 CA LEU A 63 5.922 16.738 -4.491 1.00 73.43 C ATOM 941 C LEU A 63 6.382 17.263 -3.135 1.00 63.14 C ATOM 942 O LEU A 63 6.323 18.464 -2.869 1.00 75.53 O ATOM 943 CB LEU A 63 7.091 16.745 -5.478 1.00 13.41 C ATOM 944 CG LEU A 63 8.487 16.623 -4.866 1.00 15.23 C ATOM 945 CD1 LEU A 63 9.066 15.242 -5.129 1.00 72.11 C ATOM 946 CD2 LEU A 63 9.407 17.703 -5.416 1.00 14.22 C ATOM 0 H LEU A 63 4.328 18.088 -4.307 1.00 32.10 H new ATOM 0 HA LEU A 63 5.570 15.714 -4.363 1.00 73.43 H new ATOM 0 HB2 LEU A 63 6.951 15.924 -6.181 1.00 13.41 H new ATOM 0 HB3 LEU A 63 7.048 17.669 -6.054 1.00 13.41 H new ATOM 0 HG LEU A 63 8.403 16.760 -3.788 1.00 15.23 H new ATOM 0 HD11 LEU A 63 10.060 15.174 -4.686 1.00 72.11 H new ATOM 0 HD12 LEU A 63 8.418 14.486 -4.686 1.00 72.11 H new ATOM 0 HD13 LEU A 63 9.136 15.075 -6.204 1.00 72.11 H new ATOM 0 HD21 LEU A 63 10.396 17.601 -4.969 1.00 14.22 H new ATOM 0 HD22 LEU A 63 9.485 17.598 -6.498 1.00 14.22 H new ATOM 0 HD23 LEU A 63 9.000 18.685 -5.175 1.00 14.22 H new ATOM 958 N LYS A 64 6.844 16.356 -2.281 1.00 62.02 N ATOM 959 CA LYS A 64 7.319 16.727 -0.953 1.00 61.34 C ATOM 960 C LYS A 64 8.774 16.312 -0.761 1.00 5.52 C ATOM 961 O LYS A 64 9.163 15.196 -1.103 1.00 60.40 O ATOM 962 CB LYS A 64 6.446 16.077 0.123 1.00 42.03 C ATOM 963 CG LYS A 64 7.221 15.188 1.079 1.00 23.35 C ATOM 964 CD LYS A 64 6.290 14.361 1.951 1.00 42.15 C ATOM 965 CE LYS A 64 5.223 13.664 1.121 1.00 51.23 C ATOM 966 NZ LYS A 64 4.838 12.349 1.703 1.00 25.33 N ATOM 0 H LYS A 64 6.900 15.358 -2.485 1.00 62.02 H new ATOM 0 HA LYS A 64 7.253 17.811 -0.860 1.00 61.34 H new ATOM 0 HB2 LYS A 64 5.944 16.859 0.693 1.00 42.03 H new ATOM 0 HB3 LYS A 64 5.668 15.486 -0.360 1.00 42.03 H new ATOM 0 HG2 LYS A 64 7.874 14.525 0.512 1.00 23.35 H new ATOM 0 HG3 LYS A 64 7.862 15.803 1.711 1.00 23.35 H new ATOM 0 HD2 LYS A 64 6.868 13.618 2.500 1.00 42.15 H new ATOM 0 HD3 LYS A 64 5.814 15.005 2.691 1.00 42.15 H new ATOM 0 HE2 LYS A 64 4.342 14.302 1.052 1.00 51.23 H new ATOM 0 HE3 LYS A 64 5.591 13.518 0.105 1.00 51.23 H new ATOM 0 HZ1 LYS A 64 4.464 11.733 0.953 1.00 25.33 H new ATOM 0 HZ2 LYS A 64 5.673 11.902 2.134 1.00 25.33 H new ATOM 0 HZ3 LYS A 64 4.108 12.491 2.430 1.00 25.33 H new ATOM 980 N VAL A 65 9.575 17.219 -0.210 1.00 1.24 N ATOM 981 CA VAL A 65 10.987 16.947 0.031 1.00 21.21 C ATOM 982 C VAL A 65 11.355 17.200 1.489 1.00 41.44 C ATOM 983 O VAL A 65 10.602 17.833 2.229 1.00 52.33 O ATOM 984 CB VAL A 65 11.887 17.811 -0.872 1.00 62.10 C ATOM 985 CG1 VAL A 65 11.121 18.279 -2.100 1.00 35.24 C ATOM 986 CG2 VAL A 65 12.440 18.996 -0.095 1.00 2.01 C ATOM 0 H VAL A 65 9.270 18.149 0.078 1.00 1.24 H new ATOM 0 HA VAL A 65 11.151 15.895 -0.204 1.00 21.21 H new ATOM 0 HB VAL A 65 12.726 17.202 -1.208 1.00 62.10 H new ATOM 0 HG11 VAL A 65 11.774 18.888 -2.726 1.00 35.24 H new ATOM 0 HG12 VAL A 65 10.779 17.413 -2.667 1.00 35.24 H new ATOM 0 HG13 VAL A 65 10.261 18.872 -1.788 1.00 35.24 H new ATOM 0 HG21 VAL A 65 13.074 19.596 -0.748 1.00 2.01 H new ATOM 0 HG22 VAL A 65 11.615 19.607 0.272 1.00 2.01 H new ATOM 0 HG23 VAL A 65 13.028 18.635 0.749 1.00 2.01 H new ATOM 996 N ASP A 66 12.518 16.703 1.894 1.00 20.25 N ATOM 997 CA ASP A 66 12.988 16.877 3.264 1.00 32.41 C ATOM 998 C ASP A 66 14.187 17.818 3.312 1.00 63.22 C ATOM 999 O ASP A 66 15.225 17.550 2.705 1.00 34.13 O ATOM 1000 CB ASP A 66 13.360 15.524 3.873 1.00 4.15 C ATOM 1001 CG ASP A 66 13.467 15.580 5.385 1.00 75.42 C ATOM 1002 OD1 ASP A 66 12.746 16.393 6.000 1.00 31.42 O ATOM 1003 OD2 ASP A 66 14.271 14.811 5.952 1.00 31.31 O ATOM 0 H ASP A 66 13.153 16.177 1.294 1.00 20.25 H new ATOM 0 HA ASP A 66 12.180 17.319 3.846 1.00 32.41 H new ATOM 0 HB2 ASP A 66 12.611 14.784 3.592 1.00 4.15 H new ATOM 0 HB3 ASP A 66 14.310 15.190 3.456 1.00 4.15 H new ATOM 1008 N VAL A 67 14.038 18.922 4.036 1.00 11.41 N ATOM 1009 CA VAL A 67 15.109 19.904 4.163 1.00 34.12 C ATOM 1010 C VAL A 67 16.101 19.497 5.246 1.00 24.02 C ATOM 1011 O VAL A 67 16.671 20.347 5.931 1.00 21.54 O ATOM 1012 CB VAL A 67 14.552 21.302 4.491 1.00 2.14 C ATOM 1013 CG1 VAL A 67 13.503 21.713 3.470 1.00 73.32 C ATOM 1014 CG2 VAL A 67 13.977 21.329 5.899 1.00 13.13 C ATOM 0 H VAL A 67 13.186 19.159 4.544 1.00 11.41 H new ATOM 0 HA VAL A 67 15.621 19.942 3.201 1.00 34.12 H new ATOM 0 HB VAL A 67 15.371 22.020 4.443 1.00 2.14 H new ATOM 0 HG11 VAL A 67 13.121 22.703 3.719 1.00 73.32 H new ATOM 0 HG12 VAL A 67 13.951 21.736 2.477 1.00 73.32 H new ATOM 0 HG13 VAL A 67 12.683 20.995 3.481 1.00 73.32 H new ATOM 0 HG21 VAL A 67 13.588 22.324 6.114 1.00 13.13 H new ATOM 0 HG22 VAL A 67 13.171 20.600 5.977 1.00 13.13 H new ATOM 0 HG23 VAL A 67 14.760 21.083 6.616 1.00 13.13 H new ATOM 1024 N ASP A 68 16.304 18.193 5.395 1.00 64.41 N ATOM 1025 CA ASP A 68 17.230 17.672 6.394 1.00 63.10 C ATOM 1026 C ASP A 68 18.233 16.713 5.759 1.00 55.33 C ATOM 1027 O ASP A 68 19.298 16.455 6.318 1.00 73.43 O ATOM 1028 CB ASP A 68 16.463 16.961 7.510 1.00 1.41 C ATOM 1029 CG ASP A 68 16.973 17.331 8.889 1.00 12.12 C ATOM 1030 OD1 ASP A 68 17.028 18.540 9.197 1.00 11.33 O ATOM 1031 OD2 ASP A 68 17.316 16.411 9.661 1.00 53.32 O ATOM 0 H ASP A 68 15.840 17.477 4.837 1.00 64.41 H new ATOM 0 HA ASP A 68 17.778 18.513 6.819 1.00 63.10 H new ATOM 0 HB2 ASP A 68 15.405 17.213 7.437 1.00 1.41 H new ATOM 0 HB3 ASP A 68 16.544 15.883 7.373 1.00 1.41 H new ATOM 1036 N GLU A 69 17.882 16.189 4.588 1.00 4.12 N ATOM 1037 CA GLU A 69 18.751 15.257 3.879 1.00 43.53 C ATOM 1038 C GLU A 69 19.222 15.853 2.555 1.00 2.10 C ATOM 1039 O GLU A 69 20.358 15.635 2.132 1.00 4.12 O ATOM 1040 CB GLU A 69 18.021 13.937 3.625 1.00 23.22 C ATOM 1041 CG GLU A 69 16.811 14.075 2.717 1.00 63.24 C ATOM 1042 CD GLU A 69 15.898 12.866 2.774 1.00 71.33 C ATOM 1043 OE1 GLU A 69 16.411 11.730 2.701 1.00 62.21 O ATOM 1044 OE2 GLU A 69 14.669 13.056 2.891 1.00 2.24 O ATOM 0 H GLU A 69 17.004 16.394 4.111 1.00 4.12 H new ATOM 0 HA GLU A 69 19.624 15.067 4.504 1.00 43.53 H new ATOM 0 HB2 GLU A 69 18.718 13.226 3.182 1.00 23.22 H new ATOM 0 HB3 GLU A 69 17.702 13.518 4.580 1.00 23.22 H new ATOM 0 HG2 GLU A 69 16.248 14.964 3.001 1.00 63.24 H new ATOM 0 HG3 GLU A 69 17.147 14.224 1.691 1.00 63.24 H new ATOM 1051 N LEU A 70 18.341 16.606 1.905 1.00 21.51 N ATOM 1052 CA LEU A 70 18.665 17.233 0.629 1.00 41.23 C ATOM 1053 C LEU A 70 18.422 18.738 0.685 1.00 72.15 C ATOM 1054 O LEU A 70 18.198 19.380 -0.342 1.00 1.43 O ATOM 1055 CB LEU A 70 17.832 16.612 -0.494 1.00 30.44 C ATOM 1056 CG LEU A 70 16.402 17.134 -0.636 1.00 41.24 C ATOM 1057 CD1 LEU A 70 15.908 16.955 -2.064 1.00 23.04 C ATOM 1058 CD2 LEU A 70 15.476 16.428 0.343 1.00 11.10 C ATOM 0 H LEU A 70 17.397 16.797 2.241 1.00 21.51 H new ATOM 0 HA LEU A 70 19.722 17.061 0.426 1.00 41.23 H new ATOM 0 HB2 LEU A 70 18.352 16.775 -1.438 1.00 30.44 H new ATOM 0 HB3 LEU A 70 17.790 15.534 -0.335 1.00 30.44 H new ATOM 0 HG LEU A 70 16.400 18.199 -0.403 1.00 41.24 H new ATOM 0 HD11 LEU A 70 14.889 17.332 -2.146 1.00 23.04 H new ATOM 0 HD12 LEU A 70 16.555 17.508 -2.745 1.00 23.04 H new ATOM 0 HD13 LEU A 70 15.926 15.897 -2.325 1.00 23.04 H new ATOM 0 HD21 LEU A 70 14.463 16.813 0.227 1.00 11.10 H new ATOM 0 HD22 LEU A 70 15.483 15.357 0.142 1.00 11.10 H new ATOM 0 HD23 LEU A 70 15.818 16.608 1.362 1.00 11.10 H new ATOM 1070 N LYS A 71 18.469 19.295 1.890 1.00 41.33 N ATOM 1071 CA LYS A 71 18.258 20.725 2.081 1.00 54.23 C ATOM 1072 C LYS A 71 18.762 21.515 0.877 1.00 10.44 C ATOM 1073 O LYS A 71 18.187 22.540 0.512 1.00 60.02 O ATOM 1074 CB LYS A 71 18.967 21.201 3.351 1.00 53.45 C ATOM 1075 CG LYS A 71 20.005 20.222 3.871 1.00 15.22 C ATOM 1076 CD LYS A 71 21.273 20.935 4.310 1.00 32.21 C ATOM 1077 CE LYS A 71 22.271 21.051 3.168 1.00 34.10 C ATOM 1078 NZ LYS A 71 23.637 20.624 3.579 1.00 34.34 N ATOM 0 H LYS A 71 18.652 18.777 2.750 1.00 41.33 H new ATOM 0 HA LYS A 71 17.187 20.898 2.184 1.00 54.23 H new ATOM 0 HB2 LYS A 71 19.450 22.157 3.151 1.00 53.45 H new ATOM 0 HB3 LYS A 71 18.223 21.376 4.128 1.00 53.45 H new ATOM 0 HG2 LYS A 71 19.591 19.663 4.711 1.00 15.22 H new ATOM 0 HG3 LYS A 71 20.245 19.497 3.093 1.00 15.22 H new ATOM 0 HD2 LYS A 71 21.023 21.930 4.679 1.00 32.21 H new ATOM 0 HD3 LYS A 71 21.728 20.393 5.139 1.00 32.21 H new ATOM 0 HE2 LYS A 71 21.936 20.440 2.330 1.00 34.10 H new ATOM 0 HE3 LYS A 71 22.303 22.083 2.817 1.00 34.10 H new ATOM 0 HZ1 LYS A 71 24.287 20.718 2.773 1.00 34.34 H new ATOM 0 HZ2 LYS A 71 23.967 21.224 4.362 1.00 34.34 H new ATOM 0 HZ3 LYS A 71 23.612 19.632 3.890 1.00 34.34 H new ATOM 1092 N GLU A 72 19.838 21.031 0.266 1.00 64.11 N ATOM 1093 CA GLU A 72 20.418 21.693 -0.897 1.00 24.13 C ATOM 1094 C GLU A 72 19.330 22.305 -1.774 1.00 32.22 C ATOM 1095 O GLU A 72 19.559 23.297 -2.465 1.00 51.24 O ATOM 1096 CB GLU A 72 21.250 20.702 -1.714 1.00 32.33 C ATOM 1097 CG GLU A 72 20.417 19.806 -2.615 1.00 55.32 C ATOM 1098 CD GLU A 72 21.228 18.686 -3.236 1.00 21.44 C ATOM 1099 OE1 GLU A 72 22.100 18.980 -4.080 1.00 15.42 O ATOM 1100 OE2 GLU A 72 20.991 17.513 -2.876 1.00 3.21 O ATOM 0 H GLU A 72 20.326 20.184 0.556 1.00 64.11 H new ATOM 0 HA GLU A 72 21.066 22.494 -0.541 1.00 24.13 H new ATOM 0 HB2 GLU A 72 21.963 21.256 -2.325 1.00 32.33 H new ATOM 0 HB3 GLU A 72 21.830 20.080 -1.033 1.00 32.33 H new ATOM 0 HG2 GLU A 72 19.597 19.379 -2.038 1.00 55.32 H new ATOM 0 HG3 GLU A 72 19.970 20.408 -3.406 1.00 55.32 H new ATOM 1107 N VAL A 73 18.144 21.705 -1.740 1.00 61.32 N ATOM 1108 CA VAL A 73 17.019 22.190 -2.531 1.00 22.21 C ATOM 1109 C VAL A 73 16.342 23.375 -1.853 1.00 52.51 C ATOM 1110 O VAL A 73 16.042 24.382 -2.495 1.00 34.23 O ATOM 1111 CB VAL A 73 15.976 21.080 -2.763 1.00 2.35 C ATOM 1112 CG1 VAL A 73 14.778 21.625 -3.525 1.00 32.40 C ATOM 1113 CG2 VAL A 73 16.602 19.908 -3.503 1.00 32.22 C ATOM 0 H VAL A 73 17.938 20.882 -1.173 1.00 61.32 H new ATOM 0 HA VAL A 73 17.421 22.507 -3.493 1.00 22.21 H new ATOM 0 HB VAL A 73 15.628 20.723 -1.794 1.00 2.35 H new ATOM 0 HG11 VAL A 73 14.052 20.827 -3.680 1.00 32.40 H new ATOM 0 HG12 VAL A 73 14.317 22.429 -2.951 1.00 32.40 H new ATOM 0 HG13 VAL A 73 15.106 22.010 -4.491 1.00 32.40 H new ATOM 0 HG21 VAL A 73 15.851 19.133 -3.658 1.00 32.22 H new ATOM 0 HG22 VAL A 73 16.979 20.247 -4.468 1.00 32.22 H new ATOM 0 HG23 VAL A 73 17.425 19.503 -2.914 1.00 32.22 H new ATOM 1123 N ALA A 74 16.104 23.250 -0.552 1.00 22.54 N ATOM 1124 CA ALA A 74 15.464 24.312 0.214 1.00 24.24 C ATOM 1125 C ALA A 74 16.315 25.578 0.214 1.00 31.41 C ATOM 1126 O ALA A 74 15.800 26.682 0.388 1.00 22.53 O ATOM 1127 CB ALA A 74 15.203 23.850 1.640 1.00 15.03 C ATOM 0 H ALA A 74 16.345 22.423 -0.006 1.00 22.54 H new ATOM 0 HA ALA A 74 14.511 24.546 -0.261 1.00 24.24 H new ATOM 0 HB1 ALA A 74 14.725 24.653 2.201 1.00 15.03 H new ATOM 0 HB2 ALA A 74 14.549 22.978 1.626 1.00 15.03 H new ATOM 0 HB3 ALA A 74 16.148 23.588 2.116 1.00 15.03 H new ATOM 1133 N GLU A 75 17.619 25.409 0.018 1.00 71.11 N ATOM 1134 CA GLU A 75 18.540 26.539 -0.003 1.00 40.11 C ATOM 1135 C GLU A 75 18.422 27.313 -1.313 1.00 14.11 C ATOM 1136 O GLU A 75 18.491 28.542 -1.330 1.00 12.32 O ATOM 1137 CB GLU A 75 19.979 26.056 0.188 1.00 3.23 C ATOM 1138 CG GLU A 75 20.130 25.011 1.281 1.00 5.41 C ATOM 1139 CD GLU A 75 21.086 25.446 2.375 1.00 21.14 C ATOM 1140 OE1 GLU A 75 20.763 26.414 3.095 1.00 55.44 O ATOM 1141 OE2 GLU A 75 22.157 24.818 2.513 1.00 53.34 O ATOM 0 H GLU A 75 18.061 24.501 -0.128 1.00 71.11 H new ATOM 0 HA GLU A 75 18.276 27.205 0.818 1.00 40.11 H new ATOM 0 HB2 GLU A 75 20.342 25.641 -0.752 1.00 3.23 H new ATOM 0 HB3 GLU A 75 20.612 26.911 0.425 1.00 3.23 H new ATOM 0 HG2 GLU A 75 19.153 24.804 1.718 1.00 5.41 H new ATOM 0 HG3 GLU A 75 20.486 24.079 0.841 1.00 5.41 H new ATOM 1148 N LYS A 76 18.243 26.585 -2.410 1.00 23.43 N ATOM 1149 CA LYS A 76 18.114 27.200 -3.725 1.00 44.21 C ATOM 1150 C LYS A 76 16.869 28.078 -3.795 1.00 71.14 C ATOM 1151 O LYS A 76 16.871 29.125 -4.443 1.00 4.10 O ATOM 1152 CB LYS A 76 18.054 26.124 -4.811 1.00 64.41 C ATOM 1153 CG LYS A 76 16.643 25.796 -5.266 1.00 13.13 C ATOM 1154 CD LYS A 76 16.570 24.425 -5.916 1.00 63.14 C ATOM 1155 CE LYS A 76 16.375 24.532 -7.421 1.00 70.40 C ATOM 1156 NZ LYS A 76 15.923 23.243 -8.014 1.00 61.34 N ATOM 0 H LYS A 76 18.184 25.567 -2.414 1.00 23.43 H new ATOM 0 HA LYS A 76 18.990 27.827 -3.892 1.00 44.21 H new ATOM 0 HB2 LYS A 76 18.636 26.455 -5.671 1.00 64.41 H new ATOM 0 HB3 LYS A 76 18.526 25.216 -4.437 1.00 64.41 H new ATOM 0 HG2 LYS A 76 15.967 25.831 -4.412 1.00 13.13 H new ATOM 0 HG3 LYS A 76 16.303 26.553 -5.973 1.00 13.13 H new ATOM 0 HD2 LYS A 76 17.485 23.872 -5.705 1.00 63.14 H new ATOM 0 HD3 LYS A 76 15.747 23.858 -5.481 1.00 63.14 H new ATOM 0 HE2 LYS A 76 15.642 25.309 -7.638 1.00 70.40 H new ATOM 0 HE3 LYS A 76 17.311 24.838 -7.888 1.00 70.40 H new ATOM 0 HZ1 LYS A 76 16.285 23.162 -8.986 1.00 61.34 H new ATOM 0 HZ2 LYS A 76 16.284 22.453 -7.443 1.00 61.34 H new ATOM 0 HZ3 LYS A 76 14.884 23.213 -8.028 1.00 61.34 H new ATOM 1170 N TYR A 77 15.807 27.645 -3.124 1.00 43.24 N ATOM 1171 CA TYR A 77 14.555 28.391 -3.112 1.00 13.53 C ATOM 1172 C TYR A 77 14.462 29.280 -1.875 1.00 45.10 C ATOM 1173 O TYR A 77 13.551 30.097 -1.751 1.00 2.12 O ATOM 1174 CB TYR A 77 13.364 27.432 -3.154 1.00 25.32 C ATOM 1175 CG TYR A 77 13.326 26.569 -4.395 1.00 21.33 C ATOM 1176 CD1 TYR A 77 13.742 27.066 -5.624 1.00 30.53 C ATOM 1177 CD2 TYR A 77 12.875 25.256 -4.338 1.00 34.22 C ATOM 1178 CE1 TYR A 77 13.708 26.281 -6.760 1.00 73.20 C ATOM 1179 CE2 TYR A 77 12.838 24.463 -5.469 1.00 3.23 C ATOM 1180 CZ TYR A 77 13.255 24.980 -6.677 1.00 44.35 C ATOM 1181 OH TYR A 77 13.221 24.195 -7.807 1.00 21.11 O ATOM 0 H TYR A 77 15.789 26.781 -2.582 1.00 43.24 H new ATOM 0 HA TYR A 77 14.533 29.027 -3.997 1.00 13.53 H new ATOM 0 HB2 TYR A 77 13.395 26.788 -2.275 1.00 25.32 H new ATOM 0 HB3 TYR A 77 12.441 28.009 -3.094 1.00 25.32 H new ATOM 0 HD1 TYR A 77 14.098 28.083 -5.692 1.00 30.53 H new ATOM 0 HD2 TYR A 77 12.548 24.848 -3.393 1.00 34.22 H new ATOM 0 HE1 TYR A 77 14.034 26.683 -7.708 1.00 73.20 H new ATOM 0 HE2 TYR A 77 12.485 23.444 -5.407 1.00 3.23 H new ATOM 0 HH TYR A 77 13.549 24.710 -8.573 1.00 21.11 H new ATOM 1191 N ASN A 78 15.414 29.114 -0.962 1.00 64.45 N ATOM 1192 CA ASN A 78 15.442 29.900 0.265 1.00 31.15 C ATOM 1193 C ASN A 78 14.245 29.568 1.151 1.00 20.52 C ATOM 1194 O ASN A 78 13.317 30.366 1.285 1.00 23.32 O ATOM 1195 CB ASN A 78 15.449 31.395 -0.062 1.00 22.45 C ATOM 1196 CG ASN A 78 15.460 32.259 1.185 1.00 72.15 C ATOM 1197 OD1 ASN A 78 15.712 31.640 2.332 1.00 42.02 O flip ATOM 1198 ND2 ASN A 78 15.244 33.469 1.116 1.00 73.41 N flip ATOM 0 H ASN A 78 16.176 28.442 -1.049 1.00 64.45 H new ATOM 0 HA ASN A 78 16.354 29.649 0.807 1.00 31.15 H new ATOM 0 HB2 ASN A 78 16.324 31.627 -0.670 1.00 22.45 H new ATOM 0 HB3 ASN A 78 14.571 31.637 -0.661 1.00 22.45 H new ATOM 0 HD21 ASN A 78 15.055 33.903 0.212 1.00 73.41 H new ATOM 0 HD22 ASN A 78 15.254 34.038 1.962 1.00 73.41 H new ATOM 1205 N VAL A 79 14.273 28.384 1.755 1.00 62.40 N ATOM 1206 CA VAL A 79 13.192 27.946 2.630 1.00 70.54 C ATOM 1207 C VAL A 79 13.442 28.377 4.070 1.00 15.23 C ATOM 1208 O VAL A 79 13.152 29.512 4.447 1.00 0.21 O ATOM 1209 CB VAL A 79 13.020 26.416 2.586 1.00 32.41 C ATOM 1210 CG1 VAL A 79 11.972 25.967 3.593 1.00 11.24 C ATOM 1211 CG2 VAL A 79 12.651 25.961 1.182 1.00 14.11 C ATOM 0 H VAL A 79 15.033 27.711 1.654 1.00 62.40 H new ATOM 0 HA VAL A 79 12.279 28.418 2.266 1.00 70.54 H new ATOM 0 HB VAL A 79 13.970 25.954 2.855 1.00 32.41 H new ATOM 0 HG11 VAL A 79 11.864 24.883 3.547 1.00 11.24 H new ATOM 0 HG12 VAL A 79 12.283 26.259 4.596 1.00 11.24 H new ATOM 0 HG13 VAL A 79 11.017 26.437 3.358 1.00 11.24 H new ATOM 0 HG21 VAL A 79 12.534 24.877 1.170 1.00 14.11 H new ATOM 0 HG22 VAL A 79 11.715 26.431 0.882 1.00 14.11 H new ATOM 0 HG23 VAL A 79 13.440 26.248 0.487 1.00 14.11 H new ATOM 1221 N GLU A 80 13.981 27.463 4.871 1.00 2.51 N ATOM 1222 CA GLU A 80 14.269 27.750 6.271 1.00 4.54 C ATOM 1223 C GLU A 80 14.313 26.465 7.092 1.00 24.14 C ATOM 1224 O GLU A 80 15.365 26.075 7.598 1.00 21.32 O ATOM 1225 CB GLU A 80 13.217 28.701 6.847 1.00 24.33 C ATOM 1226 CG GLU A 80 13.657 30.155 6.869 1.00 62.15 C ATOM 1227 CD GLU A 80 14.036 30.630 8.258 1.00 73.30 C ATOM 1228 OE1 GLU A 80 15.150 30.301 8.715 1.00 62.21 O ATOM 1229 OE2 GLU A 80 13.217 31.331 8.888 1.00 35.12 O ATOM 0 H GLU A 80 14.227 26.519 4.574 1.00 2.51 H new ATOM 0 HA GLU A 80 15.247 28.228 6.323 1.00 4.54 H new ATOM 0 HB2 GLU A 80 12.302 28.616 6.260 1.00 24.33 H new ATOM 0 HB3 GLU A 80 12.974 28.388 7.863 1.00 24.33 H new ATOM 0 HG2 GLU A 80 14.509 30.283 6.201 1.00 62.15 H new ATOM 0 HG3 GLU A 80 12.852 30.780 6.483 1.00 62.15 H new ATOM 1236 N ALA A 81 13.163 25.812 7.220 1.00 30.04 N ATOM 1237 CA ALA A 81 13.070 24.570 7.978 1.00 15.32 C ATOM 1238 C ALA A 81 11.618 24.229 8.296 1.00 13.11 C ATOM 1239 O ALA A 81 11.301 23.792 9.402 1.00 61.30 O ATOM 1240 CB ALA A 81 13.883 24.672 9.260 1.00 32.11 C ATOM 0 H ALA A 81 12.283 26.122 6.809 1.00 30.04 H new ATOM 0 HA ALA A 81 13.479 23.767 7.365 1.00 15.32 H new ATOM 0 HB1 ALA A 81 13.804 23.738 9.816 1.00 32.11 H new ATOM 0 HB2 ALA A 81 14.928 24.861 9.014 1.00 32.11 H new ATOM 0 HB3 ALA A 81 13.500 25.490 9.870 1.00 32.11 H new ATOM 1246 N MET A 82 10.739 24.433 7.320 1.00 64.22 N ATOM 1247 CA MET A 82 9.321 24.146 7.497 1.00 75.24 C ATOM 1248 C MET A 82 8.744 23.471 6.256 1.00 14.22 C ATOM 1249 O MET A 82 9.386 23.390 5.209 1.00 52.22 O ATOM 1250 CB MET A 82 8.551 25.434 7.795 1.00 21.14 C ATOM 1251 CG MET A 82 9.445 26.598 8.191 1.00 21.12 C ATOM 1252 SD MET A 82 9.400 27.946 6.995 1.00 42.21 S ATOM 1253 CE MET A 82 9.833 27.078 5.489 1.00 22.24 C ATOM 0 H MET A 82 10.984 24.796 6.399 1.00 64.22 H new ATOM 0 HA MET A 82 9.217 23.465 8.342 1.00 75.24 H new ATOM 0 HB2 MET A 82 7.972 25.714 6.915 1.00 21.14 H new ATOM 0 HB3 MET A 82 7.838 25.244 8.598 1.00 21.14 H new ATOM 0 HG2 MET A 82 9.136 26.973 9.167 1.00 21.12 H new ATOM 0 HG3 MET A 82 10.471 26.244 8.296 1.00 21.12 H new ATOM 0 HE1 MET A 82 9.951 27.795 4.677 1.00 22.24 H new ATOM 0 HE2 MET A 82 10.769 26.539 5.636 1.00 22.24 H new ATOM 0 HE3 MET A 82 9.043 26.371 5.236 1.00 22.24 H new ATOM 1263 N PRO A 83 7.503 22.975 6.374 1.00 22.52 N ATOM 1264 CA PRO A 83 6.813 22.298 5.272 1.00 50.42 C ATOM 1265 C PRO A 83 6.427 23.260 4.153 1.00 61.20 C ATOM 1266 O PRO A 83 5.526 22.979 3.362 1.00 53.50 O ATOM 1267 CB PRO A 83 5.561 21.722 5.938 1.00 53.45 C ATOM 1268 CG PRO A 83 5.320 22.601 7.117 1.00 64.34 C ATOM 1269 CD PRO A 83 6.679 23.035 7.593 1.00 51.31 C ATOM 0 HA PRO A 83 7.443 21.546 4.796 1.00 50.42 H new ATOM 0 HB2 PRO A 83 4.710 21.732 5.257 1.00 53.45 H new ATOM 0 HB3 PRO A 83 5.715 20.686 6.241 1.00 53.45 H new ATOM 0 HG2 PRO A 83 4.709 23.461 6.844 1.00 64.34 H new ATOM 0 HG3 PRO A 83 4.785 22.065 7.901 1.00 64.34 H new ATOM 0 HD2 PRO A 83 6.655 24.041 8.013 1.00 51.31 H new ATOM 0 HD3 PRO A 83 7.063 22.374 8.370 1.00 51.31 H new ATOM 1277 N THR A 84 7.115 24.396 4.091 1.00 23.31 N ATOM 1278 CA THR A 84 6.844 25.399 3.069 1.00 20.04 C ATOM 1279 C THR A 84 6.500 24.746 1.736 1.00 53.34 C ATOM 1280 O THR A 84 7.286 23.970 1.192 1.00 55.35 O ATOM 1281 CB THR A 84 8.048 26.340 2.872 1.00 32.42 C ATOM 1282 OG1 THR A 84 7.911 27.493 3.710 1.00 21.42 O ATOM 1283 CG2 THR A 84 8.163 26.773 1.419 1.00 40.53 C ATOM 0 H THR A 84 7.864 24.644 4.737 1.00 23.31 H new ATOM 0 HA THR A 84 5.990 25.981 3.416 1.00 20.04 H new ATOM 0 HB THR A 84 8.953 25.799 3.146 1.00 32.42 H new ATOM 0 HG1 THR A 84 8.348 28.260 3.285 1.00 21.42 H new ATOM 0 HG21 THR A 84 9.020 27.437 1.304 1.00 40.53 H new ATOM 0 HG22 THR A 84 8.297 25.895 0.787 1.00 40.53 H new ATOM 0 HG23 THR A 84 7.255 27.298 1.123 1.00 40.53 H new ATOM 1291 N PHE A 85 5.321 25.066 1.213 1.00 75.03 N ATOM 1292 CA PHE A 85 4.872 24.510 -0.059 1.00 31.14 C ATOM 1293 C PHE A 85 5.469 25.283 -1.231 1.00 74.01 C ATOM 1294 O PHE A 85 4.795 25.533 -2.232 1.00 2.23 O ATOM 1295 CB PHE A 85 3.344 24.536 -0.140 1.00 43.33 C ATOM 1296 CG PHE A 85 2.715 23.177 -0.029 1.00 55.21 C ATOM 1297 CD1 PHE A 85 2.868 22.243 -1.041 1.00 3.11 C ATOM 1298 CD2 PHE A 85 1.969 22.834 1.087 1.00 22.42 C ATOM 1299 CE1 PHE A 85 2.289 20.992 -0.941 1.00 42.14 C ATOM 1300 CE2 PHE A 85 1.388 21.584 1.192 1.00 20.15 C ATOM 1301 CZ PHE A 85 1.549 20.662 0.177 1.00 22.32 C ATOM 0 H PHE A 85 4.659 25.707 1.650 1.00 75.03 H new ATOM 0 HA PHE A 85 5.214 23.477 -0.117 1.00 31.14 H new ATOM 0 HB2 PHE A 85 2.957 25.173 0.655 1.00 43.33 H new ATOM 0 HB3 PHE A 85 3.046 24.990 -1.085 1.00 43.33 H new ATOM 0 HD1 PHE A 85 3.446 22.495 -1.918 1.00 3.11 H new ATOM 0 HD2 PHE A 85 1.840 23.551 1.884 1.00 22.42 H new ATOM 0 HE1 PHE A 85 2.415 20.273 -1.737 1.00 42.14 H new ATOM 0 HE2 PHE A 85 0.809 21.329 2.067 1.00 20.15 H new ATOM 0 HZ PHE A 85 1.097 19.684 0.257 1.00 22.32 H new ATOM 1311 N LEU A 86 6.736 25.659 -1.100 1.00 52.21 N ATOM 1312 CA LEU A 86 7.425 26.405 -2.148 1.00 31.42 C ATOM 1313 C LEU A 86 6.882 26.037 -3.525 1.00 31.41 C ATOM 1314 O LEU A 86 6.565 24.877 -3.789 1.00 35.30 O ATOM 1315 CB LEU A 86 8.929 26.132 -2.090 1.00 71.43 C ATOM 1316 CG LEU A 86 9.839 27.324 -2.388 1.00 23.41 C ATOM 1317 CD1 LEU A 86 9.213 28.224 -3.441 1.00 73.13 C ATOM 1318 CD2 LEU A 86 10.125 28.107 -1.115 1.00 52.42 C ATOM 0 H LEU A 86 7.307 25.460 -0.279 1.00 52.21 H new ATOM 0 HA LEU A 86 7.248 27.467 -1.981 1.00 31.42 H new ATOM 0 HB2 LEU A 86 9.172 25.755 -1.097 1.00 71.43 H new ATOM 0 HB3 LEU A 86 9.161 25.337 -2.798 1.00 71.43 H new ATOM 0 HG LEU A 86 10.784 26.947 -2.779 1.00 23.41 H new ATOM 0 HD11 LEU A 86 9.875 29.067 -3.640 1.00 73.13 H new ATOM 0 HD12 LEU A 86 9.061 27.658 -4.360 1.00 73.13 H new ATOM 0 HD13 LEU A 86 8.254 28.594 -3.080 1.00 73.13 H new ATOM 0 HD21 LEU A 86 10.774 28.952 -1.346 1.00 52.42 H new ATOM 0 HD22 LEU A 86 9.188 28.473 -0.695 1.00 52.42 H new ATOM 0 HD23 LEU A 86 10.618 27.458 -0.391 1.00 52.42 H new ATOM 1330 N PHE A 87 6.780 27.031 -4.400 1.00 53.31 N ATOM 1331 CA PHE A 87 6.276 26.812 -5.751 1.00 45.21 C ATOM 1332 C PHE A 87 7.318 27.215 -6.791 1.00 73.03 C ATOM 1333 O PHE A 87 8.119 28.122 -6.564 1.00 23.43 O ATOM 1334 CB PHE A 87 4.986 27.604 -5.972 1.00 72.20 C ATOM 1335 CG PHE A 87 3.820 27.081 -5.183 1.00 13.45 C ATOM 1336 CD1 PHE A 87 3.789 27.207 -3.803 1.00 34.51 C ATOM 1337 CD2 PHE A 87 2.755 26.466 -5.820 1.00 35.12 C ATOM 1338 CE1 PHE A 87 2.717 26.726 -3.074 1.00 61.01 C ATOM 1339 CE2 PHE A 87 1.680 25.984 -5.096 1.00 60.23 C ATOM 1340 CZ PHE A 87 1.661 26.115 -3.722 1.00 10.04 C ATOM 0 H PHE A 87 7.040 27.997 -4.198 1.00 53.31 H new ATOM 0 HA PHE A 87 6.065 25.749 -5.866 1.00 45.21 H new ATOM 0 HB2 PHE A 87 5.158 28.646 -5.703 1.00 72.20 H new ATOM 0 HB3 PHE A 87 4.735 27.586 -7.032 1.00 72.20 H new ATOM 0 HD1 PHE A 87 4.611 27.686 -3.292 1.00 34.51 H new ATOM 0 HD2 PHE A 87 2.764 26.362 -6.895 1.00 35.12 H new ATOM 0 HE1 PHE A 87 2.705 26.828 -1.999 1.00 61.01 H new ATOM 0 HE2 PHE A 87 0.856 25.506 -5.605 1.00 60.23 H new ATOM 0 HZ PHE A 87 0.822 25.740 -3.155 1.00 10.04 H new ATOM 1350 N ILE A 88 7.299 26.534 -7.932 1.00 43.33 N ATOM 1351 CA ILE A 88 8.241 26.821 -9.007 1.00 72.15 C ATOM 1352 C ILE A 88 7.530 26.898 -10.354 1.00 41.34 C ATOM 1353 O ILE A 88 7.622 25.982 -11.171 1.00 70.33 O ATOM 1354 CB ILE A 88 9.349 25.754 -9.085 1.00 12.01 C ATOM 1355 CG1 ILE A 88 9.858 25.414 -7.683 1.00 21.42 C ATOM 1356 CG2 ILE A 88 10.490 26.239 -9.966 1.00 5.12 C ATOM 1357 CD1 ILE A 88 10.707 26.504 -7.067 1.00 63.52 C ATOM 0 H ILE A 88 6.642 25.780 -8.136 1.00 43.33 H new ATOM 0 HA ILE A 88 8.693 27.787 -8.781 1.00 72.15 H new ATOM 0 HB ILE A 88 8.933 24.850 -9.529 1.00 12.01 H new ATOM 0 HG12 ILE A 88 9.005 25.218 -7.033 1.00 21.42 H new ATOM 0 HG13 ILE A 88 10.441 24.494 -7.730 1.00 21.42 H new ATOM 0 HG21 ILE A 88 11.265 25.474 -10.011 1.00 5.12 H new ATOM 0 HG22 ILE A 88 10.116 26.436 -10.971 1.00 5.12 H new ATOM 0 HG23 ILE A 88 10.908 27.155 -9.548 1.00 5.12 H new ATOM 0 HD11 ILE A 88 11.033 26.194 -6.074 1.00 63.52 H new ATOM 0 HD12 ILE A 88 11.579 26.684 -7.695 1.00 63.52 H new ATOM 0 HD13 ILE A 88 10.122 27.420 -6.987 1.00 63.52 H new ATOM 1369 N LYS A 89 6.822 28.000 -10.581 1.00 61.51 N ATOM 1370 CA LYS A 89 6.097 28.200 -11.830 1.00 43.13 C ATOM 1371 C LYS A 89 7.051 28.585 -12.957 1.00 31.11 C ATOM 1372 O LYS A 89 7.778 29.573 -12.857 1.00 2.11 O ATOM 1373 CB LYS A 89 5.032 29.285 -11.657 1.00 74.31 C ATOM 1374 CG LYS A 89 4.603 29.931 -12.963 1.00 63.33 C ATOM 1375 CD LYS A 89 3.090 30.023 -13.070 1.00 3.53 C ATOM 1376 CE LYS A 89 2.496 30.799 -11.904 1.00 21.22 C ATOM 1377 NZ LYS A 89 1.640 31.926 -12.366 1.00 42.32 N ATOM 0 H LYS A 89 6.735 28.768 -9.916 1.00 61.51 H new ATOM 0 HA LYS A 89 5.611 27.261 -12.093 1.00 43.13 H new ATOM 0 HB2 LYS A 89 4.158 28.850 -11.172 1.00 74.31 H new ATOM 0 HB3 LYS A 89 5.416 30.056 -10.989 1.00 74.31 H new ATOM 0 HG2 LYS A 89 5.035 30.929 -13.035 1.00 63.33 H new ATOM 0 HG3 LYS A 89 4.993 29.353 -13.801 1.00 63.33 H new ATOM 0 HD2 LYS A 89 2.819 30.509 -14.008 1.00 3.53 H new ATOM 0 HD3 LYS A 89 2.664 29.020 -13.096 1.00 3.53 H new ATOM 0 HE2 LYS A 89 1.905 30.125 -11.283 1.00 21.22 H new ATOM 0 HE3 LYS A 89 3.300 31.187 -11.279 1.00 21.22 H new ATOM 0 HZ1 LYS A 89 1.254 32.430 -11.542 1.00 42.32 H new ATOM 0 HZ2 LYS A 89 2.209 32.582 -12.938 1.00 42.32 H new ATOM 0 HZ3 LYS A 89 0.858 31.554 -12.942 1.00 42.32 H new ATOM 1391 N ASP A 90 7.041 27.799 -14.028 1.00 42.31 N ATOM 1392 CA ASP A 90 7.904 28.060 -15.175 1.00 34.51 C ATOM 1393 C ASP A 90 9.309 27.519 -14.931 1.00 43.53 C ATOM 1394 O ASP A 90 10.128 27.455 -15.847 1.00 71.15 O ATOM 1395 CB ASP A 90 7.963 29.560 -15.465 1.00 44.00 C ATOM 1396 CG ASP A 90 8.225 29.857 -16.929 1.00 31.24 C ATOM 1397 OD1 ASP A 90 7.668 29.142 -17.787 1.00 71.32 O ATOM 1398 OD2 ASP A 90 8.987 30.804 -17.215 1.00 64.43 O ATOM 0 H ASP A 90 6.446 26.977 -14.126 1.00 42.31 H new ATOM 0 HA ASP A 90 7.483 27.548 -16.040 1.00 34.51 H new ATOM 0 HB2 ASP A 90 7.022 30.022 -15.166 1.00 44.00 H new ATOM 0 HB3 ASP A 90 8.747 30.014 -14.859 1.00 44.00 H new ATOM 1403 N GLY A 91 9.583 27.133 -13.689 1.00 14.44 N ATOM 1404 CA GLY A 91 10.890 26.605 -13.347 1.00 4.34 C ATOM 1405 C GLY A 91 11.759 27.623 -12.634 1.00 54.42 C ATOM 1406 O GLY A 91 12.954 27.729 -12.908 1.00 13.45 O ATOM 0 H GLY A 91 8.922 27.177 -12.913 1.00 14.44 H new ATOM 0 HA2 GLY A 91 10.769 25.727 -12.712 1.00 4.34 H new ATOM 0 HA3 GLY A 91 11.394 26.275 -14.255 1.00 4.34 H new ATOM 1410 N ALA A 92 11.156 28.376 -11.719 1.00 61.41 N ATOM 1411 CA ALA A 92 11.882 29.390 -10.965 1.00 43.04 C ATOM 1412 C ALA A 92 11.356 29.495 -9.538 1.00 51.31 C ATOM 1413 O ALA A 92 11.890 28.869 -8.623 1.00 14.51 O ATOM 1414 CB ALA A 92 11.787 30.737 -11.666 1.00 53.30 C ATOM 0 H ALA A 92 10.167 28.302 -11.482 1.00 61.41 H new ATOM 0 HA ALA A 92 12.929 29.091 -10.916 1.00 43.04 H new ATOM 0 HB1 ALA A 92 12.334 31.485 -11.092 1.00 53.30 H new ATOM 0 HB2 ALA A 92 12.218 30.659 -12.664 1.00 53.30 H new ATOM 0 HB3 ALA A 92 10.741 31.033 -11.745 1.00 53.30 H new ATOM 1420 N GLU A 93 10.307 30.291 -9.356 1.00 52.33 N ATOM 1421 CA GLU A 93 9.710 30.479 -8.039 1.00 62.21 C ATOM 1422 C GLU A 93 8.493 31.395 -8.119 1.00 13.34 C ATOM 1423 O GLU A 93 8.623 32.601 -8.326 1.00 0.34 O ATOM 1424 CB GLU A 93 10.738 31.062 -7.067 1.00 64.33 C ATOM 1425 CG GLU A 93 10.453 30.735 -5.611 1.00 50.31 C ATOM 1426 CD GLU A 93 11.688 30.836 -4.738 1.00 24.04 C ATOM 1427 OE1 GLU A 93 12.764 31.182 -5.270 1.00 60.41 O ATOM 1428 OE2 GLU A 93 11.580 30.569 -3.523 1.00 1.13 O ATOM 0 H GLU A 93 9.853 30.816 -10.104 1.00 52.33 H new ATOM 0 HA GLU A 93 9.386 29.505 -7.673 1.00 62.21 H new ATOM 0 HB2 GLU A 93 11.727 30.685 -7.328 1.00 64.33 H new ATOM 0 HB3 GLU A 93 10.767 32.145 -7.188 1.00 64.33 H new ATOM 0 HG2 GLU A 93 9.689 31.414 -5.233 1.00 50.31 H new ATOM 0 HG3 GLU A 93 10.045 29.726 -5.542 1.00 50.31 H new ATOM 1435 N ALA A 94 7.309 30.813 -7.953 1.00 45.22 N ATOM 1436 CA ALA A 94 6.069 31.577 -8.005 1.00 32.53 C ATOM 1437 C ALA A 94 5.669 32.068 -6.618 1.00 13.12 C ATOM 1438 O ALA A 94 5.053 33.125 -6.477 1.00 4.10 O ATOM 1439 CB ALA A 94 4.956 30.734 -8.610 1.00 15.03 C ATOM 0 H ALA A 94 7.183 29.815 -7.781 1.00 45.22 H new ATOM 0 HA ALA A 94 6.234 32.450 -8.637 1.00 32.53 H new ATOM 0 HB1 ALA A 94 4.035 31.317 -8.643 1.00 15.03 H new ATOM 0 HB2 ALA A 94 5.234 30.436 -9.621 1.00 15.03 H new ATOM 0 HB3 ALA A 94 4.801 29.844 -8.000 1.00 15.03 H new ATOM 1445 N ASP A 95 6.021 31.295 -5.597 1.00 21.32 N ATOM 1446 CA ASP A 95 5.699 31.652 -4.220 1.00 71.01 C ATOM 1447 C ASP A 95 5.735 30.423 -3.317 1.00 43.01 C ATOM 1448 O ASP A 95 5.997 29.310 -3.774 1.00 44.45 O ATOM 1449 CB ASP A 95 4.320 32.310 -4.151 1.00 2.51 C ATOM 1450 CG ASP A 95 4.402 33.824 -4.117 1.00 25.10 C ATOM 1451 OD1 ASP A 95 5.194 34.357 -3.312 1.00 22.32 O ATOM 1452 OD2 ASP A 95 3.674 34.476 -4.895 1.00 24.30 O ATOM 0 H ASP A 95 6.530 30.417 -5.697 1.00 21.32 H new ATOM 0 HA ASP A 95 6.450 32.360 -3.869 1.00 71.01 H new ATOM 0 HB2 ASP A 95 3.729 32.000 -5.013 1.00 2.51 H new ATOM 0 HB3 ASP A 95 3.796 31.957 -3.262 1.00 2.51 H new ATOM 1457 N LYS A 96 5.471 30.632 -2.032 1.00 25.34 N ATOM 1458 CA LYS A 96 5.473 29.542 -1.063 1.00 24.01 C ATOM 1459 C LYS A 96 4.282 29.653 -0.117 1.00 20.21 C ATOM 1460 O LYS A 96 3.533 30.629 -0.157 1.00 44.30 O ATOM 1461 CB LYS A 96 6.777 29.547 -0.261 1.00 50.22 C ATOM 1462 CG LYS A 96 6.929 30.756 0.645 1.00 14.35 C ATOM 1463 CD LYS A 96 7.861 31.793 0.041 1.00 13.02 C ATOM 1464 CE LYS A 96 9.319 31.465 0.325 1.00 75.42 C ATOM 1465 NZ LYS A 96 10.061 32.644 0.849 1.00 11.15 N ATOM 0 H LYS A 96 5.253 31.547 -1.637 1.00 25.34 H new ATOM 0 HA LYS A 96 5.394 28.603 -1.610 1.00 24.01 H new ATOM 0 HB2 LYS A 96 6.825 28.642 0.344 1.00 50.22 H new ATOM 0 HB3 LYS A 96 7.619 29.513 -0.952 1.00 50.22 H new ATOM 0 HG2 LYS A 96 5.951 31.204 0.822 1.00 14.35 H new ATOM 0 HG3 LYS A 96 7.315 30.439 1.614 1.00 14.35 H new ATOM 0 HD2 LYS A 96 7.702 31.844 -1.036 1.00 13.02 H new ATOM 0 HD3 LYS A 96 7.623 32.777 0.445 1.00 13.02 H new ATOM 0 HE2 LYS A 96 9.374 30.651 1.048 1.00 75.42 H new ATOM 0 HE3 LYS A 96 9.797 31.112 -0.589 1.00 75.42 H new ATOM 0 HZ1 LYS A 96 11.050 32.379 1.030 1.00 11.15 H new ATOM 0 HZ2 LYS A 96 10.031 33.412 0.149 1.00 11.15 H new ATOM 0 HZ3 LYS A 96 9.621 32.965 1.735 1.00 11.15 H new ATOM 1479 N VAL A 97 4.113 28.646 0.735 1.00 53.32 N ATOM 1480 CA VAL A 97 3.014 28.632 1.693 1.00 52.31 C ATOM 1481 C VAL A 97 3.399 27.878 2.960 1.00 23.52 C ATOM 1482 O VAL A 97 4.082 28.415 3.833 1.00 53.04 O ATOM 1483 CB VAL A 97 1.751 27.989 1.089 1.00 22.14 C ATOM 1484 CG1 VAL A 97 0.707 27.748 2.169 1.00 73.34 C ATOM 1485 CG2 VAL A 97 1.189 28.861 -0.023 1.00 10.22 C ATOM 0 H VAL A 97 4.723 27.830 0.781 1.00 53.32 H new ATOM 0 HA VAL A 97 2.799 29.671 1.944 1.00 52.31 H new ATOM 0 HB VAL A 97 2.024 27.025 0.660 1.00 22.14 H new ATOM 0 HG11 VAL A 97 -0.178 27.293 1.724 1.00 73.34 H new ATOM 0 HG12 VAL A 97 1.116 27.080 2.928 1.00 73.34 H new ATOM 0 HG13 VAL A 97 0.435 28.697 2.630 1.00 73.34 H new ATOM 0 HG21 VAL A 97 0.297 28.391 -0.438 1.00 10.22 H new ATOM 0 HG22 VAL A 97 0.930 29.841 0.379 1.00 10.22 H new ATOM 0 HG23 VAL A 97 1.937 28.977 -0.808 1.00 10.22 H new ATOM 1495 N VAL A 98 2.958 26.627 3.055 1.00 11.33 N ATOM 1496 CA VAL A 98 3.258 25.797 4.215 1.00 31.25 C ATOM 1497 C VAL A 98 2.373 24.556 4.246 1.00 21.44 C ATOM 1498 O VAL A 98 1.163 24.638 4.041 1.00 31.13 O ATOM 1499 CB VAL A 98 3.072 26.579 5.529 1.00 12.30 C ATOM 1500 CG1 VAL A 98 2.478 25.683 6.605 1.00 3.02 C ATOM 1501 CG2 VAL A 98 4.396 27.172 5.988 1.00 54.04 C ATOM 0 H VAL A 98 2.392 26.167 2.342 1.00 11.33 H new ATOM 0 HA VAL A 98 4.301 25.494 4.126 1.00 31.25 H new ATOM 0 HB VAL A 98 2.376 27.398 5.348 1.00 12.30 H new ATOM 0 HG11 VAL A 98 2.354 26.253 7.526 1.00 3.02 H new ATOM 0 HG12 VAL A 98 1.508 25.312 6.275 1.00 3.02 H new ATOM 0 HG13 VAL A 98 3.146 24.841 6.787 1.00 3.02 H new ATOM 0 HG21 VAL A 98 4.246 27.721 6.918 1.00 54.04 H new ATOM 0 HG22 VAL A 98 5.116 26.370 6.152 1.00 54.04 H new ATOM 0 HG23 VAL A 98 4.776 27.850 5.223 1.00 54.04 H new ATOM 1511 N GLY A 99 2.986 23.404 4.505 1.00 3.50 N ATOM 1512 CA GLY A 99 2.239 22.162 4.559 1.00 60.44 C ATOM 1513 C GLY A 99 1.434 22.024 5.835 1.00 34.03 C ATOM 1514 O GLY A 99 1.435 20.968 6.467 1.00 31.01 O ATOM 0 H GLY A 99 3.987 23.310 4.678 1.00 3.50 H new ATOM 0 HA2 GLY A 99 1.568 22.108 3.702 1.00 60.44 H new ATOM 0 HA3 GLY A 99 2.929 21.323 4.476 1.00 60.44 H new ATOM 1518 N ALA A 100 0.745 23.095 6.217 1.00 71.41 N ATOM 1519 CA ALA A 100 -0.069 23.088 7.426 1.00 4.54 C ATOM 1520 C ALA A 100 -1.293 23.984 7.269 1.00 2.12 C ATOM 1521 O ALA A 100 -2.099 24.116 8.190 1.00 11.50 O ATOM 1522 CB ALA A 100 0.761 23.531 8.623 1.00 60.43 C ATOM 0 H ALA A 100 0.735 23.978 5.706 1.00 71.41 H new ATOM 0 HA ALA A 100 -0.416 22.069 7.595 1.00 4.54 H new ATOM 0 HB1 ALA A 100 0.141 23.521 9.519 1.00 60.43 H new ATOM 0 HB2 ALA A 100 1.601 22.849 8.756 1.00 60.43 H new ATOM 0 HB3 ALA A 100 1.136 24.540 8.452 1.00 60.43 H new ATOM 1528 N ARG A 101 -1.425 24.597 6.098 1.00 41.44 N ATOM 1529 CA ARG A 101 -2.550 25.482 5.821 1.00 11.31 C ATOM 1530 C ARG A 101 -3.598 24.778 4.965 1.00 74.51 C ATOM 1531 O ARG A 101 -3.415 24.599 3.761 1.00 42.44 O ATOM 1532 CB ARG A 101 -2.068 26.750 5.114 1.00 4.34 C ATOM 1533 CG ARG A 101 -0.587 27.033 5.314 1.00 75.24 C ATOM 1534 CD ARG A 101 -0.321 27.683 6.662 1.00 11.22 C ATOM 1535 NE ARG A 101 -0.352 26.713 7.753 1.00 14.14 N ATOM 1536 CZ ARG A 101 -0.714 27.016 8.995 1.00 24.44 C ATOM 1537 NH1 ARG A 101 -1.073 28.255 9.302 1.00 64.42 N ATOM 1538 NH2 ARG A 101 -0.717 26.077 9.934 1.00 44.51 N ATOM 0 H ARG A 101 -0.767 24.497 5.325 1.00 41.44 H new ATOM 0 HA ARG A 101 -3.006 25.756 6.772 1.00 11.31 H new ATOM 0 HB2 ARG A 101 -2.271 26.661 4.047 1.00 4.34 H new ATOM 0 HB3 ARG A 101 -2.644 27.600 5.478 1.00 4.34 H new ATOM 0 HG2 ARG A 101 -0.025 26.102 5.240 1.00 75.24 H new ATOM 0 HG3 ARG A 101 -0.229 27.685 4.517 1.00 75.24 H new ATOM 0 HD2 ARG A 101 0.652 28.175 6.642 1.00 11.22 H new ATOM 0 HD3 ARG A 101 -1.066 28.457 6.844 1.00 11.22 H new ATOM 0 HE ARG A 101 -0.081 25.751 7.551 1.00 14.14 H new ATOM 0 HH11 ARG A 101 -1.072 28.979 8.584 1.00 64.42 H new ATOM 0 HH12 ARG A 101 -1.350 28.484 10.257 1.00 64.42 H new ATOM 0 HH21 ARG A 101 -0.441 25.123 9.702 1.00 44.51 H new ATOM 0 HH22 ARG A 101 -0.995 26.310 10.887 1.00 44.51 H new ATOM 1552 N LYS A 102 -4.698 24.378 5.595 1.00 61.02 N ATOM 1553 CA LYS A 102 -5.777 23.693 4.892 1.00 3.34 C ATOM 1554 C LYS A 102 -6.686 24.693 4.185 1.00 64.05 C ATOM 1555 O LYS A 102 -7.679 24.312 3.565 1.00 41.43 O ATOM 1556 CB LYS A 102 -6.595 22.848 5.871 1.00 1.34 C ATOM 1557 CG LYS A 102 -7.253 21.640 5.229 1.00 73.22 C ATOM 1558 CD LYS A 102 -8.567 22.010 4.561 1.00 62.14 C ATOM 1559 CE LYS A 102 -9.603 20.908 4.720 1.00 13.12 C ATOM 1560 NZ LYS A 102 -10.415 21.085 5.956 1.00 51.10 N ATOM 0 H LYS A 102 -4.866 24.517 6.592 1.00 61.02 H new ATOM 0 HA LYS A 102 -5.331 23.040 4.142 1.00 3.34 H new ATOM 0 HB2 LYS A 102 -5.945 22.511 6.678 1.00 1.34 H new ATOM 0 HB3 LYS A 102 -7.365 23.474 6.322 1.00 1.34 H new ATOM 0 HG2 LYS A 102 -6.578 21.206 4.491 1.00 73.22 H new ATOM 0 HG3 LYS A 102 -7.431 20.876 5.986 1.00 73.22 H new ATOM 0 HD2 LYS A 102 -8.949 22.935 4.994 1.00 62.14 H new ATOM 0 HD3 LYS A 102 -8.397 22.201 3.501 1.00 62.14 H new ATOM 0 HE2 LYS A 102 -10.261 20.900 3.851 1.00 13.12 H new ATOM 0 HE3 LYS A 102 -9.102 19.940 4.750 1.00 13.12 H new ATOM 0 HZ1 LYS A 102 -11.110 20.314 6.028 1.00 51.10 H new ATOM 0 HZ2 LYS A 102 -9.790 21.067 6.787 1.00 51.10 H new ATOM 0 HZ3 LYS A 102 -10.913 21.997 5.917 1.00 51.10 H new ATOM 1574 N ASP A 103 -6.338 25.972 4.280 1.00 75.32 N ATOM 1575 CA ASP A 103 -7.122 27.026 3.646 1.00 21.12 C ATOM 1576 C ASP A 103 -6.229 27.943 2.817 1.00 64.25 C ATOM 1577 O ASP A 103 -6.716 28.781 2.058 1.00 14.13 O ATOM 1578 CB ASP A 103 -7.869 27.841 4.703 1.00 21.11 C ATOM 1579 CG ASP A 103 -6.939 28.419 5.752 1.00 54.42 C ATOM 1580 OD1 ASP A 103 -6.319 29.469 5.481 1.00 65.22 O ATOM 1581 OD2 ASP A 103 -6.833 27.823 6.844 1.00 54.42 O ATOM 0 H ASP A 103 -5.519 26.304 4.789 1.00 75.32 H new ATOM 0 HA ASP A 103 -7.847 26.556 2.981 1.00 21.12 H new ATOM 0 HB2 ASP A 103 -8.412 28.651 4.216 1.00 21.11 H new ATOM 0 HB3 ASP A 103 -8.611 27.207 5.189 1.00 21.11 H new ATOM 1586 N ASP A 104 -4.919 27.778 2.967 1.00 40.34 N ATOM 1587 CA ASP A 104 -3.957 28.591 2.231 1.00 10.14 C ATOM 1588 C ASP A 104 -3.333 27.795 1.090 1.00 63.51 C ATOM 1589 O ASP A 104 -2.872 28.365 0.100 1.00 71.31 O ATOM 1590 CB ASP A 104 -2.864 29.101 3.172 1.00 62.14 C ATOM 1591 CG ASP A 104 -2.438 30.520 2.849 1.00 32.12 C ATOM 1592 OD1 ASP A 104 -2.191 30.810 1.660 1.00 71.24 O ATOM 1593 OD2 ASP A 104 -2.353 31.341 3.786 1.00 32.32 O ATOM 0 H ASP A 104 -4.499 27.089 3.591 1.00 40.34 H new ATOM 0 HA ASP A 104 -4.488 29.443 1.807 1.00 10.14 H new ATOM 0 HB2 ASP A 104 -3.224 29.058 4.200 1.00 62.14 H new ATOM 0 HB3 ASP A 104 -1.998 28.442 3.110 1.00 62.14 H new ATOM 1598 N LEU A 105 -3.320 26.474 1.235 1.00 45.12 N ATOM 1599 CA LEU A 105 -2.751 25.598 0.216 1.00 4.33 C ATOM 1600 C LEU A 105 -3.627 25.573 -1.032 1.00 10.42 C ATOM 1601 O LEU A 105 -3.285 26.169 -2.053 1.00 14.31 O ATOM 1602 CB LEU A 105 -2.588 24.181 0.768 1.00 60.34 C ATOM 1603 CG LEU A 105 -2.219 23.102 -0.252 1.00 15.21 C ATOM 1604 CD1 LEU A 105 -0.800 23.309 -0.758 1.00 74.11 C ATOM 1605 CD2 LEU A 105 -2.374 21.717 0.358 1.00 24.32 C ATOM 0 H LEU A 105 -3.697 25.986 2.048 1.00 45.12 H new ATOM 0 HA LEU A 105 -1.771 25.989 -0.059 1.00 4.33 H new ATOM 0 HB2 LEU A 105 -1.820 24.200 1.541 1.00 60.34 H new ATOM 0 HB3 LEU A 105 -3.521 23.892 1.252 1.00 60.34 H new ATOM 0 HG LEU A 105 -2.900 23.182 -1.100 1.00 15.21 H new ATOM 0 HD11 LEU A 105 -0.555 22.532 -1.482 1.00 74.11 H new ATOM 0 HD12 LEU A 105 -0.722 24.287 -1.234 1.00 74.11 H new ATOM 0 HD13 LEU A 105 -0.104 23.257 0.079 1.00 74.11 H new ATOM 0 HD21 LEU A 105 -2.107 20.962 -0.381 1.00 24.32 H new ATOM 0 HD22 LEU A 105 -1.718 21.625 1.223 1.00 24.32 H new ATOM 0 HD23 LEU A 105 -3.408 21.570 0.670 1.00 24.32 H new ATOM 1617 N GLN A 106 -4.758 24.882 -0.940 1.00 74.15 N ATOM 1618 CA GLN A 106 -5.684 24.781 -2.062 1.00 53.34 C ATOM 1619 C GLN A 106 -5.945 26.152 -2.678 1.00 11.24 C ATOM 1620 O GLN A 106 -6.384 26.256 -3.822 1.00 45.22 O ATOM 1621 CB GLN A 106 -7.003 24.154 -1.608 1.00 32.13 C ATOM 1622 CG GLN A 106 -7.725 24.961 -0.541 1.00 22.25 C ATOM 1623 CD GLN A 106 -6.802 25.409 0.576 1.00 33.50 C ATOM 1624 OE1 GLN A 106 -6.485 26.592 0.698 1.00 41.02 O ATOM 1625 NE2 GLN A 106 -6.366 24.462 1.399 1.00 12.22 N ATOM 0 H GLN A 106 -5.055 24.384 -0.101 1.00 74.15 H new ATOM 0 HA GLN A 106 -5.228 24.143 -2.819 1.00 53.34 H new ATOM 0 HB2 GLN A 106 -7.658 24.041 -2.472 1.00 32.13 H new ATOM 0 HB3 GLN A 106 -6.807 23.153 -1.224 1.00 32.13 H new ATOM 0 HG2 GLN A 106 -8.184 25.836 -1.001 1.00 22.25 H new ATOM 0 HG3 GLN A 106 -8.533 24.361 -0.121 1.00 22.25 H new ATOM 0 HE21 GLN A 106 -6.654 23.494 1.260 1.00 12.22 H new ATOM 0 HE22 GLN A 106 -5.743 24.703 2.170 1.00 12.22 H new ATOM 1634 N ASN A 107 -5.673 27.202 -1.909 1.00 64.20 N ATOM 1635 CA ASN A 107 -5.879 28.567 -2.379 1.00 2.04 C ATOM 1636 C ASN A 107 -4.715 29.023 -3.253 1.00 4.43 C ATOM 1637 O ASN A 107 -4.896 29.794 -4.196 1.00 71.22 O ATOM 1638 CB ASN A 107 -6.043 29.518 -1.191 1.00 23.31 C ATOM 1639 CG ASN A 107 -5.499 30.903 -1.480 1.00 51.53 C ATOM 1640 OD1 ASN A 107 -4.199 31.084 -1.276 1.00 51.02 O flip ATOM 1641 ND2 ASN A 107 -6.239 31.801 -1.883 1.00 34.42 N flip ATOM 0 H ASN A 107 -5.310 27.133 -0.958 1.00 64.20 H new ATOM 0 HA ASN A 107 -6.789 28.585 -2.979 1.00 2.04 H new ATOM 0 HB2 ASN A 107 -7.099 29.592 -0.932 1.00 23.31 H new ATOM 0 HB3 ASN A 107 -5.530 29.103 -0.323 1.00 23.31 H new ATOM 0 HD21 ASN A 107 -7.232 31.618 -2.026 1.00 34.42 H new ATOM 0 HD22 ASN A 107 -5.859 32.728 -2.074 1.00 34.42 H new ATOM 1648 N THR A 108 -3.517 28.542 -2.933 1.00 13.11 N ATOM 1649 CA THR A 108 -2.323 28.900 -3.688 1.00 11.24 C ATOM 1650 C THR A 108 -2.214 28.078 -4.967 1.00 22.05 C ATOM 1651 O THR A 108 -1.771 28.578 -6.001 1.00 1.10 O ATOM 1652 CB THR A 108 -1.047 28.697 -2.849 1.00 62.15 C ATOM 1653 OG1 THR A 108 -0.886 29.783 -1.930 1.00 40.25 O ATOM 1654 CG2 THR A 108 0.179 28.598 -3.745 1.00 52.02 C ATOM 0 H THR A 108 -3.349 27.903 -2.156 1.00 13.11 H new ATOM 0 HA THR A 108 -2.416 29.955 -3.945 1.00 11.24 H new ATOM 0 HB THR A 108 -1.148 27.765 -2.294 1.00 62.15 H new ATOM 0 HG1 THR A 108 -1.429 29.618 -1.131 1.00 40.25 H new ATOM 0 HG21 THR A 108 1.068 28.455 -3.131 1.00 52.02 H new ATOM 0 HG22 THR A 108 0.067 27.752 -4.423 1.00 52.02 H new ATOM 0 HG23 THR A 108 0.282 29.516 -4.324 1.00 52.02 H new ATOM 1662 N ILE A 109 -2.620 26.815 -4.889 1.00 55.42 N ATOM 1663 CA ILE A 109 -2.570 25.925 -6.042 1.00 65.01 C ATOM 1664 C ILE A 109 -3.532 26.382 -7.133 1.00 13.13 C ATOM 1665 O ILE A 109 -3.325 26.106 -8.314 1.00 52.04 O ATOM 1666 CB ILE A 109 -2.908 24.475 -5.649 1.00 31.12 C ATOM 1667 CG1 ILE A 109 -1.697 23.804 -4.996 1.00 53.45 C ATOM 1668 CG2 ILE A 109 -3.363 23.688 -6.869 1.00 21.33 C ATOM 1669 CD1 ILE A 109 -1.587 24.070 -3.511 1.00 42.04 C ATOM 0 H ILE A 109 -2.987 26.385 -4.040 1.00 55.42 H new ATOM 0 HA ILE A 109 -1.550 25.961 -6.423 1.00 65.01 H new ATOM 0 HB ILE A 109 -3.724 24.491 -4.926 1.00 31.12 H new ATOM 0 HG12 ILE A 109 -1.755 22.728 -5.161 1.00 53.45 H new ATOM 0 HG13 ILE A 109 -0.789 24.153 -5.488 1.00 53.45 H new ATOM 0 HG21 ILE A 109 -3.598 22.665 -6.575 1.00 21.33 H new ATOM 0 HG22 ILE A 109 -4.251 24.157 -7.294 1.00 21.33 H new ATOM 0 HG23 ILE A 109 -2.567 23.678 -7.613 1.00 21.33 H new ATOM 0 HD11 ILE A 109 -0.707 23.564 -3.115 1.00 42.04 H new ATOM 0 HD12 ILE A 109 -1.497 25.143 -3.339 1.00 42.04 H new ATOM 0 HD13 ILE A 109 -2.478 23.695 -3.007 1.00 42.04 H new ATOM 1681 N VAL A 110 -4.586 27.085 -6.728 1.00 63.31 N ATOM 1682 CA VAL A 110 -5.580 27.583 -7.671 1.00 2.51 C ATOM 1683 C VAL A 110 -5.071 28.820 -8.403 1.00 61.12 C ATOM 1684 O VAL A 110 -5.427 29.063 -9.557 1.00 25.43 O ATOM 1685 CB VAL A 110 -6.903 27.929 -6.961 1.00 64.34 C ATOM 1686 CG1 VAL A 110 -7.524 26.681 -6.354 1.00 35.41 C ATOM 1687 CG2 VAL A 110 -6.675 28.992 -5.898 1.00 5.40 C ATOM 0 H VAL A 110 -4.773 27.322 -5.754 1.00 63.31 H new ATOM 0 HA VAL A 110 -5.760 26.786 -8.392 1.00 2.51 H new ATOM 0 HB VAL A 110 -7.598 28.330 -7.699 1.00 64.34 H new ATOM 0 HG11 VAL A 110 -8.458 26.944 -5.857 1.00 35.41 H new ATOM 0 HG12 VAL A 110 -7.725 25.955 -7.141 1.00 35.41 H new ATOM 0 HG13 VAL A 110 -6.836 26.248 -5.628 1.00 35.41 H new ATOM 0 HG21 VAL A 110 -7.620 29.224 -5.407 1.00 5.40 H new ATOM 0 HG22 VAL A 110 -5.964 28.622 -5.160 1.00 5.40 H new ATOM 0 HG23 VAL A 110 -6.278 29.894 -6.364 1.00 5.40 H new ATOM 1697 N LYS A 111 -4.235 29.600 -7.726 1.00 32.21 N ATOM 1698 CA LYS A 111 -3.674 30.812 -8.311 1.00 73.44 C ATOM 1699 C LYS A 111 -2.528 30.477 -9.260 1.00 41.14 C ATOM 1700 O LYS A 111 -2.262 31.212 -10.212 1.00 60.01 O ATOM 1701 CB LYS A 111 -3.181 31.753 -7.211 1.00 1.44 C ATOM 1702 CG LYS A 111 -1.708 31.584 -6.880 1.00 32.41 C ATOM 1703 CD LYS A 111 -1.398 32.044 -5.466 1.00 4.25 C ATOM 1704 CE LYS A 111 -1.185 33.549 -5.403 1.00 65.15 C ATOM 1705 NZ LYS A 111 -1.944 34.171 -4.284 1.00 54.01 N ATOM 0 H LYS A 111 -3.931 29.414 -6.770 1.00 32.21 H new ATOM 0 HA LYS A 111 -4.460 31.309 -8.880 1.00 73.44 H new ATOM 0 HB2 LYS A 111 -3.360 32.783 -7.519 1.00 1.44 H new ATOM 0 HB3 LYS A 111 -3.769 31.583 -6.309 1.00 1.44 H new ATOM 0 HG2 LYS A 111 -1.427 30.537 -6.993 1.00 32.41 H new ATOM 0 HG3 LYS A 111 -1.107 32.154 -7.589 1.00 32.41 H new ATOM 0 HD2 LYS A 111 -2.217 31.763 -4.803 1.00 4.25 H new ATOM 0 HD3 LYS A 111 -0.506 31.534 -5.104 1.00 4.25 H new ATOM 0 HE2 LYS A 111 -0.123 33.760 -5.283 1.00 65.15 H new ATOM 0 HE3 LYS A 111 -1.495 33.999 -6.346 1.00 65.15 H new ATOM 0 HZ1 LYS A 111 -1.772 35.197 -4.276 1.00 54.01 H new ATOM 0 HZ2 LYS A 111 -2.960 33.991 -4.412 1.00 54.01 H new ATOM 0 HZ3 LYS A 111 -1.631 33.760 -3.381 1.00 54.01 H new ATOM 1719 N HIS A 112 -1.853 29.363 -8.996 1.00 63.00 N ATOM 1720 CA HIS A 112 -0.736 28.930 -9.828 1.00 41.24 C ATOM 1721 C HIS A 112 -1.170 27.828 -10.790 1.00 52.43 C ATOM 1722 O HIS A 112 -0.882 27.885 -11.986 1.00 22.41 O ATOM 1723 CB HIS A 112 0.417 28.435 -8.955 1.00 1.23 C ATOM 1724 CG HIS A 112 0.821 29.407 -7.889 1.00 31.10 C ATOM 1725 ND1 HIS A 112 1.190 29.207 -6.602 1.00 51.41 N flip ATOM 1726 CD2 HIS A 112 0.875 30.769 -8.094 1.00 60.22 C flip ATOM 1727 CE1 HIS A 112 1.459 30.439 -6.059 1.00 44.22 C flip ATOM 1728 NE2 HIS A 112 1.261 31.365 -6.980 1.00 53.22 N flip ATOM 0 H HIS A 112 -2.060 28.744 -8.212 1.00 63.00 H new ATOM 0 HA HIS A 112 -0.398 29.786 -10.412 1.00 41.24 H new ATOM 0 HB2 HIS A 112 0.129 27.494 -8.487 1.00 1.23 H new ATOM 0 HB3 HIS A 112 1.278 28.225 -9.589 1.00 1.23 H new ATOM 0 HD1 HIS A 112 1.256 28.308 -6.124 1.00 51.41 H new ATOM 0 HD2 HIS A 112 0.639 31.271 -9.021 1.00 60.22 H new ATOM 0 HE1 HIS A 112 1.780 30.621 -5.044 1.00 44.22 H new ATOM 1736 N VAL A 113 -1.865 26.827 -10.260 1.00 64.53 N ATOM 1737 CA VAL A 113 -2.339 25.712 -11.072 1.00 20.24 C ATOM 1738 C VAL A 113 -3.769 25.947 -11.546 1.00 64.31 C ATOM 1739 O VAL A 113 -4.159 25.496 -12.622 1.00 64.13 O ATOM 1740 CB VAL A 113 -2.280 24.385 -10.292 1.00 31.14 C ATOM 1741 CG1 VAL A 113 -2.423 23.202 -11.238 1.00 13.45 C ATOM 1742 CG2 VAL A 113 -0.985 24.290 -9.499 1.00 12.41 C ATOM 0 H VAL A 113 -2.112 26.765 -9.272 1.00 64.53 H new ATOM 0 HA VAL A 113 -1.679 25.646 -11.937 1.00 20.24 H new ATOM 0 HB VAL A 113 -3.113 24.360 -9.589 1.00 31.14 H new ATOM 0 HG11 VAL A 113 -2.379 22.274 -10.669 1.00 13.45 H new ATOM 0 HG12 VAL A 113 -3.380 23.265 -11.757 1.00 13.45 H new ATOM 0 HG13 VAL A 113 -1.613 23.219 -11.967 1.00 13.45 H new ATOM 0 HG21 VAL A 113 -0.960 23.346 -8.954 1.00 12.41 H new ATOM 0 HG22 VAL A 113 -0.136 24.337 -10.181 1.00 12.41 H new ATOM 0 HG23 VAL A 113 -0.929 25.118 -8.793 1.00 12.41 H new ATOM 1752 N GLY A 114 -4.547 26.657 -10.735 1.00 23.12 N ATOM 1753 CA GLY A 114 -5.925 26.940 -11.089 1.00 52.20 C ATOM 1754 C GLY A 114 -6.043 28.043 -12.123 1.00 34.35 C ATOM 1755 O GLY A 114 -7.047 28.136 -12.828 1.00 72.13 O ATOM 0 H GLY A 114 -4.247 27.041 -9.839 1.00 23.12 H new ATOM 0 HA2 GLY A 114 -6.391 26.033 -11.474 1.00 52.20 H new ATOM 0 HA3 GLY A 114 -6.476 27.226 -10.193 1.00 52.20 H new ATOM 1759 N ALA A 115 -5.016 28.881 -12.211 1.00 52.21 N ATOM 1760 CA ALA A 115 -5.009 29.983 -13.166 1.00 32.51 C ATOM 1761 C ALA A 115 -6.257 30.847 -13.016 1.00 63.22 C ATOM 1762 O ALA A 115 -6.571 31.659 -13.887 1.00 4.20 O ATOM 1763 CB ALA A 115 -4.902 29.449 -14.587 1.00 30.34 C ATOM 0 H ALA A 115 -4.178 28.818 -11.633 1.00 52.21 H new ATOM 0 HA ALA A 115 -4.140 30.607 -12.958 1.00 32.51 H new ATOM 0 HB1 ALA A 115 -4.898 30.282 -15.290 1.00 30.34 H new ATOM 0 HB2 ALA A 115 -3.978 28.880 -14.693 1.00 30.34 H new ATOM 0 HB3 ALA A 115 -5.753 28.801 -14.797 1.00 30.34 H new ATOM 1769 N THR A 116 -6.966 30.667 -11.907 1.00 34.54 N ATOM 1770 CA THR A 116 -8.181 31.428 -11.644 1.00 3.32 C ATOM 1771 C THR A 116 -8.187 31.981 -10.223 1.00 24.40 C ATOM 1772 O THR A 116 -8.741 33.049 -9.964 1.00 62.45 O ATOM 1773 CB THR A 116 -9.441 30.567 -11.853 1.00 25.12 C ATOM 1774 OG1 THR A 116 -9.180 29.215 -11.459 1.00 73.14 O ATOM 1775 CG2 THR A 116 -9.884 30.601 -13.308 1.00 21.24 C ATOM 0 H THR A 116 -6.720 30.000 -11.176 1.00 34.54 H new ATOM 0 HA THR A 116 -8.194 32.256 -12.353 1.00 3.32 H new ATOM 0 HB THR A 116 -10.242 30.976 -11.237 1.00 25.12 H new ATOM 0 HG1 THR A 116 -8.517 28.821 -12.063 1.00 73.14 H new ATOM 0 HG21 THR A 116 -10.775 29.986 -13.431 1.00 21.24 H new ATOM 0 HG22 THR A 116 -10.109 31.628 -13.596 1.00 21.24 H new ATOM 0 HG23 THR A 116 -9.085 30.214 -13.941 1.00 21.24 H new ATOM 1783 N ALA A 117 -7.566 31.247 -9.305 1.00 71.41 N ATOM 1784 CA ALA A 117 -7.498 31.665 -7.911 1.00 2.14 C ATOM 1785 C ALA A 117 -8.887 31.969 -7.360 1.00 41.30 C ATOM 1786 O ALA A 117 -9.868 31.989 -8.102 1.00 54.12 O ATOM 1787 CB ALA A 117 -6.594 32.881 -7.768 1.00 23.40 C ATOM 0 H ALA A 117 -7.103 30.360 -9.502 1.00 71.41 H new ATOM 0 HA ALA A 117 -7.078 30.843 -7.331 1.00 2.14 H new ATOM 0 HB1 ALA A 117 -6.552 33.182 -6.721 1.00 23.40 H new ATOM 0 HB2 ALA A 117 -5.591 32.631 -8.114 1.00 23.40 H new ATOM 0 HB3 ALA A 117 -6.990 33.701 -8.366 1.00 23.40 H new ATOM 1793 N ALA A 118 -8.962 32.205 -6.054 1.00 73.03 N ATOM 1794 CA ALA A 118 -10.231 32.509 -5.405 1.00 13.31 C ATOM 1795 C ALA A 118 -10.167 33.846 -4.674 1.00 32.02 C ATOM 1796 O ALA A 118 -10.968 34.745 -4.932 1.00 21.41 O ATOM 1797 CB ALA A 118 -10.611 31.396 -4.440 1.00 71.44 C ATOM 0 H ALA A 118 -8.159 32.191 -5.425 1.00 73.03 H new ATOM 0 HA ALA A 118 -10.997 32.582 -6.177 1.00 13.31 H new ATOM 0 HB1 ALA A 118 -11.561 31.637 -3.963 1.00 71.44 H new ATOM 0 HB2 ALA A 118 -10.707 30.458 -4.986 1.00 71.44 H new ATOM 0 HB3 ALA A 118 -9.838 31.295 -3.679 1.00 71.44 H new ATOM 1803 N SER A 119 -9.210 33.970 -3.760 1.00 11.02 N ATOM 1804 CA SER A 119 -9.045 35.196 -2.988 1.00 23.03 C ATOM 1805 C SER A 119 -10.316 35.524 -2.210 1.00 24.21 C ATOM 1806 O SER A 119 -11.268 36.077 -2.760 1.00 24.33 O ATOM 1807 CB SER A 119 -8.684 36.361 -3.912 1.00 21.24 C ATOM 1808 OG SER A 119 -7.373 36.832 -3.650 1.00 53.11 O ATOM 0 H SER A 119 -8.537 33.237 -3.536 1.00 11.02 H new ATOM 0 HA SER A 119 -8.234 35.041 -2.276 1.00 23.03 H new ATOM 0 HB2 SER A 119 -8.758 36.041 -4.951 1.00 21.24 H new ATOM 0 HB3 SER A 119 -9.399 37.172 -3.776 1.00 21.24 H new ATOM 0 HG SER A 119 -7.165 37.575 -4.254 1.00 53.11 H new ATOM 1814 N ALA A 120 -10.322 35.178 -0.927 1.00 11.24 N ATOM 1815 CA ALA A 120 -11.474 35.437 -0.072 1.00 21.23 C ATOM 1816 C ALA A 120 -11.040 35.991 1.281 1.00 11.20 C ATOM 1817 O ALA A 120 -10.361 35.313 2.052 1.00 74.31 O ATOM 1818 CB ALA A 120 -12.290 34.166 0.114 1.00 64.13 C ATOM 0 H ALA A 120 -9.542 34.718 -0.457 1.00 11.24 H new ATOM 0 HA ALA A 120 -12.096 36.187 -0.560 1.00 21.23 H new ATOM 0 HB1 ALA A 120 -13.147 34.374 0.755 1.00 64.13 H new ATOM 0 HB2 ALA A 120 -12.639 33.813 -0.856 1.00 64.13 H new ATOM 0 HB3 ALA A 120 -11.669 33.399 0.577 1.00 64.13 H new ATOM 1824 N SER A 121 -11.436 37.229 1.563 1.00 63.53 N ATOM 1825 CA SER A 121 -11.084 37.876 2.821 1.00 25.21 C ATOM 1826 C SER A 121 -11.899 37.300 3.975 1.00 53.42 C ATOM 1827 O SER A 121 -12.927 37.857 4.361 1.00 25.02 O ATOM 1828 CB SER A 121 -11.311 39.386 2.724 1.00 72.54 C ATOM 1829 OG SER A 121 -10.654 40.069 3.776 1.00 3.43 O ATOM 0 H SER A 121 -12.001 37.803 0.937 1.00 63.53 H new ATOM 0 HA SER A 121 -10.028 37.687 3.015 1.00 25.21 H new ATOM 0 HB2 SER A 121 -10.945 39.751 1.765 1.00 72.54 H new ATOM 0 HB3 SER A 121 -12.379 39.599 2.759 1.00 72.54 H new ATOM 0 HG SER A 121 -10.813 41.032 3.690 1.00 3.43 H new ATOM 1835 N ALA A 122 -11.433 36.182 4.520 1.00 33.35 N ATOM 1836 CA ALA A 122 -12.117 35.531 5.631 1.00 13.00 C ATOM 1837 C ALA A 122 -12.461 36.534 6.727 1.00 34.32 C ATOM 1838 O ALA A 122 -11.809 37.570 6.861 1.00 24.53 O ATOM 1839 CB ALA A 122 -11.260 34.406 6.192 1.00 34.02 C ATOM 0 H ALA A 122 -10.585 35.708 4.211 1.00 33.35 H new ATOM 0 HA ALA A 122 -13.049 35.110 5.255 1.00 13.00 H new ATOM 0 HB1 ALA A 122 -11.783 33.929 7.021 1.00 34.02 H new ATOM 0 HB2 ALA A 122 -11.069 33.670 5.411 1.00 34.02 H new ATOM 0 HB3 ALA A 122 -10.313 34.812 6.547 1.00 34.02 H new TER 1845 ALA A 122