USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 923 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 27 THR OG1 : rot 36:sc= 0.616 USER MOD Set 1.2: A 34 GLN : amide:sc= -0.783 K(o=-0.17,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.239 (180deg=-1.28!) USER MOD Single : A 1 MET N :NH3+ -162:sc=-0.00766 (180deg=-0.267) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0895 K(o=-0.09,f=-2.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.7!) USER MOD Single : A 33 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.46) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00904 K(o=-0.009,f=-0.84) USER MOD Single : A 38 GLN : amide:sc= -0.0936 K(o=-0.094,f=-4.9!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -2.25! C(o=-2.2!,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0246 (180deg=-0.296) USER MOD Single : A 61 SER OG : rot 47:sc= 0.55 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -12:sc= 0.651 USER MOD Single : A 80 SER OG : rot -12:sc= -0.105 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -129:sc= -0.0277 (180deg=-0.434) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -144:sc= -3.09! (180deg=-3.85!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= -0.668 (180deg=-2.42!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -150:sc= -0.239 (180deg=-1.36!) USER MOD Single : A 103 CYS SG : rot 180:sc= -1.65 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -7:sc= 0.364 USER MOD Single : A 116 THR OG1 : rot 10:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -59.772 55.207 -32.023 1.00 0.00 N ATOM 2 CA MET A 1 -59.126 53.944 -31.566 1.00 0.00 C ATOM 3 C MET A 1 -57.817 54.272 -30.857 1.00 0.00 C ATOM 4 O MET A 1 -56.736 54.115 -31.426 1.00 0.00 O ATOM 5 CB MET A 1 -58.856 53.046 -32.773 1.00 0.00 C ATOM 6 CG MET A 1 -60.176 52.473 -33.290 1.00 0.00 C ATOM 7 SD MET A 1 -59.869 51.528 -34.802 1.00 0.00 S ATOM 8 CE MET A 1 -58.837 50.239 -34.064 1.00 0.00 C ATOM 0 H1 MET A 1 -60.777 55.030 -32.225 1.00 0.00 H new ATOM 0 H2 MET A 1 -59.690 55.928 -31.278 1.00 0.00 H new ATOM 0 H3 MET A 1 -59.300 55.546 -32.886 1.00 0.00 H new ATOM 0 HA MET A 1 -59.787 53.423 -30.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 -58.362 53.616 -33.560 1.00 0.00 H new ATOM 0 HB3 MET A 1 -58.181 52.237 -32.494 1.00 0.00 H new ATOM 0 HG2 MET A 1 -60.628 51.832 -32.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 -60.882 53.279 -33.489 1.00 0.00 H new ATOM 0 HE1 MET A 1 -58.921 49.325 -34.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 -57.798 50.568 -34.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 -59.170 50.046 -33.044 1.00 0.00 H new ATOM 18 N SER A 2 -57.921 54.726 -29.613 1.00 0.00 N ATOM 19 CA SER A 2 -56.737 55.072 -28.836 1.00 0.00 C ATOM 20 C SER A 2 -55.826 53.861 -28.679 1.00 0.00 C ATOM 21 O SER A 2 -54.604 53.973 -28.773 1.00 0.00 O ATOM 22 CB SER A 2 -57.150 55.582 -27.454 1.00 0.00 C ATOM 23 OG SER A 2 -57.974 56.731 -27.605 1.00 0.00 O ATOM 0 H SER A 2 -58.806 54.862 -29.124 1.00 0.00 H new ATOM 0 HA SER A 2 -56.195 55.855 -29.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 -57.687 54.804 -26.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -56.266 55.829 -26.865 1.00 0.00 H new ATOM 0 HG SER A 2 -58.242 57.060 -26.722 1.00 0.00 H new ATOM 29 N ALA A 3 -56.429 52.700 -28.439 1.00 0.00 N ATOM 30 CA ALA A 3 -55.660 51.472 -28.270 1.00 0.00 C ATOM 31 C ALA A 3 -55.202 50.945 -29.623 1.00 0.00 C ATOM 32 O ALA A 3 -56.015 50.502 -30.429 1.00 0.00 O ATOM 33 CB ALA A 3 -56.514 50.411 -27.576 1.00 0.00 C ATOM 0 H ALA A 3 -57.439 52.584 -28.358 1.00 0.00 H new ATOM 0 HA ALA A 3 -54.786 51.693 -27.657 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -55.932 49.498 -27.454 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -56.824 50.777 -26.597 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -57.396 50.201 -28.181 1.00 0.00 H new ATOM 39 N THR A 4 -53.891 50.995 -29.863 1.00 0.00 N ATOM 40 CA THR A 4 -53.321 50.517 -31.128 1.00 0.00 C ATOM 41 C THR A 4 -52.351 49.371 -30.875 1.00 0.00 C ATOM 42 O THR A 4 -51.438 49.486 -30.057 1.00 0.00 O ATOM 43 CB THR A 4 -52.590 51.663 -31.829 1.00 0.00 C ATOM 44 OG1 THR A 4 -53.508 52.717 -32.090 1.00 0.00 O ATOM 45 CG2 THR A 4 -52.004 51.158 -33.146 1.00 0.00 C ATOM 0 H THR A 4 -53.205 51.360 -29.203 1.00 0.00 H new ATOM 0 HA THR A 4 -54.131 50.158 -31.763 1.00 0.00 H new ATOM 0 HB THR A 4 -51.786 52.031 -31.191 1.00 0.00 H new ATOM 0 HG1 THR A 4 -53.042 53.454 -32.538 1.00 0.00 H new ATOM 0 HG21 THR A 4 -51.482 51.973 -33.648 1.00 0.00 H new ATOM 0 HG22 THR A 4 -51.303 50.347 -32.945 1.00 0.00 H new ATOM 0 HG23 THR A 4 -52.808 50.793 -33.786 1.00 0.00 H new ATOM 53 N ALA A 5 -52.560 48.265 -31.582 1.00 0.00 N ATOM 54 CA ALA A 5 -51.698 47.101 -31.426 1.00 0.00 C ATOM 55 C ALA A 5 -50.286 47.416 -31.909 1.00 0.00 C ATOM 56 O ALA A 5 -50.103 48.092 -32.922 1.00 0.00 O ATOM 57 CB ALA A 5 -52.262 45.924 -32.226 1.00 0.00 C ATOM 0 H ALA A 5 -53.312 48.151 -32.262 1.00 0.00 H new ATOM 0 HA ALA A 5 -51.660 46.837 -30.369 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -51.612 45.057 -32.105 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -53.261 45.683 -31.863 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -52.315 46.193 -33.281 1.00 0.00 H new ATOM 63 N ALA A 6 -49.292 46.922 -31.182 1.00 0.00 N ATOM 64 CA ALA A 6 -47.901 47.157 -31.547 1.00 0.00 C ATOM 65 C ALA A 6 -46.984 46.221 -30.771 1.00 0.00 C ATOM 66 O ALA A 6 -46.694 46.456 -29.602 1.00 0.00 O ATOM 67 CB ALA A 6 -47.519 48.606 -31.243 1.00 0.00 C ATOM 0 H ALA A 6 -49.422 46.359 -30.341 1.00 0.00 H new ATOM 0 HA ALA A 6 -47.787 46.966 -32.614 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -46.478 48.773 -31.519 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -48.158 49.278 -31.815 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -47.648 48.801 -30.178 1.00 0.00 H new ATOM 73 N THR A 7 -46.531 45.159 -31.434 1.00 0.00 N ATOM 74 CA THR A 7 -45.642 44.181 -30.801 1.00 0.00 C ATOM 75 C THR A 7 -44.376 44.012 -31.619 1.00 0.00 C ATOM 76 O THR A 7 -44.430 43.823 -32.836 1.00 0.00 O ATOM 77 CB THR A 7 -46.355 42.836 -30.673 1.00 0.00 C ATOM 78 OG1 THR A 7 -47.529 43.000 -29.890 1.00 0.00 O ATOM 79 CG2 THR A 7 -45.424 41.830 -29.996 1.00 0.00 C ATOM 0 H THR A 7 -46.762 44.952 -32.406 1.00 0.00 H new ATOM 0 HA THR A 7 -45.375 44.544 -29.808 1.00 0.00 H new ATOM 0 HB THR A 7 -46.626 42.469 -31.663 1.00 0.00 H new ATOM 0 HG1 THR A 7 -47.990 42.139 -29.807 1.00 0.00 H new ATOM 0 HG21 THR A 7 -45.931 40.870 -29.904 1.00 0.00 H new ATOM 0 HG22 THR A 7 -44.522 41.708 -30.596 1.00 0.00 H new ATOM 0 HG23 THR A 7 -45.154 42.194 -29.005 1.00 0.00 H new ATOM 87 N VAL A 8 -43.231 44.078 -30.945 1.00 0.00 N ATOM 88 CA VAL A 8 -41.951 43.926 -31.626 1.00 0.00 C ATOM 89 C VAL A 8 -40.952 43.188 -30.737 1.00 0.00 C ATOM 90 O VAL A 8 -41.014 43.277 -29.508 1.00 0.00 O ATOM 91 CB VAL A 8 -41.385 45.300 -32.001 1.00 0.00 C ATOM 92 CG1 VAL A 8 -42.088 45.816 -33.257 1.00 0.00 C ATOM 93 CG2 VAL A 8 -41.622 46.271 -30.846 1.00 0.00 C ATOM 0 H VAL A 8 -43.164 44.234 -29.939 1.00 0.00 H new ATOM 0 HA VAL A 8 -42.115 43.343 -32.532 1.00 0.00 H new ATOM 0 HB VAL A 8 -40.316 45.217 -32.196 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -41.686 46.793 -33.524 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -41.923 45.119 -34.079 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -43.157 45.904 -33.065 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -41.222 47.251 -31.106 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -42.692 46.355 -30.655 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -41.122 45.901 -29.951 1.00 0.00 H new ATOM 103 N PRO A 9 -40.038 42.463 -31.335 1.00 0.00 N ATOM 104 CA PRO A 9 -39.014 41.697 -30.582 1.00 0.00 C ATOM 105 C PRO A 9 -38.031 42.610 -29.841 1.00 0.00 C ATOM 106 O PRO A 9 -37.971 43.815 -30.101 1.00 0.00 O ATOM 107 CB PRO A 9 -38.294 40.870 -31.668 1.00 0.00 C ATOM 108 CG PRO A 9 -38.529 41.618 -32.938 1.00 0.00 C ATOM 109 CD PRO A 9 -39.887 42.285 -32.788 1.00 0.00 C ATOM 0 HA PRO A 9 -39.462 41.080 -29.803 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -37.229 40.779 -31.454 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -38.695 39.858 -31.725 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -37.747 42.359 -33.105 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -38.518 40.945 -33.795 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -39.923 43.240 -33.313 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -40.684 41.665 -33.199 1.00 0.00 H new ATOM 117 N PRO A 10 -37.252 42.053 -28.946 1.00 0.00 N ATOM 118 CA PRO A 10 -36.239 42.832 -28.173 1.00 0.00 C ATOM 119 C PRO A 10 -35.292 43.614 -29.087 1.00 0.00 C ATOM 120 O PRO A 10 -34.918 43.144 -30.162 1.00 0.00 O ATOM 121 CB PRO A 10 -35.470 41.750 -27.387 1.00 0.00 C ATOM 122 CG PRO A 10 -36.399 40.583 -27.303 1.00 0.00 C ATOM 123 CD PRO A 10 -37.259 40.627 -28.559 1.00 0.00 C ATOM 0 HA PRO A 10 -36.702 43.584 -27.534 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -34.544 41.479 -27.895 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -35.196 42.106 -26.394 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.843 39.647 -27.246 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -37.017 40.642 -26.407 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -36.847 39.997 -29.347 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -38.271 40.271 -28.363 1.00 0.00 H new ATOM 131 N ALA A 11 -34.911 44.808 -28.645 1.00 0.00 N ATOM 132 CA ALA A 11 -34.010 45.647 -29.425 1.00 0.00 C ATOM 133 C ALA A 11 -32.651 44.971 -29.579 1.00 0.00 C ATOM 134 O ALA A 11 -32.028 45.048 -30.638 1.00 0.00 O ATOM 135 CB ALA A 11 -33.836 47.003 -28.740 1.00 0.00 C ATOM 0 H ALA A 11 -35.209 45.214 -27.758 1.00 0.00 H new ATOM 0 HA ALA A 11 -34.443 45.795 -30.414 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -33.161 47.624 -29.329 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -34.805 47.496 -28.658 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -33.418 46.857 -27.744 1.00 0.00 H new ATOM 141 N ALA A 12 -32.198 44.309 -28.519 1.00 0.00 N ATOM 142 CA ALA A 12 -30.909 43.625 -28.551 1.00 0.00 C ATOM 143 C ALA A 12 -29.786 44.610 -28.859 1.00 0.00 C ATOM 144 O ALA A 12 -29.047 44.442 -29.828 1.00 0.00 O ATOM 145 CB ALA A 12 -30.928 42.523 -29.608 1.00 0.00 C ATOM 0 H ALA A 12 -32.699 44.231 -27.634 1.00 0.00 H new ATOM 0 HA ALA A 12 -30.730 43.183 -27.571 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -29.962 42.018 -29.625 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -31.710 41.802 -29.368 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -31.126 42.961 -30.586 1.00 0.00 H new ATOM 151 N PRO A 13 -29.651 45.634 -28.054 1.00 0.00 N ATOM 152 CA PRO A 13 -28.596 46.674 -28.238 1.00 0.00 C ATOM 153 C PRO A 13 -27.201 46.131 -27.945 1.00 0.00 C ATOM 154 O PRO A 13 -27.042 45.192 -27.166 1.00 0.00 O ATOM 155 CB PRO A 13 -28.991 47.774 -27.237 1.00 0.00 C ATOM 156 CG PRO A 13 -29.775 47.065 -26.176 1.00 0.00 C ATOM 157 CD PRO A 13 -30.490 45.907 -26.873 1.00 0.00 C ATOM 0 HA PRO A 13 -28.544 47.033 -29.266 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -28.111 48.262 -26.818 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -29.587 48.550 -27.717 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -29.118 46.698 -25.387 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -30.492 47.739 -25.707 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -30.564 45.034 -26.224 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -31.506 46.178 -27.159 1.00 0.00 H new ATOM 165 N ALA A 14 -26.195 46.735 -28.569 1.00 0.00 N ATOM 166 CA ALA A 14 -24.811 46.312 -28.365 1.00 0.00 C ATOM 167 C ALA A 14 -23.880 47.520 -28.356 1.00 0.00 C ATOM 168 O ALA A 14 -24.100 48.492 -29.078 1.00 0.00 O ATOM 169 CB ALA A 14 -24.393 45.349 -29.476 1.00 0.00 C ATOM 0 H ALA A 14 -26.309 47.515 -29.217 1.00 0.00 H new ATOM 0 HA ALA A 14 -24.740 45.807 -27.402 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -23.360 45.038 -29.318 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -25.042 44.474 -29.462 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -24.478 45.848 -30.441 1.00 0.00 H new ATOM 175 N GLY A 15 -22.841 47.450 -27.531 1.00 0.00 N ATOM 176 CA GLY A 15 -21.881 48.542 -27.432 1.00 0.00 C ATOM 177 C GLY A 15 -21.037 48.414 -26.169 1.00 0.00 C ATOM 178 O GLY A 15 -21.567 48.328 -25.062 1.00 0.00 O ATOM 0 H GLY A 15 -22.643 46.654 -26.925 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.233 48.542 -28.308 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.409 49.496 -27.426 1.00 0.00 H new ATOM 182 N GLU A 16 -19.722 48.400 -26.341 1.00 0.00 N ATOM 183 CA GLU A 16 -18.812 48.285 -25.207 1.00 0.00 C ATOM 184 C GLU A 16 -18.851 49.545 -24.357 1.00 0.00 C ATOM 185 O GLU A 16 -19.026 49.479 -23.141 1.00 0.00 O ATOM 186 CB GLU A 16 -17.384 48.037 -25.700 1.00 0.00 C ATOM 187 CG GLU A 16 -17.294 46.655 -26.373 1.00 0.00 C ATOM 188 CD GLU A 16 -17.790 46.736 -27.813 1.00 0.00 C ATOM 189 OE1 GLU A 16 -18.269 47.787 -28.200 1.00 0.00 O ATOM 190 OE2 GLU A 16 -17.697 45.736 -28.506 1.00 0.00 O ATOM 0 H GLU A 16 -19.262 48.466 -27.249 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.132 47.441 -24.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.094 48.815 -26.406 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -16.687 48.090 -24.864 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.263 46.300 -26.355 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.890 45.932 -25.816 1.00 0.00 H new ATOM 197 N GLY A 17 -18.685 50.693 -25.003 1.00 0.00 N ATOM 198 CA GLY A 17 -18.701 51.967 -24.295 1.00 0.00 C ATOM 199 C GLY A 17 -17.921 51.875 -22.986 1.00 0.00 C ATOM 200 O GLY A 17 -18.105 52.692 -22.084 1.00 0.00 O ATOM 0 H GLY A 17 -18.539 50.768 -26.010 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.269 52.743 -24.926 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.731 52.260 -24.089 1.00 0.00 H new ATOM 204 N GLY A 18 -17.051 50.875 -22.891 1.00 0.00 N ATOM 205 CA GLY A 18 -16.249 50.685 -21.687 1.00 0.00 C ATOM 206 C GLY A 18 -15.757 49.247 -21.585 1.00 0.00 C ATOM 207 O GLY A 18 -16.262 48.461 -20.782 1.00 0.00 O ATOM 0 H GLY A 18 -16.884 50.188 -23.627 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -15.397 51.365 -21.701 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.842 50.934 -20.807 1.00 0.00 H new ATOM 211 N PRO A 19 -14.789 48.894 -22.388 1.00 0.00 N ATOM 212 CA PRO A 19 -14.218 47.521 -22.397 1.00 0.00 C ATOM 213 C PRO A 19 -13.652 47.124 -21.031 1.00 0.00 C ATOM 214 O PRO A 19 -13.777 47.868 -20.056 1.00 0.00 O ATOM 215 CB PRO A 19 -13.106 47.580 -23.468 1.00 0.00 C ATOM 216 CG PRO A 19 -13.417 48.785 -24.298 1.00 0.00 C ATOM 217 CD PRO A 19 -14.140 49.765 -23.375 1.00 0.00 C ATOM 0 HA PRO A 19 -14.975 46.768 -22.617 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.121 47.663 -23.008 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.098 46.675 -24.076 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.505 49.228 -24.698 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.043 48.520 -25.150 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.444 50.458 -22.902 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.868 50.366 -23.920 1.00 0.00 H new ATOM 225 N PRO A 20 -13.027 45.975 -20.954 1.00 0.00 N ATOM 226 CA PRO A 20 -12.420 45.472 -19.687 1.00 0.00 C ATOM 227 C PRO A 20 -11.339 46.408 -19.161 1.00 0.00 C ATOM 228 O PRO A 20 -10.628 47.051 -19.935 1.00 0.00 O ATOM 229 CB PRO A 20 -11.828 44.100 -20.078 1.00 0.00 C ATOM 230 CG PRO A 20 -12.521 43.718 -21.348 1.00 0.00 C ATOM 231 CD PRO A 20 -12.827 45.026 -22.060 1.00 0.00 C ATOM 0 HA PRO A 20 -13.151 45.405 -18.881 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.749 44.164 -20.222 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.002 43.360 -19.297 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.888 43.077 -21.962 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.435 43.161 -21.143 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.007 45.332 -22.709 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.716 44.945 -22.686 1.00 0.00 H new ATOM 239 N ALA A 21 -11.213 46.473 -17.839 1.00 0.00 N ATOM 240 CA ALA A 21 -10.209 47.324 -17.222 1.00 0.00 C ATOM 241 C ALA A 21 -9.675 46.689 -15.935 1.00 0.00 C ATOM 242 O ALA A 21 -10.376 45.921 -15.272 1.00 0.00 O ATOM 243 CB ALA A 21 -10.811 48.702 -16.911 1.00 0.00 C ATOM 0 H ALA A 21 -11.790 45.950 -17.181 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.380 47.440 -17.920 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.053 49.334 -16.449 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.156 49.165 -17.835 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.652 48.586 -16.228 1.00 0.00 H new ATOM 249 N PRO A 22 -8.455 47.000 -15.575 1.00 0.00 N ATOM 250 CA PRO A 22 -7.820 46.454 -14.345 1.00 0.00 C ATOM 251 C PRO A 22 -8.506 46.957 -13.071 1.00 0.00 C ATOM 252 O PRO A 22 -9.203 47.975 -13.085 1.00 0.00 O ATOM 253 CB PRO A 22 -6.364 46.954 -14.422 1.00 0.00 C ATOM 254 CG PRO A 22 -6.412 48.152 -15.316 1.00 0.00 C ATOM 255 CD PRO A 22 -7.543 47.898 -16.303 1.00 0.00 C ATOM 0 HA PRO A 22 -7.895 45.368 -14.297 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.983 47.214 -13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.704 46.186 -14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.593 49.060 -14.741 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.464 48.288 -15.836 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.039 48.825 -16.589 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.177 47.437 -17.220 1.00 0.00 H new ATOM 263 N PRO A 23 -8.313 46.265 -11.977 1.00 0.00 N ATOM 264 CA PRO A 23 -8.918 46.647 -10.674 1.00 0.00 C ATOM 265 C PRO A 23 -8.291 47.919 -10.098 1.00 0.00 C ATOM 266 O PRO A 23 -7.203 48.329 -10.509 1.00 0.00 O ATOM 267 CB PRO A 23 -8.640 45.432 -9.767 1.00 0.00 C ATOM 268 CG PRO A 23 -7.442 44.765 -10.367 1.00 0.00 C ATOM 269 CD PRO A 23 -7.502 45.041 -11.867 1.00 0.00 C ATOM 0 HA PRO A 23 -9.980 46.875 -10.768 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.446 45.742 -8.740 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.495 44.757 -9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.522 45.159 -9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.454 43.693 -10.168 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.506 45.184 -12.286 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.958 44.211 -12.407 1.00 0.00 H new ATOM 277 N PRO A 24 -8.949 48.538 -9.147 1.00 0.00 N ATOM 278 CA PRO A 24 -8.443 49.774 -8.491 1.00 0.00 C ATOM 279 C PRO A 24 -6.947 49.693 -8.184 1.00 0.00 C ATOM 280 O PRO A 24 -6.323 48.644 -8.345 1.00 0.00 O ATOM 281 CB PRO A 24 -9.265 49.854 -7.195 1.00 0.00 C ATOM 282 CG PRO A 24 -10.553 49.147 -7.495 1.00 0.00 C ATOM 283 CD PRO A 24 -10.259 48.128 -8.603 1.00 0.00 C ATOM 0 HA PRO A 24 -8.552 50.652 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.740 49.378 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.444 50.890 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.935 48.648 -6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.316 49.856 -7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.224 47.112 -8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.031 48.145 -9.372 1.00 0.00 H new ATOM 291 N ASN A 25 -6.381 50.808 -7.739 1.00 0.00 N ATOM 292 CA ASN A 25 -4.961 50.851 -7.415 1.00 0.00 C ATOM 293 C ASN A 25 -4.640 49.888 -6.276 1.00 0.00 C ATOM 294 O ASN A 25 -3.617 49.203 -6.303 1.00 0.00 O ATOM 295 CB ASN A 25 -4.566 52.275 -7.008 1.00 0.00 C ATOM 296 CG ASN A 25 -4.470 53.165 -8.243 1.00 0.00 C ATOM 297 OD1 ASN A 25 -4.411 52.664 -9.365 1.00 0.00 O ATOM 298 ND2 ASN A 25 -4.447 54.462 -8.102 1.00 0.00 N ATOM 0 H ASN A 25 -6.878 51.687 -7.595 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.395 50.551 -8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.302 52.681 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.610 52.260 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.380 55.063 -8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.496 54.875 -7.171 1.00 0.00 H new ATOM 305 N LEU A 26 -5.511 49.841 -5.277 1.00 0.00 N ATOM 306 CA LEU A 26 -5.303 48.958 -4.133 1.00 0.00 C ATOM 307 C LEU A 26 -5.815 47.560 -4.454 1.00 0.00 C ATOM 308 O LEU A 26 -6.986 47.378 -4.777 1.00 0.00 O ATOM 309 CB LEU A 26 -6.045 49.507 -2.901 1.00 0.00 C ATOM 310 CG LEU A 26 -7.334 50.237 -3.355 1.00 0.00 C ATOM 311 CD1 LEU A 26 -8.406 50.107 -2.272 1.00 0.00 C ATOM 312 CD2 LEU A 26 -7.031 51.725 -3.600 1.00 0.00 C ATOM 0 H LEU A 26 -6.364 50.399 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.236 48.910 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.296 48.692 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.401 50.193 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.694 49.785 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.312 50.621 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.627 49.053 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.044 50.554 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.941 52.234 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.666 52.178 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.272 51.819 -4.376 1.00 0.00 H new ATOM 324 N THR A 27 -4.931 46.576 -4.352 1.00 0.00 N ATOM 325 CA THR A 27 -5.299 45.188 -4.624 1.00 0.00 C ATOM 326 C THR A 27 -5.570 44.443 -3.321 1.00 0.00 C ATOM 327 O THR A 27 -4.694 44.336 -2.462 1.00 0.00 O ATOM 328 CB THR A 27 -4.173 44.496 -5.390 1.00 0.00 C ATOM 329 OG1 THR A 27 -2.975 44.564 -4.629 1.00 0.00 O ATOM 330 CG2 THR A 27 -3.966 45.194 -6.736 1.00 0.00 C ATOM 0 H THR A 27 -3.956 46.710 -4.084 1.00 0.00 H new ATOM 0 HA THR A 27 -6.207 45.179 -5.227 1.00 0.00 H new ATOM 0 HB THR A 27 -4.436 43.452 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.187 44.478 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.162 44.700 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.886 45.142 -7.318 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.702 46.238 -6.568 1.00 0.00 H new ATOM 338 N SER A 28 -6.788 43.931 -3.183 1.00 0.00 N ATOM 339 CA SER A 28 -7.167 43.198 -1.981 1.00 0.00 C ATOM 340 C SER A 28 -6.342 41.921 -1.852 1.00 0.00 C ATOM 341 O SER A 28 -6.244 41.340 -0.771 1.00 0.00 O ATOM 342 CB SER A 28 -8.652 42.840 -2.032 1.00 0.00 C ATOM 343 OG SER A 28 -8.870 41.875 -3.054 1.00 0.00 O ATOM 0 H SER A 28 -7.525 44.009 -3.883 1.00 0.00 H new ATOM 0 HA SER A 28 -6.976 43.834 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.976 42.445 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.246 43.733 -2.227 1.00 0.00 H new ATOM 0 HG SER A 28 -9.822 41.643 -3.087 1.00 0.00 H new ATOM 349 N ASN A 29 -5.753 41.488 -2.961 1.00 0.00 N ATOM 350 CA ASN A 29 -4.940 40.277 -2.963 1.00 0.00 C ATOM 351 C ASN A 29 -3.582 40.541 -2.318 1.00 0.00 C ATOM 352 O ASN A 29 -3.112 41.677 -2.279 1.00 0.00 O ATOM 353 CB ASN A 29 -4.739 39.784 -4.396 1.00 0.00 C ATOM 354 CG ASN A 29 -6.048 39.228 -4.944 1.00 0.00 C ATOM 355 OD1 ASN A 29 -6.944 38.874 -4.177 1.00 0.00 O ATOM 356 ND2 ASN A 29 -6.217 39.133 -6.236 1.00 0.00 N ATOM 0 H ASN A 29 -5.822 41.954 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.461 39.513 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.390 40.603 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.969 39.013 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.092 38.765 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.474 39.427 -6.870 1.00 0.00 H new ATOM 363 N ARG A 30 -2.957 39.481 -1.814 1.00 0.00 N ATOM 364 CA ARG A 30 -1.654 39.610 -1.172 1.00 0.00 C ATOM 365 C ARG A 30 -0.577 39.931 -2.203 1.00 0.00 C ATOM 366 O ARG A 30 -0.642 39.478 -3.346 1.00 0.00 O ATOM 367 CB ARG A 30 -1.297 38.308 -0.450 1.00 0.00 C ATOM 368 CG ARG A 30 -2.238 38.107 0.739 1.00 0.00 C ATOM 369 CD ARG A 30 -1.935 36.765 1.410 1.00 0.00 C ATOM 370 NE ARG A 30 -0.571 36.763 1.933 1.00 0.00 N ATOM 371 CZ ARG A 30 -0.294 37.252 3.138 1.00 0.00 C ATOM 372 NH1 ARG A 30 -1.248 37.749 3.876 1.00 0.00 N ATOM 373 NH2 ARG A 30 0.934 37.237 3.581 1.00 0.00 N ATOM 0 H ARG A 30 -3.328 38.531 -1.837 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.705 40.425 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.377 37.465 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.263 38.342 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.115 38.920 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.275 38.132 0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.643 36.586 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.059 35.954 0.692 1.00 0.00 H new ATOM 0 HE ARG A 30 0.183 36.379 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.207 37.763 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.035 38.124 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.680 36.850 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.147 37.612 4.505 1.00 0.00 H new ATOM 387 N ARG A 31 0.416 40.713 -1.791 1.00 0.00 N ATOM 388 CA ARG A 31 1.503 41.090 -2.682 1.00 0.00 C ATOM 389 C ARG A 31 2.281 39.854 -3.124 1.00 0.00 C ATOM 390 O ARG A 31 2.748 39.778 -4.261 1.00 0.00 O ATOM 391 CB ARG A 31 2.445 42.071 -1.982 1.00 0.00 C ATOM 392 CG ARG A 31 1.743 43.419 -1.809 1.00 0.00 C ATOM 393 CD ARG A 31 2.666 44.381 -1.059 1.00 0.00 C ATOM 394 NE ARG A 31 2.854 43.929 0.315 1.00 0.00 N ATOM 395 CZ ARG A 31 3.662 44.578 1.147 1.00 0.00 C ATOM 396 NH1 ARG A 31 4.302 45.641 0.739 1.00 0.00 N ATOM 397 NH2 ARG A 31 3.818 44.154 2.371 1.00 0.00 N ATOM 0 H ARG A 31 0.489 41.096 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 31 1.076 41.572 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.741 41.676 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.356 42.196 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.482 43.833 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.811 43.288 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.630 44.441 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.240 45.384 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 31 2.357 43.101 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.182 45.973 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.922 46.139 1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.320 43.323 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.438 44.653 3.008 1.00 0.00 H new ATOM 411 N LEU A 32 2.419 38.893 -2.220 1.00 0.00 N ATOM 412 CA LEU A 32 3.142 37.669 -2.526 1.00 0.00 C ATOM 413 C LEU A 32 2.471 36.916 -3.662 1.00 0.00 C ATOM 414 O LEU A 32 3.143 36.374 -4.540 1.00 0.00 O ATOM 415 CB LEU A 32 3.200 36.777 -1.283 1.00 0.00 C ATOM 416 CG LEU A 32 4.172 37.385 -0.250 1.00 0.00 C ATOM 417 CD1 LEU A 32 3.809 36.888 1.153 1.00 0.00 C ATOM 418 CD2 LEU A 32 5.615 36.959 -0.572 1.00 0.00 C ATOM 0 H LEU A 32 2.041 38.938 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 32 4.153 37.935 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.206 36.679 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.527 35.774 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 32 4.094 38.471 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.497 37.319 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.790 37.190 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.882 35.801 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.295 37.392 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.690 35.872 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.884 37.310 -1.568 1.00 0.00 H new ATOM 430 N GLN A 33 1.149 36.881 -3.638 1.00 0.00 N ATOM 431 CA GLN A 33 0.398 36.188 -4.676 1.00 0.00 C ATOM 432 C GLN A 33 0.629 36.844 -6.032 1.00 0.00 C ATOM 433 O GLN A 33 0.711 36.160 -7.052 1.00 0.00 O ATOM 434 CB GLN A 33 -1.097 36.212 -4.340 1.00 0.00 C ATOM 435 CG GLN A 33 -1.374 35.305 -3.138 1.00 0.00 C ATOM 436 CD GLN A 33 -1.134 33.847 -3.521 1.00 0.00 C ATOM 437 OE1 GLN A 33 -1.625 33.387 -4.552 1.00 0.00 O ATOM 438 NE2 GLN A 33 -0.403 33.090 -2.749 1.00 0.00 N ATOM 0 H GLN A 33 0.576 37.320 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 33 0.743 35.155 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.413 37.231 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.678 35.879 -5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.728 35.582 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.402 35.437 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.003 33.473 -1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.238 32.115 -2.999 1.00 0.00 H new ATOM 447 N GLN A 34 0.726 38.170 -6.038 1.00 0.00 N ATOM 448 CA GLN A 34 0.943 38.902 -7.278 1.00 0.00 C ATOM 449 C GLN A 34 2.274 38.513 -7.911 1.00 0.00 C ATOM 450 O GLN A 34 2.314 38.067 -9.057 1.00 0.00 O ATOM 451 CB GLN A 34 0.928 40.405 -7.003 1.00 0.00 C ATOM 452 CG GLN A 34 -0.492 40.849 -6.652 1.00 0.00 C ATOM 453 CD GLN A 34 -0.509 42.338 -6.332 1.00 0.00 C ATOM 454 OE1 GLN A 34 0.118 42.775 -5.366 1.00 0.00 O ATOM 455 NE2 GLN A 34 -1.191 43.152 -7.091 1.00 0.00 N ATOM 0 H GLN A 34 0.658 38.754 -5.205 1.00 0.00 H new ATOM 0 HA GLN A 34 0.140 38.648 -7.970 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.607 40.642 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.284 40.948 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.163 40.640 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.858 40.281 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.710 42.789 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.205 44.151 -6.884 1.00 0.00 H new ATOM 464 N THR A 35 3.367 38.678 -7.161 1.00 0.00 N ATOM 465 CA THR A 35 4.692 38.333 -7.659 1.00 0.00 C ATOM 466 C THR A 35 5.116 36.974 -7.139 1.00 0.00 C ATOM 467 O THR A 35 5.012 36.688 -5.949 1.00 0.00 O ATOM 468 CB THR A 35 5.693 39.380 -7.208 1.00 0.00 C ATOM 469 OG1 THR A 35 7.010 38.846 -7.275 1.00 0.00 O ATOM 470 CG2 THR A 35 5.388 39.821 -5.774 1.00 0.00 C ATOM 0 H THR A 35 3.356 39.047 -6.210 1.00 0.00 H new ATOM 0 HA THR A 35 4.659 38.299 -8.748 1.00 0.00 H new ATOM 0 HB THR A 35 5.619 40.245 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.654 39.525 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.113 40.572 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.385 40.245 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.448 38.960 -5.108 1.00 0.00 H new ATOM 478 N GLN A 36 5.594 36.142 -8.047 1.00 0.00 N ATOM 479 CA GLN A 36 6.043 34.788 -7.686 1.00 0.00 C ATOM 480 C GLN A 36 7.552 34.757 -7.472 1.00 0.00 C ATOM 481 O GLN A 36 8.083 33.829 -6.859 1.00 0.00 O ATOM 482 CB GLN A 36 5.657 33.794 -8.782 1.00 0.00 C ATOM 483 CG GLN A 36 6.300 34.213 -10.103 1.00 0.00 C ATOM 484 CD GLN A 36 5.793 33.324 -11.233 1.00 0.00 C ATOM 485 OE1 GLN A 36 4.617 32.966 -11.262 1.00 0.00 O ATOM 486 NE2 GLN A 36 6.616 32.948 -12.174 1.00 0.00 N ATOM 0 H GLN A 36 5.685 36.368 -9.037 1.00 0.00 H new ATOM 0 HA GLN A 36 5.553 34.505 -6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.984 32.791 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.573 33.758 -8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.066 35.256 -10.316 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.385 34.138 -10.029 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.591 33.246 -12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.284 32.356 -12.935 1.00 0.00 H new ATOM 495 N ALA A 37 8.240 35.772 -7.984 1.00 0.00 N ATOM 496 CA ALA A 37 9.687 35.850 -7.847 1.00 0.00 C ATOM 497 C ALA A 37 10.071 36.361 -6.463 1.00 0.00 C ATOM 498 O ALA A 37 11.220 36.232 -6.042 1.00 0.00 O ATOM 499 CB ALA A 37 10.263 36.778 -8.917 1.00 0.00 C ATOM 0 H ALA A 37 7.820 36.548 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 37 10.099 34.849 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.346 36.831 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.017 36.391 -9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.837 37.775 -8.801 1.00 0.00 H new ATOM 505 N GLN A 38 9.104 36.945 -5.764 1.00 0.00 N ATOM 506 CA GLN A 38 9.355 37.475 -4.430 1.00 0.00 C ATOM 507 C GLN A 38 9.711 36.352 -3.462 1.00 0.00 C ATOM 508 O GLN A 38 10.740 36.400 -2.791 1.00 0.00 O ATOM 509 CB GLN A 38 8.116 38.211 -3.920 1.00 0.00 C ATOM 510 CG GLN A 38 8.404 38.809 -2.542 1.00 0.00 C ATOM 511 CD GLN A 38 7.250 39.704 -2.109 1.00 0.00 C ATOM 512 OE1 GLN A 38 6.455 40.142 -2.943 1.00 0.00 O ATOM 513 NE2 GLN A 38 7.105 40.004 -0.847 1.00 0.00 N ATOM 0 H GLN A 38 8.147 37.063 -6.096 1.00 0.00 H new ATOM 0 HA GLN A 38 10.194 38.168 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.836 39.000 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.272 37.524 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.549 38.011 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.329 39.384 -2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.763 39.641 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.333 40.601 -0.550 1.00 0.00 H new ATOM 522 N VAL A 39 8.854 35.339 -3.400 1.00 0.00 N ATOM 523 CA VAL A 39 9.088 34.205 -2.514 1.00 0.00 C ATOM 524 C VAL A 39 10.296 33.401 -2.980 1.00 0.00 C ATOM 525 O VAL A 39 11.071 32.897 -2.167 1.00 0.00 O ATOM 526 CB VAL A 39 7.852 33.306 -2.478 1.00 0.00 C ATOM 527 CG1 VAL A 39 7.559 32.783 -3.884 1.00 0.00 C ATOM 528 CG2 VAL A 39 8.110 32.125 -1.539 1.00 0.00 C ATOM 0 H VAL A 39 7.996 35.280 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 39 9.287 34.585 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 39 6.997 33.878 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.678 32.142 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.377 33.623 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.413 32.210 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.230 31.483 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.965 31.554 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.319 32.497 -0.536 1.00 0.00 H new ATOM 538 N ASP A 40 10.449 33.284 -4.295 1.00 0.00 N ATOM 539 CA ASP A 40 11.565 32.537 -4.863 1.00 0.00 C ATOM 540 C ASP A 40 12.887 33.218 -4.526 1.00 0.00 C ATOM 541 O ASP A 40 13.944 32.588 -4.545 1.00 0.00 O ATOM 542 CB ASP A 40 11.409 32.439 -6.383 1.00 0.00 C ATOM 543 CG ASP A 40 12.388 31.411 -6.941 1.00 0.00 C ATOM 544 OD1 ASP A 40 13.313 31.054 -6.231 1.00 0.00 O ATOM 545 OD2 ASP A 40 12.198 30.997 -8.073 1.00 0.00 O ATOM 0 H ASP A 40 9.818 33.694 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 40 11.565 31.535 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.387 32.155 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.591 33.412 -6.839 1.00 0.00 H new ATOM 550 N GLU A 41 12.821 34.511 -4.222 1.00 0.00 N ATOM 551 CA GLU A 41 14.022 35.268 -3.887 1.00 0.00 C ATOM 552 C GLU A 41 14.775 34.604 -2.739 1.00 0.00 C ATOM 553 O GLU A 41 15.975 34.816 -2.564 1.00 0.00 O ATOM 554 CB GLU A 41 13.644 36.697 -3.489 1.00 0.00 C ATOM 555 CG GLU A 41 14.914 37.517 -3.260 1.00 0.00 C ATOM 556 CD GLU A 41 14.550 38.969 -2.967 1.00 0.00 C ATOM 557 OE1 GLU A 41 13.411 39.334 -3.209 1.00 0.00 O ATOM 558 OE2 GLU A 41 15.414 39.693 -2.503 1.00 0.00 O ATOM 0 H GLU A 41 11.957 35.052 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 41 14.668 35.291 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.039 37.155 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.038 36.685 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.481 37.100 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.555 37.464 -4.140 1.00 0.00 H new ATOM 565 N VAL A 42 14.063 33.795 -1.962 1.00 0.00 N ATOM 566 CA VAL A 42 14.674 33.101 -0.834 1.00 0.00 C ATOM 567 C VAL A 42 15.771 32.158 -1.318 1.00 0.00 C ATOM 568 O VAL A 42 16.665 31.788 -0.558 1.00 0.00 O ATOM 569 CB VAL A 42 13.613 32.310 -0.069 1.00 0.00 C ATOM 570 CG1 VAL A 42 13.102 31.156 -0.938 1.00 0.00 C ATOM 571 CG2 VAL A 42 14.226 31.750 1.221 1.00 0.00 C ATOM 0 H VAL A 42 13.069 33.604 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 42 15.117 33.843 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 42 12.780 32.968 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.346 30.594 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.664 31.556 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.932 30.496 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.471 31.186 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.060 31.094 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.584 32.572 1.841 1.00 0.00 H new ATOM 581 N VAL A 43 15.691 31.764 -2.584 1.00 0.00 N ATOM 582 CA VAL A 43 16.681 30.854 -3.152 1.00 0.00 C ATOM 583 C VAL A 43 18.077 31.453 -3.051 1.00 0.00 C ATOM 584 O VAL A 43 19.031 30.778 -2.669 1.00 0.00 O ATOM 585 CB VAL A 43 16.350 30.584 -4.622 1.00 0.00 C ATOM 586 CG1 VAL A 43 16.628 31.831 -5.467 1.00 0.00 C ATOM 587 CG2 VAL A 43 17.201 29.417 -5.131 1.00 0.00 C ATOM 0 H VAL A 43 14.959 32.056 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 43 16.656 29.920 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 43 15.293 30.331 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.388 31.625 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.013 32.657 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.681 32.100 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.966 29.224 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 43 18.257 29.669 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.987 28.526 -4.541 1.00 0.00 H new ATOM 597 N ASP A 44 18.184 32.726 -3.399 1.00 0.00 N ATOM 598 CA ASP A 44 19.473 33.416 -3.351 1.00 0.00 C ATOM 599 C ASP A 44 20.056 33.351 -1.942 1.00 0.00 C ATOM 600 O ASP A 44 21.241 33.064 -1.763 1.00 0.00 O ATOM 601 CB ASP A 44 19.303 34.883 -3.758 1.00 0.00 C ATOM 602 CG ASP A 44 19.040 34.987 -5.254 1.00 0.00 C ATOM 603 OD1 ASP A 44 19.265 34.005 -5.945 1.00 0.00 O ATOM 604 OD2 ASP A 44 18.620 36.045 -5.692 1.00 0.00 O ATOM 0 H ASP A 44 17.404 33.302 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 44 20.152 32.923 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.476 35.328 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.200 35.446 -3.499 1.00 0.00 H new ATOM 609 N ILE A 45 19.217 33.609 -0.947 1.00 0.00 N ATOM 610 CA ILE A 45 19.660 33.571 0.441 1.00 0.00 C ATOM 611 C ILE A 45 20.108 32.160 0.820 1.00 0.00 C ATOM 612 O ILE A 45 21.124 31.982 1.494 1.00 0.00 O ATOM 613 CB ILE A 45 18.522 34.015 1.367 1.00 0.00 C ATOM 614 CG1 ILE A 45 18.234 35.500 1.137 1.00 0.00 C ATOM 615 CG2 ILE A 45 18.932 33.798 2.829 1.00 0.00 C ATOM 616 CD1 ILE A 45 16.931 35.882 1.843 1.00 0.00 C ATOM 0 H ILE A 45 18.233 33.845 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 45 20.504 34.252 0.553 1.00 0.00 H new ATOM 0 HB ILE A 45 17.629 33.429 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 45 19.057 36.104 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.155 35.705 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.121 34.115 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 45 19.142 32.741 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.825 34.384 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.725 36.940 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.111 35.287 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 45 17.027 35.692 2.912 1.00 0.00 H new ATOM 628 N MET A 46 19.341 31.168 0.393 1.00 0.00 N ATOM 629 CA MET A 46 19.664 29.781 0.702 1.00 0.00 C ATOM 630 C MET A 46 21.035 29.412 0.144 1.00 0.00 C ATOM 631 O MET A 46 21.800 28.690 0.783 1.00 0.00 O ATOM 632 CB MET A 46 18.602 28.850 0.108 1.00 0.00 C ATOM 633 CG MET A 46 18.940 27.392 0.452 1.00 0.00 C ATOM 634 SD MET A 46 20.118 26.747 -0.762 1.00 0.00 S ATOM 635 CE MET A 46 18.904 26.210 -1.992 1.00 0.00 C ATOM 0 H MET A 46 18.496 31.295 -0.165 1.00 0.00 H new ATOM 0 HA MET A 46 19.682 29.666 1.786 1.00 0.00 H new ATOM 0 HB2 MET A 46 17.618 29.108 0.501 1.00 0.00 H new ATOM 0 HB3 MET A 46 18.557 28.977 -0.974 1.00 0.00 H new ATOM 0 HG2 MET A 46 19.364 27.332 1.454 1.00 0.00 H new ATOM 0 HG3 MET A 46 18.033 26.787 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 46 19.421 25.771 -2.846 1.00 0.00 H new ATOM 0 HE2 MET A 46 18.241 25.467 -1.549 1.00 0.00 H new ATOM 0 HE3 MET A 46 18.318 27.067 -2.324 1.00 0.00 H new ATOM 645 N ARG A 47 21.338 29.913 -1.047 1.00 0.00 N ATOM 646 CA ARG A 47 22.623 29.629 -1.680 1.00 0.00 C ATOM 647 C ARG A 47 23.769 30.176 -0.833 1.00 0.00 C ATOM 648 O ARG A 47 24.813 29.539 -0.700 1.00 0.00 O ATOM 649 CB ARG A 47 22.667 30.261 -3.072 1.00 0.00 C ATOM 650 CG ARG A 47 21.734 29.495 -4.011 1.00 0.00 C ATOM 651 CD ARG A 47 21.668 30.208 -5.362 1.00 0.00 C ATOM 652 NE ARG A 47 22.977 30.190 -6.007 1.00 0.00 N ATOM 653 CZ ARG A 47 23.365 29.157 -6.749 1.00 0.00 C ATOM 654 NH1 ARG A 47 22.571 28.134 -6.908 1.00 0.00 N ATOM 655 NH2 ARG A 47 24.540 29.166 -7.319 1.00 0.00 N ATOM 0 H ARG A 47 20.719 30.513 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 47 22.735 28.548 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 47 22.366 31.307 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 47 23.686 30.242 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 47 22.093 28.475 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 47 20.737 29.428 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 47 20.932 29.721 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 47 21.338 31.237 -5.222 1.00 0.00 H new ATOM 0 HE ARG A 47 23.606 30.984 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 47 21.653 28.127 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 47 22.868 27.341 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 47 25.161 29.966 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 47 24.837 28.373 -7.888 1.00 0.00 H new ATOM 669 N VAL A 48 23.567 31.357 -0.261 1.00 0.00 N ATOM 670 CA VAL A 48 24.590 31.973 0.569 1.00 0.00 C ATOM 671 C VAL A 48 24.894 31.103 1.782 1.00 0.00 C ATOM 672 O VAL A 48 26.055 30.896 2.133 1.00 0.00 O ATOM 673 CB VAL A 48 24.122 33.360 1.030 1.00 0.00 C ATOM 674 CG1 VAL A 48 25.130 33.941 2.026 1.00 0.00 C ATOM 675 CG2 VAL A 48 24.009 34.291 -0.179 1.00 0.00 C ATOM 0 H VAL A 48 22.710 31.902 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 48 25.500 32.075 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 48 23.149 33.268 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 48 24.794 34.926 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 48 25.209 33.281 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 48 26.105 34.030 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 48 23.677 35.276 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 48 24.982 34.379 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 48 23.288 33.882 -0.887 1.00 0.00 H new ATOM 685 N ASN A 49 23.844 30.596 2.420 1.00 0.00 N ATOM 686 CA ASN A 49 24.013 29.751 3.596 1.00 0.00 C ATOM 687 C ASN A 49 24.826 28.512 3.234 1.00 0.00 C ATOM 688 O ASN A 49 25.687 28.079 3.998 1.00 0.00 O ATOM 689 CB ASN A 49 22.646 29.335 4.140 1.00 0.00 C ATOM 690 CG ASN A 49 22.822 28.469 5.384 1.00 0.00 C ATOM 691 OD1 ASN A 49 23.897 27.914 5.610 1.00 0.00 O ATOM 692 ND2 ASN A 49 21.824 28.324 6.210 1.00 0.00 N ATOM 0 H ASN A 49 22.875 30.754 2.145 1.00 0.00 H new ATOM 0 HA ASN A 49 24.545 30.314 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 49 22.057 30.220 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 49 22.094 28.784 3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 49 21.933 27.750 7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 49 20.934 28.785 6.021 1.00 0.00 H new ATOM 699 N VAL A 50 24.553 27.953 2.062 1.00 0.00 N ATOM 700 CA VAL A 50 25.269 26.770 1.603 1.00 0.00 C ATOM 701 C VAL A 50 26.744 27.081 1.394 1.00 0.00 C ATOM 702 O VAL A 50 27.615 26.281 1.734 1.00 0.00 O ATOM 703 CB VAL A 50 24.655 26.251 0.301 1.00 0.00 C ATOM 704 CG1 VAL A 50 25.500 25.094 -0.242 1.00 0.00 C ATOM 705 CG2 VAL A 50 23.231 25.756 0.568 1.00 0.00 C ATOM 0 H VAL A 50 23.844 28.298 1.415 1.00 0.00 H new ATOM 0 HA VAL A 50 25.182 25.999 2.369 1.00 0.00 H new ATOM 0 HB VAL A 50 24.630 27.058 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 50 25.060 24.726 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 50 26.514 25.443 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 50 25.527 24.288 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.794 25.387 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.257 24.951 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 50 22.626 26.578 0.952 1.00 0.00 H new ATOM 715 N ASP A 51 27.009 28.239 0.824 1.00 0.00 N ATOM 716 CA ASP A 51 28.384 28.655 0.556 1.00 0.00 C ATOM 717 C ASP A 51 29.180 28.745 1.856 1.00 0.00 C ATOM 718 O ASP A 51 30.357 28.387 1.898 1.00 0.00 O ATOM 719 CB ASP A 51 28.398 30.015 -0.147 1.00 0.00 C ATOM 720 CG ASP A 51 27.927 29.865 -1.590 1.00 0.00 C ATOM 721 OD1 ASP A 51 27.774 28.736 -2.028 1.00 0.00 O ATOM 722 OD2 ASP A 51 27.730 30.881 -2.238 1.00 0.00 O ATOM 0 H ASP A 51 26.298 28.911 0.536 1.00 0.00 H new ATOM 0 HA ASP A 51 28.846 27.910 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.752 30.714 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 51 29.404 30.433 -0.127 1.00 0.00 H new ATOM 727 N LYS A 52 28.530 29.223 2.914 1.00 0.00 N ATOM 728 CA LYS A 52 29.184 29.352 4.205 1.00 0.00 C ATOM 729 C LYS A 52 29.523 27.980 4.769 1.00 0.00 C ATOM 730 O LYS A 52 30.592 27.779 5.346 1.00 0.00 O ATOM 731 CB LYS A 52 28.273 30.106 5.176 1.00 0.00 C ATOM 732 CG LYS A 52 29.017 30.347 6.490 1.00 0.00 C ATOM 733 CD LYS A 52 28.136 31.169 7.431 1.00 0.00 C ATOM 734 CE LYS A 52 28.886 31.429 8.739 1.00 0.00 C ATOM 735 NZ LYS A 52 28.037 32.252 9.645 1.00 0.00 N ATOM 0 H LYS A 52 27.556 29.525 2.899 1.00 0.00 H new ATOM 0 HA LYS A 52 30.110 29.912 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.966 31.057 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.365 29.532 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 52 29.274 29.395 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 52 29.953 30.872 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.867 32.114 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.206 30.637 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 52 29.139 30.484 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 52 29.825 31.944 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.547 32.428 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.817 33.159 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.153 31.744 9.849 1.00 0.00 H new ATOM 749 N VAL A 53 28.600 27.038 4.609 1.00 0.00 N ATOM 750 CA VAL A 53 28.809 25.691 5.112 1.00 0.00 C ATOM 751 C VAL A 53 29.925 24.999 4.342 1.00 0.00 C ATOM 752 O VAL A 53 30.782 24.332 4.925 1.00 0.00 O ATOM 753 CB VAL A 53 27.518 24.876 4.995 1.00 0.00 C ATOM 754 CG1 VAL A 53 27.764 23.444 5.475 1.00 0.00 C ATOM 755 CG2 VAL A 53 26.434 25.524 5.857 1.00 0.00 C ATOM 0 H VAL A 53 27.707 27.183 4.138 1.00 0.00 H new ATOM 0 HA VAL A 53 29.096 25.759 6.161 1.00 0.00 H new ATOM 0 HB VAL A 53 27.196 24.854 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 53 26.842 22.868 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 53 28.538 22.983 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 53 28.087 23.460 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 53 25.513 24.947 5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 53 26.760 25.545 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 53 26.256 26.543 5.512 1.00 0.00 H new ATOM 765 N LEU A 54 29.903 25.155 3.023 1.00 0.00 N ATOM 766 CA LEU A 54 30.911 24.537 2.176 1.00 0.00 C ATOM 767 C LEU A 54 32.199 25.353 2.182 1.00 0.00 C ATOM 768 O LEU A 54 32.974 25.313 1.226 1.00 0.00 O ATOM 769 CB LEU A 54 30.387 24.417 0.738 1.00 0.00 C ATOM 770 CG LEU A 54 31.156 23.307 -0.011 1.00 0.00 C ATOM 771 CD1 LEU A 54 30.489 21.948 0.243 1.00 0.00 C ATOM 772 CD2 LEU A 54 31.154 23.600 -1.513 1.00 0.00 C ATOM 0 H LEU A 54 29.202 25.701 2.522 1.00 0.00 H new ATOM 0 HA LEU A 54 31.125 23.544 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 54 29.321 24.190 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.505 25.368 0.218 1.00 0.00 H new ATOM 0 HG LEU A 54 32.183 23.280 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 54 31.036 21.169 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 54 30.497 21.733 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 54 29.459 21.976 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 54 31.698 22.814 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.127 23.635 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 54 31.636 24.560 -1.697 1.00 0.00 H new ATOM 784 N GLU A 55 32.417 26.089 3.260 1.00 0.00 N ATOM 785 CA GLU A 55 33.613 26.911 3.383 1.00 0.00 C ATOM 786 C GLU A 55 34.858 26.037 3.458 1.00 0.00 C ATOM 787 O GLU A 55 35.927 26.423 2.987 1.00 0.00 O ATOM 788 CB GLU A 55 33.519 27.787 4.631 1.00 0.00 C ATOM 789 CG GLU A 55 33.334 26.898 5.864 1.00 0.00 C ATOM 790 CD GLU A 55 33.194 27.761 7.113 1.00 0.00 C ATOM 791 OE1 GLU A 55 32.489 28.754 7.048 1.00 0.00 O ATOM 792 OE2 GLU A 55 33.796 27.415 8.116 1.00 0.00 O ATOM 0 H GLU A 55 31.786 26.135 4.060 1.00 0.00 H new ATOM 0 HA GLU A 55 33.687 27.548 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 55 34.422 28.389 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 55 32.683 28.480 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 55 32.449 26.273 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.186 26.227 5.970 1.00 0.00 H new ATOM 799 N ARG A 56 34.710 24.857 4.054 1.00 0.00 N ATOM 800 CA ARG A 56 35.827 23.929 4.186 1.00 0.00 C ATOM 801 C ARG A 56 36.939 24.551 5.028 1.00 0.00 C ATOM 802 O ARG A 56 38.081 24.660 4.586 1.00 0.00 O ATOM 803 CB ARG A 56 36.377 23.569 2.803 1.00 0.00 C ATOM 804 CG ARG A 56 37.280 22.339 2.914 1.00 0.00 C ATOM 805 CD ARG A 56 37.818 21.974 1.532 1.00 0.00 C ATOM 806 NE ARG A 56 38.686 23.037 1.035 1.00 0.00 N ATOM 807 CZ ARG A 56 39.972 23.088 1.369 1.00 0.00 C ATOM 808 NH1 ARG A 56 40.478 22.181 2.158 1.00 0.00 N ATOM 809 NH2 ARG A 56 40.728 24.048 0.910 1.00 0.00 N ATOM 0 H ARG A 56 33.832 24.523 4.451 1.00 0.00 H new ATOM 0 HA ARG A 56 35.468 23.026 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 56 35.556 23.369 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 56 36.938 24.409 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 56 38.106 22.542 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 56 36.721 21.501 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 56 38.372 21.037 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 56 36.990 21.817 0.841 1.00 0.00 H new ATOM 0 HE ARG A 56 38.299 23.753 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 56 39.887 21.432 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 56 41.465 22.221 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 56 40.332 24.759 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 56 41.715 24.087 1.166 1.00 0.00 H new ATOM 823 N ASP A 57 36.595 24.962 6.245 1.00 0.00 N ATOM 824 CA ASP A 57 37.574 25.573 7.142 1.00 0.00 C ATOM 825 C ASP A 57 38.323 24.502 7.927 1.00 0.00 C ATOM 826 O ASP A 57 39.240 24.807 8.690 1.00 0.00 O ATOM 827 CB ASP A 57 36.868 26.524 8.109 1.00 0.00 C ATOM 828 CG ASP A 57 37.902 27.337 8.882 1.00 0.00 C ATOM 829 OD1 ASP A 57 39.030 27.413 8.424 1.00 0.00 O ATOM 830 OD2 ASP A 57 37.550 27.870 9.922 1.00 0.00 O ATOM 0 H ASP A 57 35.654 24.885 6.632 1.00 0.00 H new ATOM 0 HA ASP A 57 38.293 26.133 6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 57 36.205 27.191 7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 57 36.246 25.957 8.802 1.00 0.00 H new ATOM 835 N GLN A 58 37.926 23.247 7.739 1.00 0.00 N ATOM 836 CA GLN A 58 38.563 22.140 8.437 1.00 0.00 C ATOM 837 C GLN A 58 39.998 21.955 7.950 1.00 0.00 C ATOM 838 O GLN A 58 40.323 22.281 6.808 1.00 0.00 O ATOM 839 CB GLN A 58 37.773 20.850 8.207 1.00 0.00 C ATOM 840 CG GLN A 58 38.339 19.738 9.093 1.00 0.00 C ATOM 841 CD GLN A 58 37.528 18.461 8.910 1.00 0.00 C ATOM 842 OE1 GLN A 58 36.422 18.498 8.374 1.00 0.00 O ATOM 843 NE2 GLN A 58 38.017 17.325 9.330 1.00 0.00 N ATOM 0 H GLN A 58 37.169 22.974 7.112 1.00 0.00 H new ATOM 0 HA GLN A 58 38.579 22.369 9.503 1.00 0.00 H new ATOM 0 HB2 GLN A 58 36.720 21.011 8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 58 37.830 20.558 7.158 1.00 0.00 H new ATOM 0 HG2 GLN A 58 39.383 19.555 8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 58 38.315 20.047 10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 58 38.935 17.298 9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 58 37.481 16.465 9.214 1.00 0.00 H new ATOM 852 N LYS A 59 40.852 21.435 8.823 1.00 0.00 N ATOM 853 CA LYS A 59 42.252 21.213 8.475 1.00 0.00 C ATOM 854 C LYS A 59 42.372 20.202 7.340 1.00 0.00 C ATOM 855 O LYS A 59 43.177 20.371 6.426 1.00 0.00 O ATOM 856 CB LYS A 59 43.020 20.701 9.694 1.00 0.00 C ATOM 857 CG LYS A 59 43.097 21.806 10.749 1.00 0.00 C ATOM 858 CD LYS A 59 43.826 21.281 11.988 1.00 0.00 C ATOM 859 CE LYS A 59 43.852 22.367 13.063 1.00 0.00 C ATOM 860 NZ LYS A 59 44.716 23.494 12.610 1.00 0.00 N ATOM 0 H LYS A 59 40.602 21.160 9.773 1.00 0.00 H new ATOM 0 HA LYS A 59 42.676 22.162 8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 59 42.524 19.823 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 59 44.024 20.392 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 43.621 22.672 10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 59 42.094 22.137 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 59 43.325 20.391 12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 59 44.843 20.988 11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 59 42.841 22.725 13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 59 44.231 21.958 13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 44.969 24.087 13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 45.581 23.115 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 44.201 24.068 11.912 1.00 0.00 H new ATOM 874 N LEU A 60 41.564 19.152 7.405 1.00 0.00 N ATOM 875 CA LEU A 60 41.583 18.119 6.378 1.00 0.00 C ATOM 876 C LEU A 60 42.834 17.252 6.513 1.00 0.00 C ATOM 877 O LEU A 60 43.292 16.649 5.544 1.00 0.00 O ATOM 878 CB LEU A 60 41.534 18.771 4.974 1.00 0.00 C ATOM 879 CG LEU A 60 40.600 17.981 4.052 1.00 0.00 C ATOM 880 CD1 LEU A 60 40.466 18.708 2.720 1.00 0.00 C ATOM 881 CD2 LEU A 60 41.181 16.583 3.819 1.00 0.00 C ATOM 0 H LEU A 60 40.890 18.993 8.154 1.00 0.00 H new ATOM 0 HA LEU A 60 40.707 17.483 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 41.188 19.801 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.536 18.804 4.546 1.00 0.00 H new ATOM 0 HG LEU A 60 39.617 17.893 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 60 39.801 18.146 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 60 40.054 19.703 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.447 18.796 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 60 40.518 16.018 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 60 42.163 16.670 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 60 41.275 16.064 4.773 1.00 0.00 H new ATOM 893 N SER A 61 43.381 17.201 7.714 1.00 0.00 N ATOM 894 CA SER A 61 44.575 16.410 7.957 1.00 0.00 C ATOM 895 C SER A 61 44.831 16.287 9.454 1.00 0.00 C ATOM 896 O SER A 61 45.614 17.046 10.022 1.00 0.00 O ATOM 897 CB SER A 61 45.779 17.065 7.280 1.00 0.00 C ATOM 898 OG SER A 61 45.879 18.418 7.706 1.00 0.00 O ATOM 0 H SER A 61 43.021 17.694 8.531 1.00 0.00 H new ATOM 0 HA SER A 61 44.426 15.414 7.541 1.00 0.00 H new ATOM 0 HB2 SER A 61 46.691 16.524 7.532 1.00 0.00 H new ATOM 0 HB3 SER A 61 45.671 17.020 6.196 1.00 0.00 H new ATOM 0 HG SER A 61 45.791 18.461 8.681 1.00 0.00 H new ATOM 904 N GLU A 62 44.168 15.325 10.089 1.00 0.00 N ATOM 905 CA GLU A 62 44.336 15.116 11.517 1.00 0.00 C ATOM 906 C GLU A 62 43.725 13.787 11.936 1.00 0.00 C ATOM 907 O GLU A 62 44.439 12.836 12.244 1.00 0.00 O ATOM 908 CB GLU A 62 43.675 16.254 12.294 1.00 0.00 C ATOM 909 CG GLU A 62 43.967 16.093 13.787 1.00 0.00 C ATOM 910 CD GLU A 62 43.370 17.262 14.564 1.00 0.00 C ATOM 911 OE1 GLU A 62 42.992 18.236 13.934 1.00 0.00 O ATOM 912 OE2 GLU A 62 43.297 17.164 15.778 1.00 0.00 O ATOM 0 H GLU A 62 43.515 14.684 9.638 1.00 0.00 H new ATOM 0 HA GLU A 62 45.403 15.099 11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 62 44.050 17.215 11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 62 42.599 16.249 12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.549 15.154 14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 62 45.043 16.047 13.953 1.00 0.00 H new ATOM 919 N LEU A 63 42.398 13.728 11.950 1.00 0.00 N ATOM 920 CA LEU A 63 41.703 12.512 12.335 1.00 0.00 C ATOM 921 C LEU A 63 41.331 11.695 11.108 1.00 0.00 C ATOM 922 O LEU A 63 40.628 12.179 10.223 1.00 0.00 O ATOM 923 CB LEU A 63 40.440 12.868 13.117 1.00 0.00 C ATOM 924 CG LEU A 63 39.750 11.566 13.627 1.00 0.00 C ATOM 925 CD1 LEU A 63 39.266 11.762 15.066 1.00 0.00 C ATOM 926 CD2 LEU A 63 38.548 11.227 12.732 1.00 0.00 C ATOM 0 H LEU A 63 41.787 14.506 11.700 1.00 0.00 H new ATOM 0 HA LEU A 63 42.366 11.916 12.962 1.00 0.00 H new ATOM 0 HB2 LEU A 63 40.692 13.511 13.960 1.00 0.00 H new ATOM 0 HB3 LEU A 63 39.754 13.429 12.482 1.00 0.00 H new ATOM 0 HG LEU A 63 40.471 10.750 13.594 1.00 0.00 H new ATOM 0 HD11 LEU A 63 38.785 10.849 15.416 1.00 0.00 H new ATOM 0 HD12 LEU A 63 40.116 11.993 15.708 1.00 0.00 H new ATOM 0 HD13 LEU A 63 38.551 12.584 15.101 1.00 0.00 H new ATOM 0 HD21 LEU A 63 38.070 10.316 13.094 1.00 0.00 H new ATOM 0 HD22 LEU A 63 37.831 12.048 12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 63 38.888 11.076 11.708 1.00 0.00 H new ATOM 938 N ASP A 64 41.801 10.451 11.065 1.00 0.00 N ATOM 939 CA ASP A 64 41.513 9.563 9.938 1.00 0.00 C ATOM 940 C ASP A 64 41.275 8.138 10.423 1.00 0.00 C ATOM 941 O ASP A 64 41.867 7.699 11.408 1.00 0.00 O ATOM 942 CB ASP A 64 42.685 9.584 8.955 1.00 0.00 C ATOM 943 CG ASP A 64 42.721 10.915 8.211 1.00 0.00 C ATOM 944 OD1 ASP A 64 41.714 11.605 8.216 1.00 0.00 O ATOM 945 OD2 ASP A 64 43.755 11.224 7.642 1.00 0.00 O ATOM 0 H ASP A 64 42.381 10.035 11.794 1.00 0.00 H new ATOM 0 HA ASP A 64 40.610 9.915 9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 64 43.622 9.433 9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 64 42.588 8.764 8.244 1.00 0.00 H new ATOM 950 N ASP A 65 40.400 7.421 9.723 1.00 0.00 N ATOM 951 CA ASP A 65 40.086 6.045 10.088 1.00 0.00 C ATOM 952 C ASP A 65 41.129 5.087 9.514 1.00 0.00 C ATOM 953 O ASP A 65 42.302 5.137 9.886 1.00 0.00 O ATOM 954 CB ASP A 65 38.699 5.671 9.560 1.00 0.00 C ATOM 955 CG ASP A 65 37.623 6.402 10.354 1.00 0.00 C ATOM 956 OD1 ASP A 65 37.944 6.923 11.409 1.00 0.00 O ATOM 957 OD2 ASP A 65 36.493 6.431 9.896 1.00 0.00 O ATOM 0 H ASP A 65 39.899 7.768 8.905 1.00 0.00 H new ATOM 0 HA ASP A 65 40.095 5.964 11.175 1.00 0.00 H new ATOM 0 HB2 ASP A 65 38.621 5.929 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 65 38.550 4.594 9.637 1.00 0.00 H new ATOM 962 N ARG A 66 40.694 4.218 8.608 1.00 0.00 N ATOM 963 CA ARG A 66 41.597 3.255 7.991 1.00 0.00 C ATOM 964 C ARG A 66 42.652 3.970 7.153 1.00 0.00 C ATOM 965 O ARG A 66 43.818 3.579 7.142 1.00 0.00 O ATOM 966 CB ARG A 66 40.805 2.292 7.104 1.00 0.00 C ATOM 967 CG ARG A 66 39.958 1.369 7.982 1.00 0.00 C ATOM 968 CD ARG A 66 39.183 0.390 7.096 1.00 0.00 C ATOM 969 NE ARG A 66 38.184 1.103 6.307 1.00 0.00 N ATOM 970 CZ ARG A 66 36.995 1.408 6.818 1.00 0.00 C ATOM 971 NH1 ARG A 66 36.706 1.068 8.044 1.00 0.00 N ATOM 972 NH2 ARG A 66 36.118 2.045 6.093 1.00 0.00 N ATOM 0 H ARG A 66 39.728 4.161 8.286 1.00 0.00 H new ATOM 0 HA ARG A 66 42.096 2.695 8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 66 40.164 2.852 6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 66 41.486 1.703 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 66 40.597 0.821 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 66 39.266 1.957 8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 66 39.872 -0.136 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 66 38.697 -0.364 7.715 1.00 0.00 H new ATOM 0 HE ARG A 66 38.401 1.372 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 66 37.392 0.569 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 66 35.794 1.302 8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 66 36.344 2.309 5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 66 35.206 2.279 6.485 1.00 0.00 H new ATOM 986 N ALA A 67 42.233 5.021 6.455 1.00 0.00 N ATOM 987 CA ALA A 67 43.151 5.785 5.617 1.00 0.00 C ATOM 988 C ALA A 67 44.196 6.489 6.475 1.00 0.00 C ATOM 989 O ALA A 67 43.903 6.943 7.580 1.00 0.00 O ATOM 990 CB ALA A 67 42.376 6.818 4.799 1.00 0.00 C ATOM 0 H ALA A 67 41.271 5.361 6.452 1.00 0.00 H new ATOM 0 HA ALA A 67 43.657 5.096 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 67 43.069 7.384 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 67 41.650 6.309 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 67 41.855 7.499 5.472 1.00 0.00 H new ATOM 996 N ASP A 68 45.419 6.577 5.958 1.00 0.00 N ATOM 997 CA ASP A 68 46.499 7.227 6.683 1.00 0.00 C ATOM 998 C ASP A 68 47.725 7.387 5.789 1.00 0.00 C ATOM 999 O ASP A 68 48.860 7.276 6.252 1.00 0.00 O ATOM 1000 CB ASP A 68 46.868 6.408 7.921 1.00 0.00 C ATOM 1001 CG ASP A 68 47.351 5.023 7.502 1.00 0.00 C ATOM 1002 OD1 ASP A 68 47.573 4.826 6.319 1.00 0.00 O ATOM 1003 OD2 ASP A 68 47.489 4.179 8.372 1.00 0.00 O ATOM 0 H ASP A 68 45.683 6.208 5.045 1.00 0.00 H new ATOM 0 HA ASP A 68 46.159 8.215 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 68 47.647 6.919 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 68 46.004 6.318 8.579 1.00 0.00 H new ATOM 1008 N ALA A 69 47.489 7.648 4.509 1.00 0.00 N ATOM 1009 CA ALA A 69 48.583 7.819 3.559 1.00 0.00 C ATOM 1010 C ALA A 69 48.101 8.569 2.320 1.00 0.00 C ATOM 1011 O ALA A 69 48.218 9.791 2.239 1.00 0.00 O ATOM 1012 CB ALA A 69 49.136 6.451 3.149 1.00 0.00 C ATOM 0 H ALA A 69 46.557 7.745 4.106 1.00 0.00 H new ATOM 0 HA ALA A 69 49.371 8.400 4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 69 49.952 6.586 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 69 49.505 5.928 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 69 48.345 5.863 2.684 1.00 0.00 H new ATOM 1018 N LEU A 70 47.562 7.829 1.358 1.00 0.00 N ATOM 1019 CA LEU A 70 47.068 8.435 0.126 1.00 0.00 C ATOM 1020 C LEU A 70 45.753 9.164 0.379 1.00 0.00 C ATOM 1021 O LEU A 70 44.934 8.722 1.183 1.00 0.00 O ATOM 1022 CB LEU A 70 46.855 7.352 -0.934 1.00 0.00 C ATOM 1023 CG LEU A 70 48.153 6.556 -1.122 1.00 0.00 C ATOM 1024 CD1 LEU A 70 47.916 5.429 -2.132 1.00 0.00 C ATOM 1025 CD2 LEU A 70 49.269 7.484 -1.635 1.00 0.00 C ATOM 0 H LEU A 70 47.456 6.816 1.406 1.00 0.00 H new ATOM 0 HA LEU A 70 47.807 9.154 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 70 46.048 6.685 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 70 46.555 7.807 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 70 48.456 6.132 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 70 48.837 4.862 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 70 47.133 4.767 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 70 47.609 5.855 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 70 50.187 6.911 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 70 48.972 7.917 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 70 49.439 8.282 -0.913 1.00 0.00 H new ATOM 1037 N GLN A 71 45.562 10.284 -0.310 1.00 0.00 N ATOM 1038 CA GLN A 71 44.351 11.068 -0.153 1.00 0.00 C ATOM 1039 C GLN A 71 43.134 10.267 -0.601 1.00 0.00 C ATOM 1040 O GLN A 71 42.070 10.349 0.010 1.00 0.00 O ATOM 1041 CB GLN A 71 44.445 12.355 -0.974 1.00 0.00 C ATOM 1042 CG GLN A 71 45.531 13.257 -0.385 1.00 0.00 C ATOM 1043 CD GLN A 71 45.652 14.534 -1.207 1.00 0.00 C ATOM 1044 OE1 GLN A 71 44.909 15.491 -0.984 1.00 0.00 O ATOM 1045 NE2 GLN A 71 46.552 14.611 -2.150 1.00 0.00 N ATOM 0 H GLN A 71 46.230 10.665 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 71 44.241 11.320 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 71 44.676 12.120 -2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 71 43.486 12.873 -0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.290 13.502 0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 71 46.485 12.731 -0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.167 13.818 -2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 71 46.640 15.464 -2.702 1.00 0.00 H new ATOM 1054 N ALA A 72 43.301 9.497 -1.671 1.00 0.00 N ATOM 1055 CA ALA A 72 42.209 8.683 -2.195 1.00 0.00 C ATOM 1056 C ALA A 72 41.099 9.569 -2.752 1.00 0.00 C ATOM 1057 O ALA A 72 39.923 9.213 -2.700 1.00 0.00 O ATOM 1058 CB ALA A 72 41.646 7.785 -1.087 1.00 0.00 C ATOM 0 H ALA A 72 44.176 9.419 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 72 42.599 8.061 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 72 40.831 7.181 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 72 42.434 7.131 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 72 41.272 8.404 -0.272 1.00 0.00 H new ATOM 1064 N GLY A 73 41.481 10.723 -3.286 1.00 0.00 N ATOM 1065 CA GLY A 73 40.508 11.650 -3.848 1.00 0.00 C ATOM 1066 C GLY A 73 39.622 12.242 -2.757 1.00 0.00 C ATOM 1067 O GLY A 73 38.446 12.525 -2.983 1.00 0.00 O ATOM 0 H GLY A 73 42.450 11.037 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 73 41.026 12.451 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 73 39.890 11.133 -4.582 1.00 0.00 H new ATOM 1071 N ALA A 74 40.195 12.424 -1.573 1.00 0.00 N ATOM 1072 CA ALA A 74 39.447 12.983 -0.452 1.00 0.00 C ATOM 1073 C ALA A 74 38.132 12.232 -0.258 1.00 0.00 C ATOM 1074 O ALA A 74 38.055 11.027 -0.499 1.00 0.00 O ATOM 1075 CB ALA A 74 39.159 14.465 -0.702 1.00 0.00 C ATOM 0 H ALA A 74 41.167 12.195 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 74 40.049 12.878 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 74 38.600 14.874 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 74 40.100 15.005 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 74 38.572 14.573 -1.614 1.00 0.00 H new ATOM 1081 N SER A 75 37.101 12.951 0.175 1.00 0.00 N ATOM 1082 CA SER A 75 35.799 12.343 0.396 1.00 0.00 C ATOM 1083 C SER A 75 35.164 11.943 -0.933 1.00 0.00 C ATOM 1084 O SER A 75 35.269 12.667 -1.922 1.00 0.00 O ATOM 1085 CB SER A 75 34.881 13.325 1.129 1.00 0.00 C ATOM 1086 OG SER A 75 35.260 13.387 2.497 1.00 0.00 O ATOM 0 H SER A 75 37.144 13.950 0.378 1.00 0.00 H new ATOM 0 HA SER A 75 35.934 11.449 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 75 34.950 14.314 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 75 33.843 13.005 1.041 1.00 0.00 H new ATOM 0 HG SER A 75 34.676 14.016 2.970 1.00 0.00 H new ATOM 1092 N GLN A 76 34.502 10.790 -0.946 1.00 0.00 N ATOM 1093 CA GLN A 76 33.847 10.304 -2.158 1.00 0.00 C ATOM 1094 C GLN A 76 32.427 10.850 -2.258 1.00 0.00 C ATOM 1095 O GLN A 76 31.760 10.689 -3.280 1.00 0.00 O ATOM 1096 CB GLN A 76 33.810 8.776 -2.157 1.00 0.00 C ATOM 1097 CG GLN A 76 35.230 8.232 -2.330 1.00 0.00 C ATOM 1098 CD GLN A 76 35.205 6.708 -2.341 1.00 0.00 C ATOM 1099 OE1 GLN A 76 34.984 6.098 -3.388 1.00 0.00 O ATOM 1100 NE2 GLN A 76 35.420 6.050 -1.235 1.00 0.00 N ATOM 0 H GLN A 76 34.405 10.177 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 76 34.418 10.652 -3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 76 33.381 8.412 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 76 33.170 8.416 -2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 76 35.660 8.604 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 76 35.866 8.588 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 76 35.603 6.556 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 76 35.405 5.030 -1.237 1.00 0.00 H new ATOM 1109 N PHE A 77 31.969 11.495 -1.189 1.00 0.00 N ATOM 1110 CA PHE A 77 30.626 12.062 -1.168 1.00 0.00 C ATOM 1111 C PHE A 77 30.499 13.177 -2.202 1.00 0.00 C ATOM 1112 O PHE A 77 29.468 13.306 -2.865 1.00 0.00 O ATOM 1113 CB PHE A 77 30.311 12.613 0.224 1.00 0.00 C ATOM 1114 CG PHE A 77 30.151 11.467 1.194 1.00 0.00 C ATOM 1115 CD1 PHE A 77 28.902 10.859 1.358 1.00 0.00 C ATOM 1116 CD2 PHE A 77 31.252 11.014 1.929 1.00 0.00 C ATOM 1117 CE1 PHE A 77 28.752 9.796 2.258 1.00 0.00 C ATOM 1118 CE2 PHE A 77 31.103 9.951 2.829 1.00 0.00 C ATOM 1119 CZ PHE A 77 29.854 9.344 2.993 1.00 0.00 C ATOM 0 H PHE A 77 32.504 11.637 -0.332 1.00 0.00 H new ATOM 0 HA PHE A 77 29.915 11.273 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 77 31.112 13.275 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 77 29.398 13.208 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 77 28.053 11.209 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 77 32.216 11.484 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 77 27.788 9.326 2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 77 31.953 9.600 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 77 29.740 8.525 3.688 1.00 0.00 H new ATOM 1129 N GLU A 78 31.547 13.980 -2.330 1.00 0.00 N ATOM 1130 CA GLU A 78 31.536 15.084 -3.284 1.00 0.00 C ATOM 1131 C GLU A 78 31.462 14.556 -4.714 1.00 0.00 C ATOM 1132 O GLU A 78 30.724 15.084 -5.543 1.00 0.00 O ATOM 1133 CB GLU A 78 32.802 15.928 -3.117 1.00 0.00 C ATOM 1134 CG GLU A 78 32.726 17.156 -4.029 1.00 0.00 C ATOM 1135 CD GLU A 78 33.981 18.004 -3.867 1.00 0.00 C ATOM 1136 OE1 GLU A 78 34.999 17.633 -4.428 1.00 0.00 O ATOM 1137 OE2 GLU A 78 33.906 19.013 -3.186 1.00 0.00 O ATOM 0 H GLU A 78 32.409 13.890 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 78 30.658 15.700 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 78 32.908 16.240 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 78 33.682 15.334 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 78 32.621 16.842 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.844 17.747 -3.784 1.00 0.00 H new ATOM 1144 N THR A 79 32.233 13.509 -4.994 1.00 0.00 N ATOM 1145 CA THR A 79 32.246 12.919 -6.328 1.00 0.00 C ATOM 1146 C THR A 79 30.944 12.172 -6.602 1.00 0.00 C ATOM 1147 O THR A 79 30.465 12.133 -7.734 1.00 0.00 O ATOM 1148 CB THR A 79 33.429 11.959 -6.465 1.00 0.00 C ATOM 1149 OG1 THR A 79 33.348 10.963 -5.458 1.00 0.00 O ATOM 1150 CG2 THR A 79 34.738 12.738 -6.311 1.00 0.00 C ATOM 0 H THR A 79 32.851 13.055 -4.322 1.00 0.00 H new ATOM 0 HA THR A 79 32.346 13.724 -7.057 1.00 0.00 H new ATOM 0 HB THR A 79 33.402 11.485 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 79 32.678 11.225 -4.792 1.00 0.00 H new ATOM 0 HG21 THR A 79 35.582 12.055 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 79 34.799 13.503 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 79 34.766 13.212 -5.330 1.00 0.00 H new ATOM 1158 N SER A 80 30.380 11.576 -5.556 1.00 0.00 N ATOM 1159 CA SER A 80 29.136 10.828 -5.694 1.00 0.00 C ATOM 1160 C SER A 80 28.003 11.752 -6.126 1.00 0.00 C ATOM 1161 O SER A 80 27.061 11.325 -6.793 1.00 0.00 O ATOM 1162 CB SER A 80 28.774 10.161 -4.365 1.00 0.00 C ATOM 1163 OG SER A 80 28.623 11.159 -3.365 1.00 0.00 O ATOM 0 H SER A 80 30.761 11.596 -4.610 1.00 0.00 H new ATOM 0 HA SER A 80 29.278 10.062 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.850 9.592 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 80 29.552 9.455 -4.076 1.00 0.00 H new ATOM 0 HG SER A 80 28.973 12.012 -3.698 1.00 0.00 H new ATOM 1169 N ALA A 81 28.099 13.021 -5.739 1.00 0.00 N ATOM 1170 CA ALA A 81 27.074 13.996 -6.093 1.00 0.00 C ATOM 1171 C ALA A 81 26.992 14.159 -7.607 1.00 0.00 C ATOM 1172 O ALA A 81 25.902 14.259 -8.170 1.00 0.00 O ATOM 1173 CB ALA A 81 27.395 15.346 -5.452 1.00 0.00 C ATOM 0 H ALA A 81 28.869 13.395 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 81 26.114 13.637 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 81 26.625 16.069 -5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 81 27.426 15.236 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 81 28.363 15.697 -5.809 1.00 0.00 H new ATOM 1179 N ALA A 82 28.147 14.187 -8.262 1.00 0.00 N ATOM 1180 CA ALA A 82 28.188 14.341 -9.713 1.00 0.00 C ATOM 1181 C ALA A 82 27.425 13.209 -10.394 1.00 0.00 C ATOM 1182 O ALA A 82 26.602 13.445 -11.279 1.00 0.00 O ATOM 1183 CB ALA A 82 29.640 14.345 -10.195 1.00 0.00 C ATOM 0 H ALA A 82 29.061 14.106 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 82 27.716 15.288 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 82 29.663 14.460 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 82 30.175 15.173 -9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 82 30.117 13.404 -9.920 1.00 0.00 H new ATOM 1189 N LYS A 83 27.701 11.980 -9.974 1.00 0.00 N ATOM 1190 CA LYS A 83 27.036 10.818 -10.541 1.00 0.00 C ATOM 1191 C LYS A 83 25.550 10.841 -10.213 1.00 0.00 C ATOM 1192 O LYS A 83 24.716 10.452 -11.030 1.00 0.00 O ATOM 1193 CB LYS A 83 27.665 9.538 -10.000 1.00 0.00 C ATOM 1194 CG LYS A 83 29.094 9.411 -10.534 1.00 0.00 C ATOM 1195 CD LYS A 83 29.786 8.213 -9.871 1.00 0.00 C ATOM 1196 CE LYS A 83 29.252 6.904 -10.463 1.00 0.00 C ATOM 1197 NZ LYS A 83 30.154 5.784 -10.085 1.00 0.00 N ATOM 0 H LYS A 83 28.380 11.765 -9.244 1.00 0.00 H new ATOM 0 HA LYS A 83 27.156 10.846 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 83 27.672 9.555 -8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 83 27.074 8.673 -10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 83 29.079 9.282 -11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 83 29.652 10.325 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 83 30.864 8.276 -10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 83 29.613 8.232 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 83 28.243 6.712 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 83 29.188 6.983 -11.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 29.792 4.896 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 31.109 5.967 -10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 30.193 5.705 -9.049 1.00 0.00 H new ATOM 1211 N LEU A 84 25.225 11.287 -9.006 1.00 0.00 N ATOM 1212 CA LEU A 84 23.837 11.342 -8.577 1.00 0.00 C ATOM 1213 C LEU A 84 23.031 12.259 -9.492 1.00 0.00 C ATOM 1214 O LEU A 84 21.905 11.936 -9.872 1.00 0.00 O ATOM 1215 CB LEU A 84 23.753 11.856 -7.132 1.00 0.00 C ATOM 1216 CG LEU A 84 22.282 11.995 -6.704 1.00 0.00 C ATOM 1217 CD1 LEU A 84 21.562 10.644 -6.864 1.00 0.00 C ATOM 1218 CD2 LEU A 84 22.219 12.445 -5.244 1.00 0.00 C ATOM 0 H LEU A 84 25.899 11.613 -8.313 1.00 0.00 H new ATOM 0 HA LEU A 84 23.420 10.336 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 84 24.271 11.169 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 84 24.256 12.820 -7.051 1.00 0.00 H new ATOM 0 HG LEU A 84 21.790 12.736 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 84 20.521 10.748 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.605 10.330 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.049 9.896 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.177 12.544 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 84 22.713 11.706 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 84 22.721 13.406 -5.138 1.00 0.00 H new ATOM 1230 N LYS A 85 23.610 13.400 -9.834 1.00 0.00 N ATOM 1231 CA LYS A 85 22.934 14.358 -10.699 1.00 0.00 C ATOM 1232 C LYS A 85 22.667 13.738 -12.064 1.00 0.00 C ATOM 1233 O LYS A 85 21.603 13.938 -12.651 1.00 0.00 O ATOM 1234 CB LYS A 85 23.792 15.613 -10.861 1.00 0.00 C ATOM 1235 CG LYS A 85 23.813 16.392 -9.544 1.00 0.00 C ATOM 1236 CD LYS A 85 24.707 17.623 -9.692 1.00 0.00 C ATOM 1237 CE LYS A 85 24.728 18.400 -8.375 1.00 0.00 C ATOM 1238 NZ LYS A 85 23.370 18.953 -8.106 1.00 0.00 N ATOM 0 H LYS A 85 24.541 13.685 -9.529 1.00 0.00 H new ATOM 0 HA LYS A 85 21.983 14.631 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 85 24.807 15.338 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 85 23.393 16.239 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.802 16.695 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 85 24.182 15.756 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 85 25.718 17.321 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 85 24.337 18.259 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 85 25.035 17.746 -7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 85 25.458 19.208 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.444 19.969 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.767 18.814 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.950 18.462 -7.291 1.00 0.00 H new ATOM 1252 N ARG A 86 23.639 12.991 -12.565 1.00 0.00 N ATOM 1253 CA ARG A 86 23.498 12.351 -13.864 1.00 0.00 C ATOM 1254 C ARG A 86 22.359 11.340 -13.855 1.00 0.00 C ATOM 1255 O ARG A 86 21.571 11.271 -14.797 1.00 0.00 O ATOM 1256 CB ARG A 86 24.799 11.642 -14.247 1.00 0.00 C ATOM 1257 CG ARG A 86 24.797 11.312 -15.754 1.00 0.00 C ATOM 1258 CD ARG A 86 25.370 12.492 -16.548 1.00 0.00 C ATOM 1259 NE ARG A 86 26.773 12.693 -16.202 1.00 0.00 N ATOM 1260 CZ ARG A 86 27.386 13.842 -16.464 1.00 0.00 C ATOM 1261 NH1 ARG A 86 26.729 14.816 -17.034 1.00 0.00 N ATOM 1262 NH2 ARG A 86 28.643 14.000 -16.147 1.00 0.00 N ATOM 0 H ARG A 86 24.527 12.814 -12.096 1.00 0.00 H new ATOM 0 HA ARG A 86 23.273 13.127 -14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 86 25.653 12.276 -14.006 1.00 0.00 H new ATOM 0 HB3 ARG A 86 24.908 10.726 -13.666 1.00 0.00 H new ATOM 0 HG2 ARG A 86 25.389 10.416 -15.940 1.00 0.00 H new ATOM 0 HG3 ARG A 86 23.781 11.098 -16.087 1.00 0.00 H new ATOM 0 HD2 ARG A 86 25.274 12.302 -17.617 1.00 0.00 H new ATOM 0 HD3 ARG A 86 24.801 13.396 -16.333 1.00 0.00 H new ATOM 0 HE ARG A 86 27.292 11.939 -15.752 1.00 0.00 H new ATOM 0 HH11 ARG A 86 25.746 14.694 -17.278 1.00 0.00 H new ATOM 0 HH12 ARG A 86 27.199 15.699 -17.236 1.00 0.00 H new ATOM 0 HH21 ARG A 86 29.155 13.241 -15.698 1.00 0.00 H new ATOM 0 HH22 ARG A 86 29.113 14.883 -16.349 1.00 0.00 H new ATOM 1276 N LYS A 87 22.291 10.557 -12.794 1.00 0.00 N ATOM 1277 CA LYS A 87 21.251 9.541 -12.672 1.00 0.00 C ATOM 1278 C LYS A 87 19.873 10.183 -12.686 1.00 0.00 C ATOM 1279 O LYS A 87 18.977 9.722 -13.390 1.00 0.00 O ATOM 1280 CB LYS A 87 21.432 8.762 -11.367 1.00 0.00 C ATOM 1281 CG LYS A 87 22.691 7.898 -11.453 1.00 0.00 C ATOM 1282 CD LYS A 87 22.906 7.170 -10.125 1.00 0.00 C ATOM 1283 CE LYS A 87 24.188 6.339 -10.200 1.00 0.00 C ATOM 1284 NZ LYS A 87 24.408 5.645 -8.899 1.00 0.00 N ATOM 0 H LYS A 87 22.938 10.601 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 87 21.335 8.861 -13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 87 21.510 9.453 -10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.560 8.134 -11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 87 22.594 7.176 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 87 23.556 8.520 -11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 87 22.974 7.891 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 87 22.054 6.525 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.114 5.609 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 87 25.038 6.982 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 25.280 5.080 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.497 6.350 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 23.601 5.020 -8.698 1.00 0.00 H new ATOM 1298 N TYR A 88 19.712 11.254 -11.913 1.00 0.00 N ATOM 1299 CA TYR A 88 18.432 11.958 -11.847 1.00 0.00 C ATOM 1300 C TYR A 88 17.274 10.968 -11.840 1.00 0.00 C ATOM 1301 O TYR A 88 16.293 11.148 -12.558 1.00 0.00 O ATOM 1302 CB TYR A 88 18.292 12.898 -13.046 1.00 0.00 C ATOM 1303 CG TYR A 88 17.064 13.762 -12.869 1.00 0.00 C ATOM 1304 CD1 TYR A 88 17.090 14.829 -11.962 1.00 0.00 C ATOM 1305 CD2 TYR A 88 15.902 13.496 -13.604 1.00 0.00 C ATOM 1306 CE1 TYR A 88 15.956 15.632 -11.794 1.00 0.00 C ATOM 1307 CE2 TYR A 88 14.768 14.299 -13.436 1.00 0.00 C ATOM 1308 CZ TYR A 88 14.794 15.364 -12.529 1.00 0.00 C ATOM 1309 OH TYR A 88 13.676 16.155 -12.362 1.00 0.00 O ATOM 0 H TYR A 88 20.446 11.652 -11.327 1.00 0.00 H new ATOM 0 HA TYR A 88 18.405 12.537 -10.924 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.180 13.524 -13.137 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.214 12.321 -13.967 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.985 15.032 -11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.881 12.671 -14.301 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.977 16.458 -11.098 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.873 14.097 -14.006 1.00 0.00 H new ATOM 0 HH TYR A 88 12.958 15.834 -12.947 1.00 0.00 H new ATOM 1319 N TRP A 89 17.406 9.913 -11.041 1.00 0.00 N ATOM 1320 CA TRP A 89 16.370 8.887 -10.960 1.00 0.00 C ATOM 1321 C TRP A 89 16.187 8.194 -12.309 1.00 0.00 C ATOM 1322 O TRP A 89 15.519 7.165 -12.400 1.00 0.00 O ATOM 1323 CB TRP A 89 15.043 9.518 -10.523 1.00 0.00 C ATOM 1324 CG TRP A 89 15.273 10.378 -9.324 1.00 0.00 C ATOM 1325 CD1 TRP A 89 15.277 11.731 -9.327 1.00 0.00 C ATOM 1326 CD2 TRP A 89 15.535 9.969 -7.950 1.00 0.00 C ATOM 1327 NE1 TRP A 89 15.521 12.180 -8.041 1.00 0.00 N ATOM 1328 CE2 TRP A 89 15.687 11.131 -7.157 1.00 0.00 C ATOM 1329 CE3 TRP A 89 15.652 8.717 -7.322 1.00 0.00 C ATOM 1330 CZ2 TRP A 89 15.946 11.052 -5.788 1.00 0.00 C ATOM 1331 CZ3 TRP A 89 15.912 8.633 -5.945 1.00 0.00 C ATOM 1332 CH2 TRP A 89 16.060 9.799 -5.180 1.00 0.00 C ATOM 0 H TRP A 89 18.215 9.746 -10.443 1.00 0.00 H new ATOM 0 HA TRP A 89 16.680 8.144 -10.225 1.00 0.00 H new ATOM 0 HB2 TRP A 89 14.625 10.112 -11.336 1.00 0.00 H new ATOM 0 HB3 TRP A 89 14.316 8.739 -10.292 1.00 0.00 H new ATOM 0 HD1 TRP A 89 15.116 12.358 -10.192 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.572 13.164 -7.778 1.00 0.00 H new ATOM 0 HE3 TRP A 89 15.541 7.813 -7.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.058 11.953 -5.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 15.998 7.666 -5.472 1.00 0.00 H new ATOM 0 HH2 TRP A 89 16.262 9.729 -4.121 1.00 0.00 H new ATOM 1343 N TRP A 90 16.786 8.760 -13.354 1.00 0.00 N ATOM 1344 CA TRP A 90 16.687 8.191 -14.687 1.00 0.00 C ATOM 1345 C TRP A 90 17.455 6.881 -14.767 1.00 0.00 C ATOM 1346 O TRP A 90 16.935 5.883 -15.258 1.00 0.00 O ATOM 1347 CB TRP A 90 17.242 9.175 -15.718 1.00 0.00 C ATOM 1348 CG TRP A 90 16.868 8.719 -17.091 1.00 0.00 C ATOM 1349 CD1 TRP A 90 15.623 8.778 -17.615 1.00 0.00 C ATOM 1350 CD2 TRP A 90 17.718 8.143 -18.125 1.00 0.00 C ATOM 1351 NE1 TRP A 90 15.653 8.272 -18.902 1.00 0.00 N ATOM 1352 CE2 TRP A 90 16.923 7.869 -19.261 1.00 0.00 C ATOM 1353 CE3 TRP A 90 19.088 7.834 -18.185 1.00 0.00 C ATOM 1354 CZ2 TRP A 90 17.468 7.308 -20.418 1.00 0.00 C ATOM 1355 CZ3 TRP A 90 19.640 7.270 -19.346 1.00 0.00 C ATOM 1356 CH2 TRP A 90 18.831 7.006 -20.459 1.00 0.00 C ATOM 0 H TRP A 90 17.344 9.612 -13.299 1.00 0.00 H new ATOM 0 HA TRP A 90 15.636 7.996 -14.901 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.846 10.174 -15.534 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.326 9.241 -15.627 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.747 9.158 -17.111 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.837 8.205 -19.511 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.720 8.032 -17.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 16.840 7.109 -21.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.694 7.038 -19.381 1.00 0.00 H new ATOM 0 HH2 TRP A 90 19.261 6.569 -21.348 1.00 0.00 H new ATOM 1367 N LYS A 91 18.702 6.890 -14.280 1.00 0.00 N ATOM 1368 CA LYS A 91 19.537 5.687 -14.304 1.00 0.00 C ATOM 1369 C LYS A 91 19.770 5.182 -12.889 1.00 0.00 C ATOM 1370 O LYS A 91 20.226 5.927 -12.025 1.00 0.00 O ATOM 1371 CB LYS A 91 20.880 6.002 -14.957 1.00 0.00 C ATOM 1372 CG LYS A 91 21.659 4.705 -15.162 1.00 0.00 C ATOM 1373 CD LYS A 91 22.955 5.000 -15.918 1.00 0.00 C ATOM 1374 CE LYS A 91 23.716 3.696 -16.157 1.00 0.00 C ATOM 1375 NZ LYS A 91 24.047 3.065 -14.848 1.00 0.00 N ATOM 0 H LYS A 91 19.150 7.709 -13.869 1.00 0.00 H new ATOM 0 HA LYS A 91 19.024 4.916 -14.879 1.00 0.00 H new ATOM 0 HB2 LYS A 91 20.724 6.501 -15.914 1.00 0.00 H new ATOM 0 HB3 LYS A 91 21.450 6.687 -14.330 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.884 4.248 -14.198 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.055 3.990 -15.721 1.00 0.00 H new ATOM 0 HD2 LYS A 91 22.731 5.482 -16.870 1.00 0.00 H new ATOM 0 HD3 LYS A 91 23.572 5.694 -15.346 1.00 0.00 H new ATOM 0 HE2 LYS A 91 23.113 3.016 -16.758 1.00 0.00 H new ATOM 0 HE3 LYS A 91 24.629 3.893 -16.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 24.979 2.608 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 24.066 3.794 -14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 23.327 2.352 -14.614 1.00 0.00 H new ATOM 1389 N ASN A 92 19.447 3.910 -12.657 1.00 0.00 N ATOM 1390 CA ASN A 92 19.622 3.299 -11.337 1.00 0.00 C ATOM 1391 C ASN A 92 20.422 2.008 -11.451 1.00 0.00 C ATOM 1392 O ASN A 92 20.136 1.159 -12.294 1.00 0.00 O ATOM 1393 CB ASN A 92 18.257 3.005 -10.718 1.00 0.00 C ATOM 1394 CG ASN A 92 17.499 4.309 -10.487 1.00 0.00 C ATOM 1395 OD1 ASN A 92 18.057 5.269 -9.956 1.00 0.00 O ATOM 1396 ND2 ASN A 92 16.251 4.400 -10.857 1.00 0.00 N ATOM 0 H ASN A 92 19.063 3.282 -13.364 1.00 0.00 H new ATOM 0 HA ASN A 92 20.167 3.995 -10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.683 2.352 -11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 92 18.383 2.475 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 92 15.736 5.268 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 92 15.790 3.603 -11.297 1.00 0.00 H new ATOM 1403 N LEU A 93 21.429 1.870 -10.595 1.00 0.00 N ATOM 1404 CA LEU A 93 22.270 0.678 -10.603 1.00 0.00 C ATOM 1405 C LEU A 93 21.618 -0.437 -9.798 1.00 0.00 C ATOM 1406 O LEU A 93 22.169 -1.529 -9.674 1.00 0.00 O ATOM 1407 CB LEU A 93 23.644 1.005 -10.011 1.00 0.00 C ATOM 1408 CG LEU A 93 24.208 2.256 -10.690 1.00 0.00 C ATOM 1409 CD1 LEU A 93 25.591 2.571 -10.111 1.00 0.00 C ATOM 1410 CD2 LEU A 93 24.324 2.017 -12.204 1.00 0.00 C ATOM 0 H LEU A 93 21.682 2.564 -9.891 1.00 0.00 H new ATOM 0 HA LEU A 93 22.391 0.344 -11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.559 1.168 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.323 0.164 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 93 23.539 3.098 -10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.993 3.462 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 93 25.505 2.747 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 93 26.260 1.729 -10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 93 24.726 2.910 -12.684 1.00 0.00 H new ATOM 0 HD22 LEU A 93 24.990 1.174 -12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 93 23.338 1.797 -12.614 1.00 0.00 H new ATOM 1422 N LYS A 94 20.447 -0.156 -9.239 1.00 0.00 N ATOM 1423 CA LYS A 94 19.751 -1.145 -8.432 1.00 0.00 C ATOM 1424 C LYS A 94 19.561 -2.440 -9.231 1.00 0.00 C ATOM 1425 O LYS A 94 19.883 -3.531 -8.760 1.00 0.00 O ATOM 1426 CB LYS A 94 18.372 -0.588 -8.017 1.00 0.00 C ATOM 1427 CG LYS A 94 17.950 -1.166 -6.663 1.00 0.00 C ATOM 1428 CD LYS A 94 17.918 -2.691 -6.742 1.00 0.00 C ATOM 1429 CE LYS A 94 17.188 -3.250 -5.525 1.00 0.00 C ATOM 1430 NZ LYS A 94 17.089 -4.732 -5.644 1.00 0.00 N ATOM 0 H LYS A 94 19.965 0.739 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 94 20.344 -1.361 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.414 0.500 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.629 -0.838 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.646 -0.847 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.967 -0.786 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.417 -3.008 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.934 -3.085 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.721 -2.982 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.192 -2.813 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.235 -5.166 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.147 -4.989 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.816 -5.077 -6.304 1.00 0.00 H new ATOM 1444 N MET A 95 19.050 -2.308 -10.446 1.00 0.00 N ATOM 1445 CA MET A 95 18.831 -3.469 -11.296 1.00 0.00 C ATOM 1446 C MET A 95 20.159 -4.131 -11.643 1.00 0.00 C ATOM 1447 O MET A 95 20.252 -5.354 -11.735 1.00 0.00 O ATOM 1448 CB MET A 95 18.104 -3.056 -12.576 1.00 0.00 C ATOM 1449 CG MET A 95 17.818 -4.297 -13.426 1.00 0.00 C ATOM 1450 SD MET A 95 16.881 -3.816 -14.899 1.00 0.00 S ATOM 1451 CE MET A 95 15.228 -4.092 -14.219 1.00 0.00 C ATOM 0 H MET A 95 18.781 -1.417 -10.863 1.00 0.00 H new ATOM 0 HA MET A 95 18.214 -4.185 -10.753 1.00 0.00 H new ATOM 0 HB2 MET A 95 17.171 -2.549 -12.329 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.712 -2.349 -13.140 1.00 0.00 H new ATOM 0 HG2 MET A 95 18.753 -4.775 -13.717 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.254 -5.027 -12.845 1.00 0.00 H new ATOM 0 HE1 MET A 95 14.479 -3.852 -14.974 1.00 0.00 H new ATOM 0 HE2 MET A 95 15.125 -5.137 -13.925 1.00 0.00 H new ATOM 0 HE3 MET A 95 15.082 -3.454 -13.348 1.00 0.00 H new ATOM 1461 N MET A 96 21.184 -3.312 -11.848 1.00 0.00 N ATOM 1462 CA MET A 96 22.504 -3.824 -12.195 1.00 0.00 C ATOM 1463 C MET A 96 23.058 -4.675 -11.060 1.00 0.00 C ATOM 1464 O MET A 96 23.741 -5.671 -11.296 1.00 0.00 O ATOM 1465 CB MET A 96 23.456 -2.659 -12.484 1.00 0.00 C ATOM 1466 CG MET A 96 22.983 -1.904 -13.729 1.00 0.00 C ATOM 1467 SD MET A 96 23.115 -2.973 -15.184 1.00 0.00 S ATOM 1468 CE MET A 96 24.921 -3.088 -15.235 1.00 0.00 C ATOM 0 H MET A 96 21.127 -2.296 -11.780 1.00 0.00 H new ATOM 0 HA MET A 96 22.415 -4.444 -13.087 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.491 -1.984 -11.629 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.468 -3.033 -12.636 1.00 0.00 H new ATOM 0 HG2 MET A 96 21.951 -1.579 -13.598 1.00 0.00 H new ATOM 0 HG3 MET A 96 23.584 -1.006 -13.871 1.00 0.00 H new ATOM 0 HE1 MET A 96 25.248 -3.219 -16.266 1.00 0.00 H new ATOM 0 HE2 MET A 96 25.355 -2.174 -14.830 1.00 0.00 H new ATOM 0 HE3 MET A 96 25.248 -3.940 -14.639 1.00 0.00 H new ATOM 1478 N ILE A 97 22.764 -4.277 -9.831 1.00 0.00 N ATOM 1479 CA ILE A 97 23.242 -5.013 -8.672 1.00 0.00 C ATOM 1480 C ILE A 97 22.673 -6.426 -8.664 1.00 0.00 C ATOM 1481 O ILE A 97 23.386 -7.388 -8.377 1.00 0.00 O ATOM 1482 CB ILE A 97 22.833 -4.284 -7.383 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.613 -2.954 -7.270 1.00 0.00 C ATOM 1484 CG2 ILE A 97 23.130 -5.174 -6.160 1.00 0.00 C ATOM 1485 CD1 ILE A 97 24.990 -3.196 -6.623 1.00 0.00 C ATOM 0 H ILE A 97 22.201 -3.455 -9.612 1.00 0.00 H new ATOM 0 HA ILE A 97 24.329 -5.073 -8.725 1.00 0.00 H new ATOM 0 HB ILE A 97 21.764 -4.071 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 97 23.740 -2.514 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.044 -2.240 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.838 -4.651 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.567 -6.104 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.196 -5.398 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 97 25.529 -2.251 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 97 24.855 -3.615 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 97 25.562 -3.893 -7.235 1.00 0.00 H new ATOM 1497 N ILE A 98 21.392 -6.542 -8.973 1.00 0.00 N ATOM 1498 CA ILE A 98 20.743 -7.844 -8.993 1.00 0.00 C ATOM 1499 C ILE A 98 21.387 -8.729 -10.051 1.00 0.00 C ATOM 1500 O ILE A 98 21.636 -9.909 -9.824 1.00 0.00 O ATOM 1501 CB ILE A 98 19.251 -7.675 -9.296 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.572 -6.967 -8.120 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.606 -9.050 -9.497 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.164 -6.530 -8.531 1.00 0.00 C ATOM 0 H ILE A 98 20.785 -5.758 -9.212 1.00 0.00 H new ATOM 0 HA ILE A 98 20.859 -8.315 -8.017 1.00 0.00 H new ATOM 0 HB ILE A 98 19.132 -7.082 -10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.520 -7.635 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.159 -6.100 -7.816 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.545 -8.926 -9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.088 -9.560 -10.331 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.725 -9.644 -8.591 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.681 -6.026 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.228 -5.847 -9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.579 -7.405 -8.814 1.00 0.00 H new ATOM 1516 N LEU A 99 21.640 -8.159 -11.217 1.00 0.00 N ATOM 1517 CA LEU A 99 22.233 -8.922 -12.298 1.00 0.00 C ATOM 1518 C LEU A 99 23.622 -9.427 -11.906 1.00 0.00 C ATOM 1519 O LEU A 99 24.003 -10.554 -12.219 1.00 0.00 O ATOM 1520 CB LEU A 99 22.333 -8.042 -13.567 1.00 0.00 C ATOM 1521 CG LEU A 99 22.155 -8.914 -14.825 1.00 0.00 C ATOM 1522 CD1 LEU A 99 23.178 -10.065 -14.809 1.00 0.00 C ATOM 1523 CD2 LEU A 99 20.711 -9.488 -14.870 1.00 0.00 C ATOM 0 H LEU A 99 21.446 -7.182 -11.437 1.00 0.00 H new ATOM 0 HA LEU A 99 21.597 -9.784 -12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.570 -7.264 -13.542 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.300 -7.539 -13.596 1.00 0.00 H new ATOM 0 HG LEU A 99 22.321 -8.302 -15.712 1.00 0.00 H new ATOM 0 HD11 LEU A 99 23.049 -10.679 -15.700 1.00 0.00 H new ATOM 0 HD12 LEU A 99 24.188 -9.654 -14.795 1.00 0.00 H new ATOM 0 HD13 LEU A 99 23.023 -10.677 -13.921 1.00 0.00 H new ATOM 0 HD21 LEU A 99 20.592 -10.103 -15.762 1.00 0.00 H new ATOM 0 HD22 LEU A 99 20.533 -10.096 -13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.994 -8.667 -14.897 1.00 0.00 H new ATOM 1535 N GLY A 100 24.373 -8.580 -11.231 1.00 0.00 N ATOM 1536 CA GLY A 100 25.716 -8.945 -10.815 1.00 0.00 C ATOM 1537 C GLY A 100 25.693 -10.202 -9.954 1.00 0.00 C ATOM 1538 O GLY A 100 26.624 -11.006 -9.991 1.00 0.00 O ATOM 0 H GLY A 100 24.081 -7.641 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.341 -9.111 -11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.164 -8.124 -10.256 1.00 0.00 H new ATOM 1542 N VAL A 101 24.626 -10.364 -9.178 1.00 0.00 N ATOM 1543 CA VAL A 101 24.499 -11.529 -8.309 1.00 0.00 C ATOM 1544 C VAL A 101 24.462 -12.810 -9.136 1.00 0.00 C ATOM 1545 O VAL A 101 25.162 -13.777 -8.832 1.00 0.00 O ATOM 1546 CB VAL A 101 23.221 -11.423 -7.475 1.00 0.00 C ATOM 1547 CG1 VAL A 101 23.040 -12.695 -6.646 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.323 -10.211 -6.545 1.00 0.00 C ATOM 0 H VAL A 101 23.844 -9.711 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 101 25.364 -11.560 -7.646 1.00 0.00 H new ATOM 0 HB VAL A 101 22.363 -11.303 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 101 22.129 -12.616 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.967 -13.555 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.895 -12.821 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.414 -10.132 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 101 24.181 -10.331 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.447 -9.306 -7.139 1.00 0.00 H new ATOM 1558 N ILE A 102 23.649 -12.809 -10.184 1.00 0.00 N ATOM 1559 CA ILE A 102 23.539 -13.985 -11.043 1.00 0.00 C ATOM 1560 C ILE A 102 24.875 -14.271 -11.730 1.00 0.00 C ATOM 1561 O ILE A 102 25.322 -15.419 -11.808 1.00 0.00 O ATOM 1562 CB ILE A 102 22.437 -13.760 -12.098 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.060 -13.986 -11.457 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.615 -14.742 -13.267 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.872 -13.019 -10.289 1.00 0.00 C ATOM 0 H ILE A 102 23.063 -12.021 -10.459 1.00 0.00 H new ATOM 0 HA ILE A 102 23.275 -14.846 -10.429 1.00 0.00 H new ATOM 0 HB ILE A 102 22.510 -12.739 -12.472 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.274 -13.835 -12.197 1.00 0.00 H new ATOM 0 HG13 ILE A 102 20.975 -15.015 -11.107 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.831 -14.574 -14.006 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.589 -14.584 -13.729 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.551 -15.765 -12.896 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.894 -13.181 -9.836 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.650 -13.191 -9.545 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.938 -11.993 -10.652 1.00 0.00 H new ATOM 1577 N CYS A 103 25.492 -13.224 -12.239 1.00 0.00 N ATOM 1578 CA CYS A 103 26.764 -13.367 -12.929 1.00 0.00 C ATOM 1579 C CYS A 103 27.840 -13.859 -11.971 1.00 0.00 C ATOM 1580 O CYS A 103 28.631 -14.731 -12.313 1.00 0.00 O ATOM 1581 CB CYS A 103 27.192 -12.031 -13.537 1.00 0.00 C ATOM 1582 SG CYS A 103 26.028 -11.563 -14.840 1.00 0.00 S ATOM 0 H CYS A 103 25.138 -12.269 -12.190 1.00 0.00 H new ATOM 0 HA CYS A 103 26.638 -14.100 -13.726 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.221 -11.261 -12.766 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.199 -12.111 -13.946 1.00 0.00 H new ATOM 0 HG CYS A 103 26.389 -10.426 -15.357 1.00 0.00 H new ATOM 1588 N ALA A 104 27.856 -13.297 -10.769 1.00 0.00 N ATOM 1589 CA ALA A 104 28.841 -13.684 -9.770 1.00 0.00 C ATOM 1590 C ALA A 104 28.865 -15.198 -9.598 1.00 0.00 C ATOM 1591 O ALA A 104 29.922 -15.791 -9.394 1.00 0.00 O ATOM 1592 CB ALA A 104 28.511 -13.025 -8.430 1.00 0.00 C ATOM 0 H ALA A 104 27.202 -12.576 -10.464 1.00 0.00 H new ATOM 0 HA ALA A 104 29.822 -13.352 -10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 104 29.253 -13.319 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.523 -11.941 -8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.522 -13.344 -8.101 1.00 0.00 H new ATOM 1598 N ILE A 105 27.694 -15.814 -9.686 1.00 0.00 N ATOM 1599 CA ILE A 105 27.591 -17.261 -9.540 1.00 0.00 C ATOM 1600 C ILE A 105 28.348 -17.967 -10.660 1.00 0.00 C ATOM 1601 O ILE A 105 29.031 -18.964 -10.427 1.00 0.00 O ATOM 1602 CB ILE A 105 26.122 -17.692 -9.561 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.421 -17.155 -8.310 1.00 0.00 C ATOM 1604 CG2 ILE A 105 26.032 -19.224 -9.571 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.913 -17.368 -8.442 1.00 0.00 C ATOM 0 H ILE A 105 26.807 -15.339 -9.857 1.00 0.00 H new ATOM 0 HA ILE A 105 28.033 -17.541 -8.584 1.00 0.00 H new ATOM 0 HB ILE A 105 25.641 -17.295 -10.455 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.795 -17.666 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.640 -16.095 -8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.985 -19.527 -9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.535 -19.612 -10.457 1.00 0.00 H new ATOM 0 HG23 ILE A 105 26.512 -19.623 -8.677 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.412 -16.986 -7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.546 -16.837 -9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.704 -18.433 -8.547 1.00 0.00 H new ATOM 1617 N ILE A 106 28.205 -17.457 -11.878 1.00 0.00 N ATOM 1618 CA ILE A 106 28.865 -18.067 -13.028 1.00 0.00 C ATOM 1619 C ILE A 106 30.379 -18.063 -12.833 1.00 0.00 C ATOM 1620 O ILE A 106 31.054 -19.052 -13.121 1.00 0.00 O ATOM 1621 CB ILE A 106 28.505 -17.301 -14.303 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.016 -17.491 -14.604 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.332 -17.832 -15.479 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.593 -16.545 -15.731 1.00 0.00 C ATOM 0 H ILE A 106 27.645 -16.632 -12.094 1.00 0.00 H new ATOM 0 HA ILE A 106 28.524 -19.098 -13.120 1.00 0.00 H new ATOM 0 HB ILE A 106 28.721 -16.242 -14.160 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.822 -18.524 -14.891 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.426 -17.293 -13.709 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.072 -17.283 -16.384 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.393 -17.700 -15.267 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.120 -18.891 -15.624 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.533 -16.683 -15.943 1.00 0.00 H new ATOM 0 HD12 ILE A 106 26.771 -15.514 -15.427 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.173 -16.764 -16.627 1.00 0.00 H new ATOM 1636 N LEU A 107 30.905 -16.950 -12.351 1.00 0.00 N ATOM 1637 CA LEU A 107 32.342 -16.836 -12.127 1.00 0.00 C ATOM 1638 C LEU A 107 32.813 -17.830 -11.083 1.00 0.00 C ATOM 1639 O LEU A 107 33.863 -18.444 -11.240 1.00 0.00 O ATOM 1640 CB LEU A 107 32.683 -15.405 -11.678 1.00 0.00 C ATOM 1641 CG LEU A 107 32.847 -14.496 -12.910 1.00 0.00 C ATOM 1642 CD1 LEU A 107 34.132 -14.879 -13.689 1.00 0.00 C ATOM 1643 CD2 LEU A 107 31.617 -14.644 -13.826 1.00 0.00 C ATOM 0 H LEU A 107 30.367 -16.118 -12.108 1.00 0.00 H new ATOM 0 HA LEU A 107 32.854 -17.059 -13.063 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.894 -15.019 -11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.602 -15.407 -11.092 1.00 0.00 H new ATOM 0 HG LEU A 107 32.932 -13.460 -12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 107 34.238 -14.230 -14.558 1.00 0.00 H new ATOM 0 HD12 LEU A 107 35.000 -14.761 -13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 107 34.063 -15.916 -14.017 1.00 0.00 H new ATOM 0 HD21 LEU A 107 31.733 -14.000 -14.698 1.00 0.00 H new ATOM 0 HD22 LEU A 107 31.527 -15.681 -14.150 1.00 0.00 H new ATOM 0 HD23 LEU A 107 30.719 -14.355 -13.279 1.00 0.00 H new ATOM 1655 N ILE A 108 32.038 -17.976 -10.026 1.00 0.00 N ATOM 1656 CA ILE A 108 32.397 -18.894 -8.954 1.00 0.00 C ATOM 1657 C ILE A 108 32.493 -20.320 -9.480 1.00 0.00 C ATOM 1658 O ILE A 108 33.405 -21.063 -9.120 1.00 0.00 O ATOM 1659 CB ILE A 108 31.354 -18.824 -7.837 1.00 0.00 C ATOM 1660 CG1 ILE A 108 31.445 -17.464 -7.136 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.610 -19.940 -6.819 1.00 0.00 C ATOM 1662 CD1 ILE A 108 30.246 -17.284 -6.195 1.00 0.00 C ATOM 0 H ILE A 108 31.160 -17.476 -9.883 1.00 0.00 H new ATOM 0 HA ILE A 108 33.370 -18.601 -8.559 1.00 0.00 H new ATOM 0 HB ILE A 108 30.360 -18.948 -8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 108 32.375 -17.397 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 108 31.462 -16.664 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.865 -19.886 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.542 -20.908 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.605 -19.821 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 108 30.315 -16.316 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 108 29.321 -17.332 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 108 30.249 -18.076 -5.446 1.00 0.00 H new ATOM 1674 N ILE A 109 31.547 -20.698 -10.324 1.00 0.00 N ATOM 1675 CA ILE A 109 31.534 -22.042 -10.884 1.00 0.00 C ATOM 1676 C ILE A 109 32.846 -22.328 -11.606 1.00 0.00 C ATOM 1677 O ILE A 109 33.373 -23.438 -11.532 1.00 0.00 O ATOM 1678 CB ILE A 109 30.363 -22.193 -11.863 1.00 0.00 C ATOM 1679 CG1 ILE A 109 29.043 -22.167 -11.087 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.486 -23.521 -12.621 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.868 -22.099 -12.067 1.00 0.00 C ATOM 0 H ILE A 109 30.782 -20.099 -10.636 1.00 0.00 H new ATOM 0 HA ILE A 109 31.415 -22.756 -10.069 1.00 0.00 H new ATOM 0 HB ILE A 109 30.383 -21.370 -12.577 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.959 -23.058 -10.465 1.00 0.00 H new ATOM 0 HG13 ILE A 109 29.021 -21.307 -10.418 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.651 -23.623 -13.315 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.424 -23.537 -13.176 1.00 0.00 H new ATOM 0 HG23 ILE A 109 30.470 -24.348 -11.911 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.931 -22.081 -11.511 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.949 -21.195 -12.671 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.886 -22.973 -12.718 1.00 0.00 H new ATOM 1693 N ILE A 110 33.358 -21.333 -12.318 1.00 0.00 N ATOM 1694 CA ILE A 110 34.599 -21.511 -13.058 1.00 0.00 C ATOM 1695 C ILE A 110 35.740 -21.863 -12.109 1.00 0.00 C ATOM 1696 O ILE A 110 36.530 -22.763 -12.385 1.00 0.00 O ATOM 1697 CB ILE A 110 34.941 -20.218 -13.813 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.908 -19.990 -14.921 1.00 0.00 C ATOM 1699 CG2 ILE A 110 36.341 -20.328 -14.426 1.00 0.00 C ATOM 1700 CD1 ILE A 110 34.106 -18.598 -15.530 1.00 0.00 C ATOM 0 H ILE A 110 32.940 -20.406 -12.398 1.00 0.00 H new ATOM 0 HA ILE A 110 34.467 -22.327 -13.769 1.00 0.00 H new ATOM 0 HB ILE A 110 34.923 -19.378 -13.119 1.00 0.00 H new ATOM 0 HG12 ILE A 110 34.012 -20.753 -15.692 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.900 -20.081 -14.517 1.00 0.00 H new ATOM 0 HG21 ILE A 110 36.578 -19.408 -14.960 1.00 0.00 H new ATOM 0 HG22 ILE A 110 37.073 -20.487 -13.634 1.00 0.00 H new ATOM 0 HG23 ILE A 110 36.369 -21.168 -15.120 1.00 0.00 H new ATOM 0 HD11 ILE A 110 33.370 -18.438 -16.318 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.980 -17.841 -14.756 1.00 0.00 H new ATOM 0 HD13 ILE A 110 35.109 -18.524 -15.950 1.00 0.00 H new ATOM 1712 N ILE A 111 35.817 -21.159 -10.992 1.00 0.00 N ATOM 1713 CA ILE A 111 36.868 -21.414 -10.016 1.00 0.00 C ATOM 1714 C ILE A 111 36.707 -22.808 -9.418 1.00 0.00 C ATOM 1715 O ILE A 111 37.682 -23.542 -9.262 1.00 0.00 O ATOM 1716 CB ILE A 111 36.820 -20.349 -8.899 1.00 0.00 C ATOM 1717 CG1 ILE A 111 37.469 -19.036 -9.391 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.567 -20.852 -7.654 1.00 0.00 C ATOM 1719 CD1 ILE A 111 36.486 -18.274 -10.276 1.00 0.00 C ATOM 0 H ILE A 111 35.171 -20.412 -10.738 1.00 0.00 H new ATOM 0 HA ILE A 111 37.834 -21.359 -10.518 1.00 0.00 H new ATOM 0 HB ILE A 111 35.777 -20.163 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 111 37.758 -18.421 -8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 111 38.379 -19.256 -9.948 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.526 -20.092 -6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.098 -21.768 -7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.607 -21.053 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 111 36.948 -17.349 -10.620 1.00 0.00 H new ATOM 0 HD12 ILE A 111 36.219 -18.888 -11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 111 35.588 -18.040 -9.704 1.00 0.00 H new ATOM 1731 N VAL A 112 35.478 -23.154 -9.071 1.00 0.00 N ATOM 1732 CA VAL A 112 35.198 -24.449 -8.480 1.00 0.00 C ATOM 1733 C VAL A 112 35.494 -25.556 -9.482 1.00 0.00 C ATOM 1734 O VAL A 112 36.005 -26.615 -9.118 1.00 0.00 O ATOM 1735 CB VAL A 112 33.737 -24.519 -8.029 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.421 -25.934 -7.539 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.507 -23.525 -6.887 1.00 0.00 C ATOM 0 H VAL A 112 34.660 -22.556 -9.189 1.00 0.00 H new ATOM 0 HA VAL A 112 35.839 -24.584 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 112 33.087 -24.269 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.381 -25.984 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.585 -26.645 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.072 -26.183 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.467 -23.575 -6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.158 -23.776 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.732 -22.516 -7.232 1.00 0.00 H new ATOM 1747 N TYR A 113 35.151 -25.309 -10.740 1.00 0.00 N ATOM 1748 CA TYR A 113 35.368 -26.297 -11.782 1.00 0.00 C ATOM 1749 C TYR A 113 36.818 -26.763 -11.789 1.00 0.00 C ATOM 1750 O TYR A 113 37.095 -27.961 -11.871 1.00 0.00 O ATOM 1751 CB TYR A 113 35.013 -25.704 -13.150 1.00 0.00 C ATOM 1752 CG TYR A 113 35.324 -26.708 -14.234 1.00 0.00 C ATOM 1753 CD1 TYR A 113 34.463 -27.789 -14.457 1.00 0.00 C ATOM 1754 CD2 TYR A 113 36.477 -26.560 -15.017 1.00 0.00 C ATOM 1755 CE1 TYR A 113 34.751 -28.719 -15.462 1.00 0.00 C ATOM 1756 CE2 TYR A 113 36.765 -27.490 -16.022 1.00 0.00 C ATOM 1757 CZ TYR A 113 35.902 -28.571 -16.244 1.00 0.00 C ATOM 1758 OH TYR A 113 36.188 -29.488 -17.234 1.00 0.00 O ATOM 0 H TYR A 113 34.725 -24.439 -11.059 1.00 0.00 H new ATOM 0 HA TYR A 113 34.725 -27.154 -11.580 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.956 -25.438 -13.179 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.577 -24.787 -13.317 1.00 0.00 H new ATOM 0 HD1 TYR A 113 33.575 -27.905 -13.853 1.00 0.00 H new ATOM 0 HD2 TYR A 113 37.143 -25.728 -14.845 1.00 0.00 H new ATOM 0 HE1 TYR A 113 34.085 -29.551 -15.634 1.00 0.00 H new ATOM 0 HE2 TYR A 113 37.652 -27.374 -16.626 1.00 0.00 H new ATOM 0 HH TYR A 113 37.022 -29.236 -17.682 1.00 0.00 H new ATOM 1768 N PHE A 114 37.730 -25.815 -11.695 1.00 0.00 N ATOM 1769 CA PHE A 114 39.155 -26.139 -11.681 1.00 0.00 C ATOM 1770 C PHE A 114 39.507 -26.987 -10.465 1.00 0.00 C ATOM 1771 O PHE A 114 40.286 -27.935 -10.560 1.00 0.00 O ATOM 1772 CB PHE A 114 39.991 -24.856 -11.676 1.00 0.00 C ATOM 1773 CG PHE A 114 39.944 -24.213 -13.046 1.00 0.00 C ATOM 1774 CD1 PHE A 114 40.542 -24.857 -14.137 1.00 0.00 C ATOM 1775 CD2 PHE A 114 39.312 -22.978 -13.226 1.00 0.00 C ATOM 1776 CE1 PHE A 114 40.504 -24.267 -15.405 1.00 0.00 C ATOM 1777 CE2 PHE A 114 39.276 -22.390 -14.494 1.00 0.00 C ATOM 1778 CZ PHE A 114 39.870 -23.033 -15.585 1.00 0.00 C ATOM 0 H PHE A 114 37.519 -24.819 -11.627 1.00 0.00 H new ATOM 0 HA PHE A 114 39.380 -26.711 -12.581 1.00 0.00 H new ATOM 0 HB2 PHE A 114 39.609 -24.164 -10.925 1.00 0.00 H new ATOM 0 HB3 PHE A 114 41.022 -25.083 -11.405 1.00 0.00 H new ATOM 0 HD1 PHE A 114 41.033 -25.809 -13.999 1.00 0.00 H new ATOM 0 HD2 PHE A 114 38.852 -22.479 -12.386 1.00 0.00 H new ATOM 0 HE1 PHE A 114 40.965 -24.765 -16.246 1.00 0.00 H new ATOM 0 HE2 PHE A 114 38.788 -21.436 -14.632 1.00 0.00 H new ATOM 0 HZ PHE A 114 39.839 -22.578 -16.564 1.00 0.00 H new ATOM 1788 N SER A 115 38.931 -26.637 -9.328 1.00 0.00 N ATOM 1789 CA SER A 115 39.185 -27.361 -8.094 1.00 0.00 C ATOM 1790 C SER A 115 38.522 -28.731 -8.125 1.00 0.00 C ATOM 1791 O SER A 115 38.917 -29.641 -7.394 1.00 0.00 O ATOM 1792 CB SER A 115 38.671 -26.563 -6.894 1.00 0.00 C ATOM 1793 OG SER A 115 37.278 -26.336 -7.045 1.00 0.00 O ATOM 0 H SER A 115 38.283 -25.855 -9.233 1.00 0.00 H new ATOM 0 HA SER A 115 40.262 -27.497 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 115 38.864 -27.108 -5.970 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.200 -25.613 -6.820 1.00 0.00 H new ATOM 0 HG SER A 115 36.992 -26.638 -7.932 1.00 0.00 H new ATOM 1799 N THR A 116 37.509 -28.867 -8.971 1.00 0.00 N ATOM 1800 CA THR A 116 36.792 -30.128 -9.089 1.00 0.00 C ATOM 1801 C THR A 116 37.748 -31.259 -9.456 1.00 0.00 C ATOM 1802 O THR A 116 38.001 -32.094 -8.603 1.00 0.00 O ATOM 1803 CB THR A 116 35.702 -30.011 -10.157 1.00 0.00 C ATOM 1804 OG1 THR A 116 34.983 -28.802 -9.964 1.00 0.00 O ATOM 1805 CG2 THR A 116 34.746 -31.196 -10.041 1.00 0.00 C ATOM 1806 OXT THR A 116 38.212 -31.273 -10.585 1.00 0.00 O ATOM 0 H THR A 116 37.168 -28.125 -9.581 1.00 0.00 H new ATOM 0 HA THR A 116 36.335 -30.354 -8.126 1.00 0.00 H new ATOM 0 HB THR A 116 36.159 -30.010 -11.146 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.448 -28.246 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 116 33.970 -31.113 -10.802 1.00 0.00 H new ATOM 0 HG22 THR A 116 35.298 -32.125 -10.186 1.00 0.00 H new ATOM 0 HG23 THR A 116 34.287 -31.198 -9.052 1.00 0.00 H new TER 1814 THR A 116