USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 784 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 52 SER OG : rot 180:sc= -0.0141 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0808 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0199) USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 61:sc= 0.0189 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.712 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 173:sc= 1.1 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.044 USER MOD Single : A 83 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.67) USER MOD Single : A 88 HIS : no HD1:sc= -8.18! C(o=-8.2!,f=-7.8!) USER MOD Single : A 92 SER OG : rot 17:sc= -0.539 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 25:sc= 0.761 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.185 21.514 -8.750 1.00 0.00 N ATOM 2 CA GLY A 1 18.707 22.224 -7.578 1.00 0.00 C ATOM 3 C GLY A 1 19.668 23.303 -7.122 1.00 0.00 C ATOM 4 O GLY A 1 20.579 23.684 -7.857 1.00 0.00 O ATOM 0 H1 GLY A 1 18.428 21.468 -9.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.005 22.015 -9.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.466 20.549 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.739 22.674 -7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.551 21.514 -6.766 1.00 0.00 H new ATOM 8 N SER A 2 19.465 23.799 -5.905 1.00 0.00 N ATOM 9 CA SER A 2 20.318 24.846 -5.354 1.00 0.00 C ATOM 10 C SER A 2 21.553 24.246 -4.690 1.00 0.00 C ATOM 11 O SER A 2 21.452 23.315 -3.891 1.00 0.00 O ATOM 12 CB SER A 2 19.539 25.687 -4.341 1.00 0.00 C ATOM 13 OG SER A 2 18.407 26.292 -4.944 1.00 0.00 O ATOM 0 H SER A 2 18.718 23.493 -5.282 1.00 0.00 H new ATOM 0 HA SER A 2 20.642 25.486 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.220 25.058 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.189 26.457 -3.926 1.00 0.00 H new ATOM 0 HG SER A 2 17.925 26.823 -4.276 1.00 0.00 H new ATOM 19 N SER A 3 22.720 24.787 -5.027 1.00 0.00 N ATOM 20 CA SER A 3 23.977 24.303 -4.467 1.00 0.00 C ATOM 21 C SER A 3 24.067 24.623 -2.978 1.00 0.00 C ATOM 22 O SER A 3 23.936 25.777 -2.570 1.00 0.00 O ATOM 23 CB SER A 3 25.162 24.926 -5.207 1.00 0.00 C ATOM 24 OG SER A 3 25.348 24.319 -6.474 1.00 0.00 O ATOM 0 H SER A 3 22.821 25.560 -5.685 1.00 0.00 H new ATOM 0 HA SER A 3 24.009 23.221 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.994 25.996 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.067 24.814 -4.610 1.00 0.00 H new ATOM 0 HG SER A 3 26.110 24.736 -6.928 1.00 0.00 H new ATOM 30 N GLY A 4 24.293 23.592 -2.170 1.00 0.00 N ATOM 31 CA GLY A 4 24.397 23.783 -0.735 1.00 0.00 C ATOM 32 C GLY A 4 23.676 22.703 0.048 1.00 0.00 C ATOM 33 O GLY A 4 24.245 22.102 0.958 1.00 0.00 O ATOM 0 H GLY A 4 24.406 22.628 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.449 23.794 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.984 24.756 -0.470 1.00 0.00 H new ATOM 37 N SER A 5 22.418 22.458 -0.306 1.00 0.00 N ATOM 38 CA SER A 5 21.617 21.447 0.373 1.00 0.00 C ATOM 39 C SER A 5 22.055 20.043 -0.032 1.00 0.00 C ATOM 40 O SER A 5 22.928 19.875 -0.884 1.00 0.00 O ATOM 41 CB SER A 5 20.133 21.642 0.053 1.00 0.00 C ATOM 42 OG SER A 5 19.844 21.256 -1.280 1.00 0.00 O ATOM 0 H SER A 5 21.932 22.946 -1.059 1.00 0.00 H new ATOM 0 HA SER A 5 21.769 21.560 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.528 21.055 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.860 22.687 0.200 1.00 0.00 H new ATOM 0 HG SER A 5 18.890 21.388 -1.459 1.00 0.00 H new ATOM 48 N SER A 6 21.443 19.037 0.585 1.00 0.00 N ATOM 49 CA SER A 6 21.772 17.647 0.292 1.00 0.00 C ATOM 50 C SER A 6 20.733 17.027 -0.638 1.00 0.00 C ATOM 51 O SER A 6 20.138 15.997 -0.324 1.00 0.00 O ATOM 52 CB SER A 6 21.860 16.838 1.588 1.00 0.00 C ATOM 53 OG SER A 6 22.740 17.452 2.513 1.00 0.00 O ATOM 0 H SER A 6 20.717 19.159 1.291 1.00 0.00 H new ATOM 0 HA SER A 6 22.740 17.626 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.868 16.746 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.206 15.828 1.367 1.00 0.00 H new ATOM 0 HG SER A 6 22.778 16.917 3.333 1.00 0.00 H new ATOM 59 N GLY A 7 20.522 17.664 -1.786 1.00 0.00 N ATOM 60 CA GLY A 7 19.555 17.161 -2.745 1.00 0.00 C ATOM 61 C GLY A 7 18.195 16.914 -2.123 1.00 0.00 C ATOM 62 O GLY A 7 17.994 15.915 -1.432 1.00 0.00 O ATOM 0 H GLY A 7 21.003 18.518 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.453 17.875 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.927 16.232 -3.178 1.00 0.00 H new ATOM 66 N ILE A 8 17.261 17.827 -2.366 1.00 0.00 N ATOM 67 CA ILE A 8 15.913 17.702 -1.824 1.00 0.00 C ATOM 68 C ILE A 8 14.891 17.489 -2.935 1.00 0.00 C ATOM 69 O ILE A 8 15.189 17.681 -4.113 1.00 0.00 O ATOM 70 CB ILE A 8 15.517 18.949 -1.010 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.535 20.193 -1.900 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.453 19.126 0.177 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.533 21.247 -1.485 1.00 0.00 C ATOM 0 H ILE A 8 17.412 18.661 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 8 15.916 16.833 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 8 14.504 18.811 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.535 20.627 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 8 15.333 19.896 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 8 16.161 20.011 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.394 18.248 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 8 17.476 19.246 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.602 22.100 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.527 20.830 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.747 21.572 -0.467 1.00 0.00 H new ATOM 85 N GLY A 9 13.682 17.091 -2.550 1.00 0.00 N ATOM 86 CA GLY A 9 12.632 16.859 -3.525 1.00 0.00 C ATOM 87 C GLY A 9 11.248 17.094 -2.954 1.00 0.00 C ATOM 88 O GLY A 9 11.102 17.411 -1.774 1.00 0.00 O ATOM 0 H GLY A 9 13.411 16.925 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.784 17.516 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.701 15.835 -3.892 1.00 0.00 H new ATOM 92 N ASP A 10 10.229 16.939 -3.793 1.00 0.00 N ATOM 93 CA ASP A 10 8.849 17.137 -3.365 1.00 0.00 C ATOM 94 C ASP A 10 8.011 15.892 -3.642 1.00 0.00 C ATOM 95 O ASP A 10 7.570 15.667 -4.768 1.00 0.00 O ATOM 96 CB ASP A 10 8.240 18.346 -4.077 1.00 0.00 C ATOM 97 CG ASP A 10 8.465 19.638 -3.317 1.00 0.00 C ATOM 98 OD1 ASP A 10 9.609 20.141 -3.326 1.00 0.00 O ATOM 99 OD2 ASP A 10 7.497 20.148 -2.715 1.00 0.00 O ATOM 0 H ASP A 10 10.333 16.677 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 10 8.850 17.321 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.673 18.434 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.170 18.186 -4.208 1.00 0.00 H new ATOM 104 N ALA A 11 7.797 15.087 -2.606 1.00 0.00 N ATOM 105 CA ALA A 11 7.011 13.867 -2.738 1.00 0.00 C ATOM 106 C ALA A 11 5.621 14.165 -3.289 1.00 0.00 C ATOM 107 O ALA A 11 5.076 13.391 -4.075 1.00 0.00 O ATOM 108 CB ALA A 11 6.908 13.158 -1.395 1.00 0.00 C ATOM 0 H ALA A 11 8.157 15.258 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 11 7.520 13.212 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.318 12.248 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.907 12.901 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.425 13.816 -0.672 1.00 0.00 H new ATOM 114 N ARG A 12 5.053 15.292 -2.871 1.00 0.00 N ATOM 115 CA ARG A 12 3.726 15.691 -3.322 1.00 0.00 C ATOM 116 C ARG A 12 3.671 15.776 -4.844 1.00 0.00 C ATOM 117 O ARG A 12 2.612 15.603 -5.448 1.00 0.00 O ATOM 118 CB ARG A 12 3.340 17.039 -2.711 1.00 0.00 C ATOM 119 CG ARG A 12 4.245 18.183 -3.139 1.00 0.00 C ATOM 120 CD ARG A 12 3.961 19.447 -2.342 1.00 0.00 C ATOM 121 NE ARG A 12 4.320 20.653 -3.083 1.00 0.00 N ATOM 122 CZ ARG A 12 3.566 21.177 -4.044 1.00 0.00 C ATOM 123 NH1 ARG A 12 2.418 20.604 -4.377 1.00 0.00 N ATOM 124 NH2 ARG A 12 3.961 22.277 -4.672 1.00 0.00 N ATOM 0 H ARG A 12 5.492 15.944 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 12 3.015 14.933 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.313 17.275 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.363 16.956 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.287 17.894 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.104 18.382 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.903 19.482 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.518 19.418 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 12 5.197 21.119 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.111 19.759 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.841 21.008 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.843 22.721 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.382 22.679 -5.409 1.00 0.00 H new ATOM 138 N ARG A 13 4.819 16.044 -5.458 1.00 0.00 N ATOM 139 CA ARG A 13 4.902 16.154 -6.909 1.00 0.00 C ATOM 140 C ARG A 13 5.063 14.779 -7.551 1.00 0.00 C ATOM 141 O ARG A 13 4.724 14.584 -8.717 1.00 0.00 O ATOM 142 CB ARG A 13 6.072 17.055 -7.308 1.00 0.00 C ATOM 143 CG ARG A 13 5.858 18.520 -6.966 1.00 0.00 C ATOM 144 CD ARG A 13 5.062 19.234 -8.047 1.00 0.00 C ATOM 145 NE ARG A 13 5.926 19.789 -9.086 1.00 0.00 N ATOM 146 CZ ARG A 13 5.472 20.293 -10.228 1.00 0.00 C ATOM 147 NH1 ARG A 13 4.169 20.312 -10.476 1.00 0.00 N ATOM 148 NH2 ARG A 13 6.321 20.780 -11.124 1.00 0.00 N ATOM 0 H ARG A 13 5.704 16.189 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 13 3.973 16.597 -7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.976 16.703 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.241 16.962 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.333 18.600 -6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.823 19.010 -6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.355 18.537 -8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.476 20.035 -7.596 1.00 0.00 H new ATOM 0 HE ARG A 13 6.933 19.790 -8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.514 19.939 -9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.822 20.700 -11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.323 20.768 -10.936 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.971 21.167 -12.001 1.00 0.00 H new ATOM 162 N ALA A 14 5.583 13.829 -6.779 1.00 0.00 N ATOM 163 CA ALA A 14 5.787 12.473 -7.271 1.00 0.00 C ATOM 164 C ALA A 14 4.459 11.808 -7.618 1.00 0.00 C ATOM 165 O ALA A 14 3.541 11.766 -6.799 1.00 0.00 O ATOM 166 CB ALA A 14 6.540 11.645 -6.240 1.00 0.00 C ATOM 0 H ALA A 14 5.870 13.974 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 14 6.383 12.530 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.685 10.634 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.510 12.102 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.965 11.605 -5.315 1.00 0.00 H new ATOM 172 N LYS A 15 4.363 11.291 -8.838 1.00 0.00 N ATOM 173 CA LYS A 15 3.147 10.627 -9.295 1.00 0.00 C ATOM 174 C LYS A 15 3.387 9.135 -9.504 1.00 0.00 C ATOM 175 O LYS A 15 4.481 8.720 -9.887 1.00 0.00 O ATOM 176 CB LYS A 15 2.653 11.263 -10.596 1.00 0.00 C ATOM 177 CG LYS A 15 1.739 12.457 -10.382 1.00 0.00 C ATOM 178 CD LYS A 15 0.285 12.032 -10.261 1.00 0.00 C ATOM 179 CE LYS A 15 -0.658 13.143 -10.696 1.00 0.00 C ATOM 180 NZ LYS A 15 -0.539 14.344 -9.823 1.00 0.00 N ATOM 0 H LYS A 15 5.113 11.319 -9.529 1.00 0.00 H new ATOM 0 HA LYS A 15 2.385 10.749 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.514 11.577 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.123 10.511 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.040 12.989 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.848 13.153 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.112 11.146 -10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.071 11.754 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.441 13.421 -11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.685 12.778 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.244 15.053 -10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.704 14.071 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.415 14.748 -9.916 1.00 0.00 H new ATOM 194 N VAL A 16 2.357 8.334 -9.250 1.00 0.00 N ATOM 195 CA VAL A 16 2.456 6.888 -9.413 1.00 0.00 C ATOM 196 C VAL A 16 1.274 6.343 -10.208 1.00 0.00 C ATOM 197 O VAL A 16 0.122 6.476 -9.796 1.00 0.00 O ATOM 198 CB VAL A 16 2.517 6.173 -8.050 1.00 0.00 C ATOM 199 CG1 VAL A 16 3.814 6.509 -7.329 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.312 6.544 -7.199 1.00 0.00 C ATOM 0 H VAL A 16 1.445 8.661 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 16 3.379 6.693 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 16 2.493 5.097 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.840 5.995 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.661 6.188 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.872 7.585 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.372 6.030 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.302 7.621 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.398 6.247 -7.713 1.00 0.00 H new ATOM 210 N TYR A 17 1.569 5.730 -11.349 1.00 0.00 N ATOM 211 CA TYR A 17 0.531 5.166 -12.203 1.00 0.00 C ATOM 212 C TYR A 17 0.942 3.793 -12.725 1.00 0.00 C ATOM 213 O TYR A 17 2.055 3.610 -13.215 1.00 0.00 O ATOM 214 CB TYR A 17 0.240 6.104 -13.376 1.00 0.00 C ATOM 215 CG TYR A 17 1.473 6.787 -13.924 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.318 6.132 -14.811 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.792 8.089 -13.555 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.445 6.752 -15.314 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.916 8.717 -14.054 1.00 0.00 C ATOM 220 CZ TYR A 17 3.740 8.045 -14.932 1.00 0.00 C ATOM 221 OH TYR A 17 4.862 8.667 -15.432 1.00 0.00 O ATOM 0 H TYR A 17 2.518 5.611 -11.704 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.373 5.052 -11.605 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.236 5.536 -14.175 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.474 6.863 -13.055 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.090 5.120 -15.112 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.150 8.618 -12.866 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.092 6.228 -16.002 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.149 9.729 -13.758 1.00 0.00 H new ATOM 0 HH TYR A 17 4.704 9.633 -15.485 1.00 0.00 H new ATOM 231 N GLY A 18 0.031 2.829 -12.618 1.00 0.00 N ATOM 232 CA GLY A 18 0.316 1.484 -13.084 1.00 0.00 C ATOM 233 C GLY A 18 -0.825 0.524 -12.814 1.00 0.00 C ATOM 234 O GLY A 18 -1.994 0.905 -12.877 1.00 0.00 O ATOM 0 H GLY A 18 -0.898 2.956 -12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.520 1.509 -14.154 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.219 1.117 -12.596 1.00 0.00 H new ATOM 238 N ARG A 19 -0.486 -0.726 -12.515 1.00 0.00 N ATOM 239 CA ARG A 19 -1.491 -1.745 -12.239 1.00 0.00 C ATOM 240 C ARG A 19 -1.258 -2.382 -10.872 1.00 0.00 C ATOM 241 O ARG A 19 -2.202 -2.777 -10.190 1.00 0.00 O ATOM 242 CB ARG A 19 -1.470 -2.821 -13.325 1.00 0.00 C ATOM 243 CG ARG A 19 -2.414 -3.981 -13.053 1.00 0.00 C ATOM 244 CD ARG A 19 -2.330 -5.036 -14.145 1.00 0.00 C ATOM 245 NE ARG A 19 -3.268 -4.773 -15.233 1.00 0.00 N ATOM 246 CZ ARG A 19 -4.587 -4.761 -15.079 1.00 0.00 C ATOM 247 NH1 ARG A 19 -5.121 -4.996 -13.888 1.00 0.00 N ATOM 248 NH2 ARG A 19 -5.376 -4.514 -16.117 1.00 0.00 N ATOM 0 H ARG A 19 0.477 -1.057 -12.458 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.469 -1.263 -12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.733 -2.366 -14.280 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.455 -3.205 -13.424 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.171 -4.432 -12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.437 -3.610 -12.982 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.315 -5.068 -14.541 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.536 -6.017 -13.718 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.889 -4.588 -16.162 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.518 -5.187 -13.087 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.134 -4.986 -13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.970 -4.333 -17.035 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.389 -4.505 -15.997 1.00 0.00 H new ATOM 262 N GLY A 20 0.009 -2.479 -10.479 1.00 0.00 N ATOM 263 CA GLY A 20 0.344 -3.070 -9.196 1.00 0.00 C ATOM 264 C GLY A 20 0.206 -2.086 -8.051 1.00 0.00 C ATOM 265 O GLY A 20 0.782 -2.284 -6.980 1.00 0.00 O ATOM 0 H GLY A 20 0.809 -2.159 -11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.304 -3.928 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.367 -3.445 -9.228 1.00 0.00 H new ATOM 269 N LEU A 21 -0.556 -1.022 -8.276 1.00 0.00 N ATOM 270 CA LEU A 21 -0.766 -0.002 -7.255 1.00 0.00 C ATOM 271 C LEU A 21 -2.195 -0.050 -6.722 1.00 0.00 C ATOM 272 O LEU A 21 -2.427 0.102 -5.523 1.00 0.00 O ATOM 273 CB LEU A 21 -0.469 1.387 -7.824 1.00 0.00 C ATOM 274 CG LEU A 21 0.983 1.651 -8.224 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.132 3.053 -8.794 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.908 1.456 -7.033 1.00 0.00 C ATOM 0 H LEU A 21 -1.039 -0.843 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.083 -0.204 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.100 1.542 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.762 2.131 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 21 1.264 0.935 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.172 3.224 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.498 3.157 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.833 3.785 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.937 1.648 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.629 2.148 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.822 0.432 -6.669 1.00 0.00 H new ATOM 288 N SER A 22 -3.150 -0.265 -7.622 1.00 0.00 N ATOM 289 CA SER A 22 -4.556 -0.333 -7.243 1.00 0.00 C ATOM 290 C SER A 22 -4.987 -1.777 -7.009 1.00 0.00 C ATOM 291 O SER A 22 -5.354 -2.154 -5.897 1.00 0.00 O ATOM 292 CB SER A 22 -5.429 0.303 -8.327 1.00 0.00 C ATOM 293 OG SER A 22 -6.782 0.379 -7.913 1.00 0.00 O ATOM 0 H SER A 22 -2.975 -0.395 -8.618 1.00 0.00 H new ATOM 0 HA SER A 22 -4.683 0.220 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.059 1.302 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.358 -0.281 -9.244 1.00 0.00 H new ATOM 0 HG SER A 22 -7.319 0.791 -8.622 1.00 0.00 H new ATOM 299 N GLU A 23 -4.939 -2.581 -8.067 1.00 0.00 N ATOM 300 CA GLU A 23 -5.325 -3.984 -7.977 1.00 0.00 C ATOM 301 C GLU A 23 -4.146 -4.896 -8.307 1.00 0.00 C ATOM 302 O GLU A 23 -3.038 -4.427 -8.562 1.00 0.00 O ATOM 303 CB GLU A 23 -6.491 -4.277 -8.925 1.00 0.00 C ATOM 304 CG GLU A 23 -6.134 -4.123 -10.394 1.00 0.00 C ATOM 305 CD GLU A 23 -6.997 -4.983 -11.297 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.251 -6.151 -10.936 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.417 -4.489 -12.364 1.00 0.00 O ATOM 0 H GLU A 23 -4.637 -2.285 -8.995 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.640 -4.182 -6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.844 -5.293 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.318 -3.607 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.242 -3.077 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.087 -4.387 -10.539 1.00 0.00 H new ATOM 314 N GLY A 24 -4.395 -6.202 -8.299 1.00 0.00 N ATOM 315 CA GLY A 24 -3.345 -7.158 -8.598 1.00 0.00 C ATOM 316 C GLY A 24 -3.810 -8.594 -8.451 1.00 0.00 C ATOM 317 O GLY A 24 -4.964 -8.847 -8.106 1.00 0.00 O ATOM 0 H GLY A 24 -5.304 -6.615 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.990 -6.997 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.499 -6.983 -7.934 1.00 0.00 H new ATOM 321 N ARG A 25 -2.910 -9.535 -8.715 1.00 0.00 N ATOM 322 CA ARG A 25 -3.236 -10.953 -8.614 1.00 0.00 C ATOM 323 C ARG A 25 -2.014 -11.762 -8.190 1.00 0.00 C ATOM 324 O ARG A 25 -0.874 -11.346 -8.404 1.00 0.00 O ATOM 325 CB ARG A 25 -3.766 -11.473 -9.951 1.00 0.00 C ATOM 326 CG ARG A 25 -5.276 -11.365 -10.091 1.00 0.00 C ATOM 327 CD ARG A 25 -5.751 -11.903 -11.432 1.00 0.00 C ATOM 328 NE ARG A 25 -7.021 -11.308 -11.841 1.00 0.00 N ATOM 329 CZ ARG A 25 -7.656 -11.632 -12.962 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.143 -12.540 -13.780 1.00 0.00 N ATOM 331 NH2 ARG A 25 -8.807 -11.047 -13.266 1.00 0.00 N ATOM 0 H ARG A 25 -1.950 -9.342 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.009 -11.069 -7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.294 -10.917 -10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.472 -12.516 -10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.758 -11.918 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.578 -10.323 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.995 -11.702 -12.191 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.861 -12.986 -11.370 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.443 -10.606 -11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.258 -12.992 -13.550 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.633 -12.787 -14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.205 -10.348 -12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.294 -11.296 -14.127 1.00 0.00 H new ATOM 345 N THR A 26 -2.258 -12.921 -7.586 1.00 0.00 N ATOM 346 CA THR A 26 -1.179 -13.788 -7.130 1.00 0.00 C ATOM 347 C THR A 26 -0.387 -14.345 -8.307 1.00 0.00 C ATOM 348 O THR A 26 -0.890 -14.418 -9.429 1.00 0.00 O ATOM 349 CB THR A 26 -1.717 -14.960 -6.287 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.590 -15.773 -7.080 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.463 -14.448 -5.064 1.00 0.00 C ATOM 0 H THR A 26 -3.194 -13.281 -7.401 1.00 0.00 H new ATOM 0 HA THR A 26 -0.523 -13.176 -6.511 1.00 0.00 H new ATOM 0 HB THR A 26 -0.870 -15.558 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.927 -16.517 -6.538 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.834 -15.293 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.788 -13.854 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.303 -13.830 -5.382 1.00 0.00 H new ATOM 359 N PHE A 27 0.855 -14.739 -8.046 1.00 0.00 N ATOM 360 CA PHE A 27 1.717 -15.291 -9.084 1.00 0.00 C ATOM 361 C PHE A 27 1.646 -14.448 -10.355 1.00 0.00 C ATOM 362 O PHE A 27 1.818 -14.959 -11.461 1.00 0.00 O ATOM 363 CB PHE A 27 1.319 -16.735 -9.394 1.00 0.00 C ATOM 364 CG PHE A 27 1.446 -17.658 -8.216 1.00 0.00 C ATOM 365 CD1 PHE A 27 2.670 -17.845 -7.595 1.00 0.00 C ATOM 366 CD2 PHE A 27 0.341 -18.337 -7.729 1.00 0.00 C ATOM 367 CE1 PHE A 27 2.790 -18.694 -6.511 1.00 0.00 C ATOM 368 CE2 PHE A 27 0.455 -19.187 -6.645 1.00 0.00 C ATOM 369 CZ PHE A 27 1.681 -19.365 -6.035 1.00 0.00 C ATOM 0 H PHE A 27 1.287 -14.686 -7.124 1.00 0.00 H new ATOM 0 HA PHE A 27 2.743 -15.276 -8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.288 -16.751 -9.749 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.942 -17.109 -10.207 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.540 -17.321 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.620 -18.201 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.750 -18.832 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.414 -19.711 -6.275 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.772 -20.028 -5.187 1.00 0.00 H new ATOM 379 N GLU A 28 1.390 -13.154 -10.186 1.00 0.00 N ATOM 380 CA GLU A 28 1.294 -12.241 -11.319 1.00 0.00 C ATOM 381 C GLU A 28 2.186 -11.021 -11.111 1.00 0.00 C ATOM 382 O GLU A 28 1.964 -10.224 -10.199 1.00 0.00 O ATOM 383 CB GLU A 28 -0.156 -11.798 -11.523 1.00 0.00 C ATOM 384 CG GLU A 28 -0.311 -10.671 -12.531 1.00 0.00 C ATOM 385 CD GLU A 28 -0.442 -11.175 -13.955 1.00 0.00 C ATOM 386 OE1 GLU A 28 -1.229 -12.119 -14.180 1.00 0.00 O ATOM 387 OE2 GLU A 28 0.241 -10.626 -14.844 1.00 0.00 O ATOM 0 H GLU A 28 1.246 -12.715 -9.277 1.00 0.00 H new ATOM 0 HA GLU A 28 1.633 -12.770 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.746 -12.653 -11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.567 -11.478 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.191 -10.080 -12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.550 -10.007 -12.463 1.00 0.00 H new ATOM 394 N MET A 29 3.197 -10.882 -11.962 1.00 0.00 N ATOM 395 CA MET A 29 4.123 -9.759 -11.873 1.00 0.00 C ATOM 396 C MET A 29 3.398 -8.437 -12.106 1.00 0.00 C ATOM 397 O MET A 29 2.958 -8.148 -13.218 1.00 0.00 O ATOM 398 CB MET A 29 5.254 -9.920 -12.890 1.00 0.00 C ATOM 399 CG MET A 29 6.427 -8.984 -12.648 1.00 0.00 C ATOM 400 SD MET A 29 7.986 -9.653 -13.259 1.00 0.00 S ATOM 401 CE MET A 29 8.818 -10.034 -11.720 1.00 0.00 C ATOM 0 H MET A 29 3.396 -11.533 -12.721 1.00 0.00 H new ATOM 0 HA MET A 29 4.547 -9.749 -10.869 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.610 -10.950 -12.865 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.860 -9.744 -13.891 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.231 -8.028 -13.134 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.515 -8.786 -11.580 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.800 -10.457 -11.932 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.935 -9.122 -11.134 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.226 -10.755 -11.155 1.00 0.00 H new ATOM 411 N SER A 30 3.277 -7.639 -11.050 1.00 0.00 N ATOM 412 CA SER A 30 2.602 -6.350 -11.139 1.00 0.00 C ATOM 413 C SER A 30 3.580 -5.206 -10.889 1.00 0.00 C ATOM 414 O SER A 30 4.015 -4.981 -9.760 1.00 0.00 O ATOM 415 CB SER A 30 1.452 -6.282 -10.132 1.00 0.00 C ATOM 416 OG SER A 30 0.479 -7.275 -10.401 1.00 0.00 O ATOM 0 H SER A 30 3.638 -7.863 -10.123 1.00 0.00 H new ATOM 0 HA SER A 30 2.200 -6.247 -12.147 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.841 -6.414 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.989 -5.296 -10.170 1.00 0.00 H new ATOM 0 HG SER A 30 0.890 -8.162 -10.334 1.00 0.00 H new ATOM 422 N ASP A 31 3.922 -4.486 -11.952 1.00 0.00 N ATOM 423 CA ASP A 31 4.848 -3.364 -11.850 1.00 0.00 C ATOM 424 C ASP A 31 4.123 -2.040 -12.068 1.00 0.00 C ATOM 425 O ASP A 31 2.994 -2.011 -12.559 1.00 0.00 O ATOM 426 CB ASP A 31 5.979 -3.514 -12.869 1.00 0.00 C ATOM 427 CG ASP A 31 5.512 -4.151 -14.163 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.962 -3.424 -15.017 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.697 -5.375 -14.323 1.00 0.00 O ATOM 0 H ASP A 31 3.572 -4.659 -12.894 1.00 0.00 H new ATOM 0 HA ASP A 31 5.272 -3.365 -10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.404 -2.533 -13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.776 -4.119 -12.437 1.00 0.00 H new ATOM 434 N PHE A 32 4.779 -0.944 -11.699 1.00 0.00 N ATOM 435 CA PHE A 32 4.196 0.384 -11.852 1.00 0.00 C ATOM 436 C PHE A 32 5.279 1.425 -12.118 1.00 0.00 C ATOM 437 O PHE A 32 6.465 1.172 -11.902 1.00 0.00 O ATOM 438 CB PHE A 32 3.404 0.764 -10.599 1.00 0.00 C ATOM 439 CG PHE A 32 4.198 0.650 -9.330 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.960 1.714 -8.876 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.183 -0.522 -8.590 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.693 1.612 -7.709 1.00 0.00 C ATOM 443 CE2 PHE A 32 4.914 -0.630 -7.422 1.00 0.00 C ATOM 444 CZ PHE A 32 5.668 0.439 -6.980 1.00 0.00 C ATOM 0 H PHE A 32 5.714 -0.950 -11.292 1.00 0.00 H new ATOM 0 HA PHE A 32 3.520 0.361 -12.707 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.045 1.788 -10.703 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.525 0.124 -10.527 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.981 2.634 -9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.593 -1.360 -8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.285 2.448 -7.367 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.895 -1.549 -6.856 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.237 0.358 -6.066 1.00 0.00 H new ATOM 454 N ILE A 33 4.862 2.596 -12.587 1.00 0.00 N ATOM 455 CA ILE A 33 5.796 3.676 -12.882 1.00 0.00 C ATOM 456 C ILE A 33 5.818 4.706 -11.758 1.00 0.00 C ATOM 457 O ILE A 33 4.819 4.910 -11.068 1.00 0.00 O ATOM 458 CB ILE A 33 5.440 4.383 -14.203 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.954 3.573 -15.395 1.00 0.00 C ATOM 460 CG2 ILE A 33 6.018 5.790 -14.224 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.429 3.250 -15.315 1.00 0.00 C ATOM 0 H ILE A 33 3.884 2.821 -12.771 1.00 0.00 H new ATOM 0 HA ILE A 33 6.783 3.223 -12.976 1.00 0.00 H new ATOM 0 HB ILE A 33 4.355 4.456 -14.277 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.390 2.643 -15.462 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.761 4.130 -16.312 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.758 6.276 -15.164 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.608 6.364 -13.393 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.103 5.739 -14.130 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.724 2.675 -16.193 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.003 4.176 -15.279 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.625 2.666 -14.416 1.00 0.00 H new ATOM 473 N VAL A 34 6.965 5.354 -11.579 1.00 0.00 N ATOM 474 CA VAL A 34 7.117 6.366 -10.540 1.00 0.00 C ATOM 475 C VAL A 34 7.634 7.677 -11.121 1.00 0.00 C ATOM 476 O VAL A 34 8.828 7.826 -11.378 1.00 0.00 O ATOM 477 CB VAL A 34 8.079 5.893 -9.433 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.381 7.029 -8.468 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.496 4.697 -8.696 1.00 0.00 C ATOM 0 H VAL A 34 7.802 5.196 -12.140 1.00 0.00 H new ATOM 0 HA VAL A 34 6.129 6.528 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 34 9.015 5.583 -9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.062 6.677 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.844 7.854 -9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.454 7.372 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.189 4.376 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.545 4.977 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.336 3.879 -9.399 1.00 0.00 H new ATOM 489 N ASP A 35 6.726 8.625 -11.325 1.00 0.00 N ATOM 490 CA ASP A 35 7.089 9.926 -11.875 1.00 0.00 C ATOM 491 C ASP A 35 7.704 10.818 -10.800 1.00 0.00 C ATOM 492 O ASP A 35 7.012 11.282 -9.893 1.00 0.00 O ATOM 493 CB ASP A 35 5.862 10.609 -12.481 1.00 0.00 C ATOM 494 CG ASP A 35 5.980 12.120 -12.480 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.111 12.627 -12.633 1.00 0.00 O ATOM 496 OD2 ASP A 35 4.942 12.796 -12.326 1.00 0.00 O ATOM 0 H ASP A 35 5.733 8.517 -11.118 1.00 0.00 H new ATOM 0 HA ASP A 35 7.830 9.767 -12.658 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.723 10.259 -13.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.974 10.317 -11.921 1.00 0.00 H new ATOM 501 N THR A 36 9.008 11.053 -10.907 1.00 0.00 N ATOM 502 CA THR A 36 9.716 11.887 -9.944 1.00 0.00 C ATOM 503 C THR A 36 10.603 12.908 -10.648 1.00 0.00 C ATOM 504 O THR A 36 11.304 13.685 -10.001 1.00 0.00 O ATOM 505 CB THR A 36 10.583 11.037 -8.996 1.00 0.00 C ATOM 506 OG1 THR A 36 11.378 10.117 -9.752 1.00 0.00 O ATOM 507 CG2 THR A 36 9.715 10.272 -8.008 1.00 0.00 C ATOM 0 H THR A 36 9.595 10.677 -11.651 1.00 0.00 H new ATOM 0 HA THR A 36 8.958 12.410 -9.361 1.00 0.00 H new ATOM 0 HB THR A 36 11.236 11.708 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.927 9.582 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.350 9.679 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.133 10.976 -7.414 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.040 9.612 -8.552 1.00 0.00 H new ATOM 515 N ARG A 37 10.566 12.901 -11.976 1.00 0.00 N ATOM 516 CA ARG A 37 11.367 13.826 -12.768 1.00 0.00 C ATOM 517 C ARG A 37 10.919 15.267 -12.538 1.00 0.00 C ATOM 518 O ARG A 37 11.727 16.194 -12.589 1.00 0.00 O ATOM 519 CB ARG A 37 11.266 13.480 -14.254 1.00 0.00 C ATOM 520 CG ARG A 37 9.858 13.601 -14.813 1.00 0.00 C ATOM 521 CD ARG A 37 9.692 12.786 -16.086 1.00 0.00 C ATOM 522 NE ARG A 37 8.293 12.454 -16.346 1.00 0.00 N ATOM 523 CZ ARG A 37 7.856 11.963 -17.500 1.00 0.00 C ATOM 524 NH1 ARG A 37 8.704 11.747 -18.496 1.00 0.00 N ATOM 525 NH2 ARG A 37 6.568 11.686 -17.659 1.00 0.00 N ATOM 0 H ARG A 37 9.989 12.265 -12.526 1.00 0.00 H new ATOM 0 HA ARG A 37 12.405 13.731 -12.451 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.929 14.137 -14.817 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.622 12.461 -14.406 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.139 13.263 -14.067 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.636 14.648 -15.018 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.094 13.346 -16.930 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.274 11.868 -16.007 1.00 0.00 H new ATOM 0 HE ARG A 37 7.615 12.608 -15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.695 11.958 -18.377 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.366 11.370 -19.381 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.913 11.850 -16.895 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.233 11.309 -18.546 1.00 0.00 H new ATOM 539 N ASP A 38 9.627 15.445 -12.287 1.00 0.00 N ATOM 540 CA ASP A 38 9.071 16.773 -12.049 1.00 0.00 C ATOM 541 C ASP A 38 8.870 17.018 -10.557 1.00 0.00 C ATOM 542 O ASP A 38 8.128 17.916 -10.160 1.00 0.00 O ATOM 543 CB ASP A 38 7.741 16.932 -12.789 1.00 0.00 C ATOM 544 CG ASP A 38 7.435 18.378 -13.124 1.00 0.00 C ATOM 545 OD1 ASP A 38 8.291 19.244 -12.849 1.00 0.00 O ATOM 546 OD2 ASP A 38 6.338 18.644 -13.660 1.00 0.00 O ATOM 0 H ASP A 38 8.945 14.688 -12.243 1.00 0.00 H new ATOM 0 HA ASP A 38 9.779 17.510 -12.428 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.768 16.347 -13.708 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.936 16.526 -12.176 1.00 0.00 H new ATOM 551 N ALA A 39 9.535 16.213 -9.735 1.00 0.00 N ATOM 552 CA ALA A 39 9.430 16.344 -8.287 1.00 0.00 C ATOM 553 C ALA A 39 10.623 17.104 -7.717 1.00 0.00 C ATOM 554 O ALA A 39 10.459 18.037 -6.932 1.00 0.00 O ATOM 555 CB ALA A 39 9.318 14.971 -7.640 1.00 0.00 C ATOM 0 H ALA A 39 10.152 15.463 -10.047 1.00 0.00 H new ATOM 0 HA ALA A 39 8.528 16.914 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.240 15.084 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.430 14.463 -8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.203 14.382 -7.881 1.00 0.00 H new ATOM 561 N GLY A 40 11.824 16.698 -8.117 1.00 0.00 N ATOM 562 CA GLY A 40 13.027 17.352 -7.634 1.00 0.00 C ATOM 563 C GLY A 40 14.191 16.392 -7.491 1.00 0.00 C ATOM 564 O GLY A 40 14.701 15.871 -8.484 1.00 0.00 O ATOM 0 H GLY A 40 11.986 15.928 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.302 18.152 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.822 17.816 -6.669 1.00 0.00 H new ATOM 568 N TYR A 41 14.614 16.158 -6.254 1.00 0.00 N ATOM 569 CA TYR A 41 15.728 15.257 -5.985 1.00 0.00 C ATOM 570 C TYR A 41 15.484 14.454 -4.711 1.00 0.00 C ATOM 571 O TYR A 41 14.657 14.824 -3.878 1.00 0.00 O ATOM 572 CB TYR A 41 17.032 16.047 -5.860 1.00 0.00 C ATOM 573 CG TYR A 41 18.270 15.180 -5.883 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.881 14.839 -7.084 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.829 14.701 -4.705 1.00 0.00 C ATOM 576 CE1 TYR A 41 20.012 14.047 -7.110 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.961 13.909 -4.722 1.00 0.00 C ATOM 578 CZ TYR A 41 20.549 13.585 -5.927 1.00 0.00 C ATOM 579 OH TYR A 41 21.675 12.795 -5.948 1.00 0.00 O ATOM 0 H TYR A 41 14.202 16.580 -5.422 1.00 0.00 H new ATOM 0 HA TYR A 41 15.810 14.563 -6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.089 16.769 -6.675 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.014 16.616 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.464 15.200 -8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.371 14.952 -3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.474 13.791 -8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.383 13.546 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 41 21.924 12.556 -5.031 1.00 0.00 H new ATOM 589 N GLY A 42 16.211 13.350 -4.566 1.00 0.00 N ATOM 590 CA GLY A 42 16.060 12.510 -3.392 1.00 0.00 C ATOM 591 C GLY A 42 15.968 11.038 -3.739 1.00 0.00 C ATOM 592 O GLY A 42 15.802 10.677 -4.904 1.00 0.00 O ATOM 0 H GLY A 42 16.902 13.022 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.906 12.670 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.163 12.809 -2.849 1.00 0.00 H new ATOM 596 N GLY A 43 16.079 10.184 -2.726 1.00 0.00 N ATOM 597 CA GLY A 43 16.008 8.752 -2.951 1.00 0.00 C ATOM 598 C GLY A 43 14.639 8.183 -2.636 1.00 0.00 C ATOM 599 O GLY A 43 13.908 8.729 -1.808 1.00 0.00 O ATOM 0 H GLY A 43 16.217 10.458 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.257 8.538 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.756 8.253 -2.335 1.00 0.00 H new ATOM 603 N ILE A 44 14.289 7.085 -3.298 1.00 0.00 N ATOM 604 CA ILE A 44 12.998 6.443 -3.083 1.00 0.00 C ATOM 605 C ILE A 44 13.139 5.204 -2.207 1.00 0.00 C ATOM 606 O ILE A 44 14.096 4.441 -2.342 1.00 0.00 O ATOM 607 CB ILE A 44 12.340 6.043 -4.417 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.128 7.277 -5.297 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.019 5.333 -4.164 1.00 0.00 C ATOM 610 CD1 ILE A 44 11.947 6.950 -6.763 1.00 0.00 C ATOM 0 H ILE A 44 14.881 6.622 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 44 12.364 7.171 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 44 13.005 5.356 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.251 7.819 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 44 12.982 7.944 -5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.566 5.057 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.196 4.435 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.347 5.998 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.802 7.872 -7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.833 6.435 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.075 6.308 -6.888 1.00 0.00 H new ATOM 622 N SER A 45 12.179 5.007 -1.309 1.00 0.00 N ATOM 623 CA SER A 45 12.197 3.861 -0.409 1.00 0.00 C ATOM 624 C SER A 45 10.963 2.987 -0.617 1.00 0.00 C ATOM 625 O SER A 45 9.842 3.392 -0.308 1.00 0.00 O ATOM 626 CB SER A 45 12.264 4.329 1.046 1.00 0.00 C ATOM 627 OG SER A 45 13.529 4.897 1.341 1.00 0.00 O ATOM 0 H SER A 45 11.379 5.627 -1.186 1.00 0.00 H new ATOM 0 HA SER A 45 13.083 3.268 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.480 5.063 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.076 3.486 1.711 1.00 0.00 H new ATOM 0 HG SER A 45 13.546 5.190 2.276 1.00 0.00 H new ATOM 633 N LEU A 46 11.179 1.787 -1.143 1.00 0.00 N ATOM 634 CA LEU A 46 10.085 0.854 -1.393 1.00 0.00 C ATOM 635 C LEU A 46 10.076 -0.265 -0.357 1.00 0.00 C ATOM 636 O LEU A 46 11.119 -0.833 -0.032 1.00 0.00 O ATOM 637 CB LEU A 46 10.206 0.262 -2.799 1.00 0.00 C ATOM 638 CG LEU A 46 10.249 1.268 -3.949 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.870 0.637 -5.186 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.852 1.787 -4.257 1.00 0.00 C ATOM 0 H LEU A 46 12.101 1.437 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 46 9.147 1.403 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.111 -0.345 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.364 -0.410 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 46 10.869 2.112 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.893 1.367 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.886 0.315 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.277 -0.225 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.902 2.502 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.209 0.954 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.443 2.277 -3.374 1.00 0.00 H new ATOM 652 N ALA A 47 8.891 -0.578 0.158 1.00 0.00 N ATOM 653 CA ALA A 47 8.746 -1.632 1.154 1.00 0.00 C ATOM 654 C ALA A 47 7.339 -2.220 1.130 1.00 0.00 C ATOM 655 O ALA A 47 6.380 -1.578 1.560 1.00 0.00 O ATOM 656 CB ALA A 47 9.072 -1.096 2.540 1.00 0.00 C ATOM 0 H ALA A 47 8.018 -0.117 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 47 9.449 -2.428 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.960 -1.894 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.098 -0.730 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.392 -0.280 2.784 1.00 0.00 H new ATOM 662 N VAL A 48 7.222 -3.443 0.624 1.00 0.00 N ATOM 663 CA VAL A 48 5.932 -4.118 0.544 1.00 0.00 C ATOM 664 C VAL A 48 5.763 -5.117 1.682 1.00 0.00 C ATOM 665 O VAL A 48 6.478 -6.116 1.755 1.00 0.00 O ATOM 666 CB VAL A 48 5.765 -4.853 -0.799 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.445 -5.608 -0.834 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.858 -3.871 -1.958 1.00 0.00 C ATOM 0 H VAL A 48 8.005 -3.987 0.263 1.00 0.00 H new ATOM 0 HA VAL A 48 5.166 -3.347 0.625 1.00 0.00 H new ATOM 0 HB VAL A 48 6.573 -5.578 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.345 -6.121 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.422 -6.339 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.621 -4.906 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.738 -4.407 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.072 -3.122 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.831 -3.380 -1.942 1.00 0.00 H new ATOM 678 N GLU A 49 4.812 -4.841 2.569 1.00 0.00 N ATOM 679 CA GLU A 49 4.550 -5.717 3.705 1.00 0.00 C ATOM 680 C GLU A 49 3.172 -6.362 3.588 1.00 0.00 C ATOM 681 O GLU A 49 2.167 -5.786 4.004 1.00 0.00 O ATOM 682 CB GLU A 49 4.649 -4.934 5.016 1.00 0.00 C ATOM 683 CG GLU A 49 6.013 -4.307 5.249 1.00 0.00 C ATOM 684 CD GLU A 49 6.012 -3.318 6.398 1.00 0.00 C ATOM 685 OE1 GLU A 49 6.131 -3.759 7.560 1.00 0.00 O ATOM 686 OE2 GLU A 49 5.892 -2.103 6.135 1.00 0.00 O ATOM 0 H GLU A 49 4.211 -4.018 2.523 1.00 0.00 H new ATOM 0 HA GLU A 49 5.303 -6.505 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.893 -4.149 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.419 -5.602 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.740 -5.093 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.336 -3.801 4.339 1.00 0.00 H new ATOM 693 N GLY A 50 3.133 -7.563 3.018 1.00 0.00 N ATOM 694 CA GLY A 50 1.874 -8.266 2.855 1.00 0.00 C ATOM 695 C GLY A 50 1.853 -9.594 3.587 1.00 0.00 C ATOM 696 O GLY A 50 2.625 -9.826 4.518 1.00 0.00 O ATOM 0 H GLY A 50 3.951 -8.061 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.061 -7.639 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.691 -8.436 1.794 1.00 0.00 H new ATOM 700 N PRO A 51 0.951 -10.492 3.165 1.00 0.00 N ATOM 701 CA PRO A 51 0.810 -11.818 3.774 1.00 0.00 C ATOM 702 C PRO A 51 1.998 -12.724 3.472 1.00 0.00 C ATOM 703 O PRO A 51 2.052 -13.867 3.927 1.00 0.00 O ATOM 704 CB PRO A 51 -0.463 -12.371 3.128 1.00 0.00 C ATOM 705 CG PRO A 51 -0.569 -11.655 1.827 1.00 0.00 C ATOM 706 CD PRO A 51 -0.001 -10.283 2.062 1.00 0.00 C ATOM 0 HA PRO A 51 0.764 -11.764 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.397 -13.449 2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.336 -12.187 3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.015 -12.178 1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.606 -11.597 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.494 -9.895 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.778 -9.567 2.332 1.00 0.00 H new ATOM 714 N SER A 52 2.950 -12.207 2.701 1.00 0.00 N ATOM 715 CA SER A 52 4.137 -12.972 2.335 1.00 0.00 C ATOM 716 C SER A 52 5.232 -12.052 1.804 1.00 0.00 C ATOM 717 O SER A 52 5.017 -10.855 1.615 1.00 0.00 O ATOM 718 CB SER A 52 3.786 -14.026 1.283 1.00 0.00 C ATOM 719 OG SER A 52 4.823 -14.982 1.153 1.00 0.00 O ATOM 0 H SER A 52 2.923 -11.262 2.318 1.00 0.00 H new ATOM 0 HA SER A 52 4.508 -13.472 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.858 -14.527 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.611 -13.541 0.322 1.00 0.00 H new ATOM 0 HG SER A 52 4.574 -15.645 0.476 1.00 0.00 H new ATOM 725 N LYS A 53 6.409 -12.621 1.566 1.00 0.00 N ATOM 726 CA LYS A 53 7.541 -11.856 1.056 1.00 0.00 C ATOM 727 C LYS A 53 7.465 -11.719 -0.461 1.00 0.00 C ATOM 728 O LYS A 53 7.283 -12.706 -1.175 1.00 0.00 O ATOM 729 CB LYS A 53 8.857 -12.527 1.454 1.00 0.00 C ATOM 730 CG LYS A 53 10.019 -11.557 1.586 1.00 0.00 C ATOM 731 CD LYS A 53 9.952 -10.781 2.890 1.00 0.00 C ATOM 732 CE LYS A 53 11.042 -9.723 2.966 1.00 0.00 C ATOM 733 NZ LYS A 53 12.298 -10.262 3.558 1.00 0.00 N ATOM 0 H LYS A 53 6.604 -13.611 1.718 1.00 0.00 H new ATOM 0 HA LYS A 53 7.502 -10.859 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.718 -13.046 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.109 -13.283 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.960 -12.106 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.011 -10.861 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.975 -10.306 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.052 -11.469 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.247 -9.340 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.691 -8.882 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.016 -9.510 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.109 -10.604 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.648 -11.048 2.974 1.00 0.00 H new ATOM 747 N VAL A 54 7.608 -10.491 -0.948 1.00 0.00 N ATOM 748 CA VAL A 54 7.559 -10.226 -2.381 1.00 0.00 C ATOM 749 C VAL A 54 8.799 -9.469 -2.843 1.00 0.00 C ATOM 750 O VAL A 54 9.156 -8.436 -2.275 1.00 0.00 O ATOM 751 CB VAL A 54 6.305 -9.414 -2.759 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.077 -10.311 -2.787 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.109 -8.257 -1.791 1.00 0.00 C ATOM 0 H VAL A 54 7.759 -9.663 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 54 7.521 -11.194 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 54 6.447 -9.002 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.201 -9.720 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.221 -11.102 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.928 -10.754 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.219 -7.694 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.988 -8.645 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.979 -7.602 -1.826 1.00 0.00 H new ATOM 763 N ASP A 55 9.452 -9.989 -3.876 1.00 0.00 N ATOM 764 CA ASP A 55 10.653 -9.362 -4.416 1.00 0.00 C ATOM 765 C ASP A 55 10.317 -8.035 -5.089 1.00 0.00 C ATOM 766 O ASP A 55 9.202 -7.838 -5.574 1.00 0.00 O ATOM 767 CB ASP A 55 11.337 -10.296 -5.416 1.00 0.00 C ATOM 768 CG ASP A 55 10.424 -10.685 -6.562 1.00 0.00 C ATOM 769 OD1 ASP A 55 9.625 -11.629 -6.391 1.00 0.00 O ATOM 770 OD2 ASP A 55 10.508 -10.044 -7.630 1.00 0.00 O ATOM 0 H ASP A 55 9.170 -10.843 -4.357 1.00 0.00 H new ATOM 0 HA ASP A 55 11.335 -9.167 -3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.227 -9.809 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.670 -11.196 -4.899 1.00 0.00 H new ATOM 775 N ILE A 56 11.287 -7.127 -5.114 1.00 0.00 N ATOM 776 CA ILE A 56 11.093 -5.819 -5.727 1.00 0.00 C ATOM 777 C ILE A 56 12.254 -5.468 -6.651 1.00 0.00 C ATOM 778 O ILE A 56 13.367 -5.208 -6.194 1.00 0.00 O ATOM 779 CB ILE A 56 10.947 -4.715 -4.663 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.875 -5.100 -3.641 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.606 -3.387 -5.322 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.479 -3.964 -2.725 1.00 0.00 C ATOM 0 H ILE A 56 12.215 -7.273 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 56 10.173 -5.876 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 56 11.897 -4.606 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.991 -5.455 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.241 -5.931 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.506 -2.617 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.401 -3.110 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.667 -3.482 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.716 -4.308 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.352 -3.624 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.083 -3.140 -3.318 1.00 0.00 H new ATOM 794 N GLN A 57 11.985 -5.461 -7.953 1.00 0.00 N ATOM 795 CA GLN A 57 13.008 -5.141 -8.942 1.00 0.00 C ATOM 796 C GLN A 57 12.754 -3.771 -9.563 1.00 0.00 C ATOM 797 O GLN A 57 11.685 -3.519 -10.120 1.00 0.00 O ATOM 798 CB GLN A 57 13.044 -6.211 -10.034 1.00 0.00 C ATOM 799 CG GLN A 57 13.649 -7.528 -9.575 1.00 0.00 C ATOM 800 CD GLN A 57 13.660 -8.578 -10.669 1.00 0.00 C ATOM 801 OE1 GLN A 57 14.052 -8.304 -11.804 1.00 0.00 O ATOM 802 NE2 GLN A 57 13.229 -9.788 -10.333 1.00 0.00 N ATOM 0 H GLN A 57 11.068 -5.673 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 57 13.973 -5.117 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.029 -6.391 -10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.616 -5.834 -10.882 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.669 -7.355 -9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.086 -7.904 -8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.913 -9.971 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.214 -10.535 -11.027 1.00 0.00 H new ATOM 811 N THR A 58 13.743 -2.889 -9.465 1.00 0.00 N ATOM 812 CA THR A 58 13.627 -1.545 -10.016 1.00 0.00 C ATOM 813 C THR A 58 14.618 -1.329 -11.153 1.00 0.00 C ATOM 814 O THR A 58 15.578 -2.084 -11.303 1.00 0.00 O ATOM 815 CB THR A 58 13.862 -0.473 -8.935 1.00 0.00 C ATOM 816 OG1 THR A 58 15.221 -0.519 -8.486 1.00 0.00 O ATOM 817 CG2 THR A 58 12.925 -0.680 -7.755 1.00 0.00 C ATOM 0 H THR A 58 14.635 -3.082 -9.008 1.00 0.00 H new ATOM 0 HA THR A 58 12.611 -1.448 -10.400 1.00 0.00 H new ATOM 0 HB THR A 58 13.658 0.504 -9.373 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.362 0.167 -7.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.110 0.089 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.892 -0.614 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.102 -1.663 -7.318 1.00 0.00 H new ATOM 825 N GLU A 59 14.379 -0.294 -11.953 1.00 0.00 N ATOM 826 CA GLU A 59 15.252 0.020 -13.077 1.00 0.00 C ATOM 827 C GLU A 59 15.050 1.461 -13.537 1.00 0.00 C ATOM 828 O GLU A 59 13.947 1.854 -13.918 1.00 0.00 O ATOM 829 CB GLU A 59 14.988 -0.940 -14.240 1.00 0.00 C ATOM 830 CG GLU A 59 15.849 -0.667 -15.462 1.00 0.00 C ATOM 831 CD GLU A 59 15.983 -1.879 -16.363 1.00 0.00 C ATOM 832 OE1 GLU A 59 16.822 -2.753 -16.062 1.00 0.00 O ATOM 833 OE2 GLU A 59 15.248 -1.952 -17.370 1.00 0.00 O ATOM 0 H GLU A 59 13.588 0.341 -11.843 1.00 0.00 H new ATOM 0 HA GLU A 59 16.284 -0.096 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.163 -1.962 -13.904 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.938 -0.873 -14.524 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.417 0.157 -16.030 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.840 -0.347 -15.140 1.00 0.00 H new ATOM 840 N ASP A 60 16.123 2.244 -13.498 1.00 0.00 N ATOM 841 CA ASP A 60 16.065 3.641 -13.911 1.00 0.00 C ATOM 842 C ASP A 60 15.798 3.755 -15.409 1.00 0.00 C ATOM 843 O ASP A 60 16.604 3.315 -16.229 1.00 0.00 O ATOM 844 CB ASP A 60 17.371 4.354 -13.558 1.00 0.00 C ATOM 845 CG ASP A 60 17.580 5.616 -14.371 1.00 0.00 C ATOM 846 OD1 ASP A 60 16.970 6.651 -14.028 1.00 0.00 O ATOM 847 OD2 ASP A 60 18.354 5.571 -15.349 1.00 0.00 O ATOM 0 H ASP A 60 17.043 1.935 -13.185 1.00 0.00 H new ATOM 0 HA ASP A 60 15.243 4.118 -13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.369 4.605 -12.497 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.208 3.676 -13.724 1.00 0.00 H new ATOM 852 N LEU A 61 14.661 4.346 -15.758 1.00 0.00 N ATOM 853 CA LEU A 61 14.286 4.517 -17.158 1.00 0.00 C ATOM 854 C LEU A 61 14.944 5.759 -17.750 1.00 0.00 C ATOM 855 O LEU A 61 15.656 6.485 -17.058 1.00 0.00 O ATOM 856 CB LEU A 61 12.765 4.620 -17.290 1.00 0.00 C ATOM 857 CG LEU A 61 11.976 3.352 -16.964 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.489 3.575 -17.193 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.477 2.183 -17.800 1.00 0.00 C ATOM 0 H LEU A 61 13.983 4.715 -15.092 1.00 0.00 H new ATOM 0 HA LEU A 61 14.635 3.645 -17.711 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.417 5.419 -16.635 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.528 4.919 -18.311 1.00 0.00 H new ATOM 0 HG LEU A 61 12.129 3.112 -15.912 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.943 2.662 -16.956 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.139 4.384 -16.551 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.317 3.840 -18.236 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.904 1.289 -17.555 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.355 2.414 -18.858 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.531 2.008 -17.586 1.00 0.00 H new ATOM 871 N GLU A 62 14.699 5.997 -19.035 1.00 0.00 N ATOM 872 CA GLU A 62 15.268 7.152 -19.719 1.00 0.00 C ATOM 873 C GLU A 62 14.503 8.424 -19.367 1.00 0.00 C ATOM 874 O GLU A 62 15.077 9.511 -19.310 1.00 0.00 O ATOM 875 CB GLU A 62 15.250 6.935 -21.234 1.00 0.00 C ATOM 876 CG GLU A 62 16.362 6.028 -21.732 1.00 0.00 C ATOM 877 CD GLU A 62 17.741 6.532 -21.353 1.00 0.00 C ATOM 878 OE1 GLU A 62 18.139 7.603 -21.856 1.00 0.00 O ATOM 879 OE2 GLU A 62 18.421 5.856 -20.553 1.00 0.00 O ATOM 0 H GLU A 62 14.111 5.406 -19.622 1.00 0.00 H new ATOM 0 HA GLU A 62 16.300 7.266 -19.388 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.289 6.508 -21.520 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.330 7.901 -21.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.220 5.028 -21.323 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.297 5.941 -22.817 1.00 0.00 H new ATOM 886 N ASP A 63 13.203 8.280 -19.134 1.00 0.00 N ATOM 887 CA ASP A 63 12.358 9.416 -18.787 1.00 0.00 C ATOM 888 C ASP A 63 12.730 9.972 -17.416 1.00 0.00 C ATOM 889 O ASP A 63 12.196 10.992 -16.982 1.00 0.00 O ATOM 890 CB ASP A 63 10.884 9.007 -18.802 1.00 0.00 C ATOM 891 CG ASP A 63 10.485 8.329 -20.098 1.00 0.00 C ATOM 892 OD1 ASP A 63 11.070 7.275 -20.421 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.587 8.854 -20.790 1.00 0.00 O ATOM 0 H ASP A 63 12.712 7.387 -19.179 1.00 0.00 H new ATOM 0 HA ASP A 63 12.518 10.196 -19.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.688 8.333 -17.968 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.263 9.890 -18.651 1.00 0.00 H new ATOM 898 N GLY A 64 13.649 9.292 -16.737 1.00 0.00 N ATOM 899 CA GLY A 64 14.076 9.732 -15.421 1.00 0.00 C ATOM 900 C GLY A 64 13.175 9.216 -14.317 1.00 0.00 C ATOM 901 O GLY A 64 13.202 9.723 -13.195 1.00 0.00 O ATOM 0 H GLY A 64 14.105 8.445 -17.074 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.096 9.393 -15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.092 10.822 -15.393 1.00 0.00 H new ATOM 905 N THR A 65 12.372 8.205 -14.634 1.00 0.00 N ATOM 906 CA THR A 65 11.457 7.622 -13.661 1.00 0.00 C ATOM 907 C THR A 65 11.907 6.224 -13.252 1.00 0.00 C ATOM 908 O THR A 65 12.762 5.621 -13.903 1.00 0.00 O ATOM 909 CB THR A 65 10.022 7.545 -14.215 1.00 0.00 C ATOM 910 OG1 THR A 65 9.967 6.619 -15.306 1.00 0.00 O ATOM 911 CG2 THR A 65 9.548 8.913 -14.681 1.00 0.00 C ATOM 0 H THR A 65 12.337 7.773 -15.557 1.00 0.00 H new ATOM 0 HA THR A 65 11.467 8.274 -12.788 1.00 0.00 H new ATOM 0 HB THR A 65 9.365 7.203 -13.415 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.051 6.575 -15.651 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.532 8.834 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.563 9.609 -13.842 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.208 9.278 -15.467 1.00 0.00 H new ATOM 919 N CYS A 66 11.328 5.714 -12.171 1.00 0.00 N ATOM 920 CA CYS A 66 11.670 4.385 -11.675 1.00 0.00 C ATOM 921 C CYS A 66 10.474 3.444 -11.772 1.00 0.00 C ATOM 922 O CYS A 66 9.360 3.794 -11.381 1.00 0.00 O ATOM 923 CB CYS A 66 12.152 4.468 -10.226 1.00 0.00 C ATOM 924 SG CYS A 66 13.918 4.819 -10.054 1.00 0.00 S ATOM 0 H CYS A 66 10.620 6.200 -11.621 1.00 0.00 H new ATOM 0 HA CYS A 66 12.473 3.988 -12.296 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.586 5.244 -9.710 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.929 3.525 -9.726 1.00 0.00 H new ATOM 0 HG CYS A 66 14.229 4.872 -8.793 1.00 0.00 H new ATOM 930 N LYS A 67 10.711 2.247 -12.298 1.00 0.00 N ATOM 931 CA LYS A 67 9.655 1.253 -12.449 1.00 0.00 C ATOM 932 C LYS A 67 9.844 0.104 -11.463 1.00 0.00 C ATOM 933 O LYS A 67 10.857 -0.595 -11.497 1.00 0.00 O ATOM 934 CB LYS A 67 9.634 0.714 -13.880 1.00 0.00 C ATOM 935 CG LYS A 67 8.660 -0.434 -14.084 1.00 0.00 C ATOM 936 CD LYS A 67 8.956 -1.196 -15.365 1.00 0.00 C ATOM 937 CE LYS A 67 8.265 -0.562 -16.562 1.00 0.00 C ATOM 938 NZ LYS A 67 8.962 -0.884 -17.839 1.00 0.00 N ATOM 0 H LYS A 67 11.627 1.941 -12.627 1.00 0.00 H new ATOM 0 HA LYS A 67 8.702 1.737 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.375 1.525 -14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.637 0.381 -14.148 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.715 -1.114 -13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.642 -0.047 -14.117 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.032 -1.220 -15.535 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.627 -2.230 -15.259 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.234 -0.911 -16.613 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.229 0.519 -16.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.461 -0.434 -18.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.939 -0.529 -17.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.974 -1.915 -17.978 1.00 0.00 H new ATOM 952 N VAL A 68 8.862 -0.087 -10.588 1.00 0.00 N ATOM 953 CA VAL A 68 8.920 -1.153 -9.595 1.00 0.00 C ATOM 954 C VAL A 68 8.227 -2.413 -10.101 1.00 0.00 C ATOM 955 O VAL A 68 7.213 -2.340 -10.795 1.00 0.00 O ATOM 956 CB VAL A 68 8.269 -0.720 -8.268 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.419 -1.810 -7.219 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.873 0.588 -7.780 1.00 0.00 C ATOM 0 H VAL A 68 8.017 0.483 -10.547 1.00 0.00 H new ATOM 0 HA VAL A 68 9.975 -1.367 -9.421 1.00 0.00 H new ATOM 0 HB VAL A 68 7.205 -0.560 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.953 -1.486 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.934 -2.721 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.477 -2.005 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.401 0.879 -6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.944 0.458 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.707 1.366 -8.526 1.00 0.00 H new ATOM 968 N SER A 69 8.781 -3.569 -9.749 1.00 0.00 N ATOM 969 CA SER A 69 8.218 -4.846 -10.170 1.00 0.00 C ATOM 970 C SER A 69 8.280 -5.867 -9.037 1.00 0.00 C ATOM 971 O SER A 69 9.337 -6.091 -8.446 1.00 0.00 O ATOM 972 CB SER A 69 8.966 -5.379 -11.393 1.00 0.00 C ATOM 973 OG SER A 69 9.039 -4.398 -12.413 1.00 0.00 O ATOM 0 H SER A 69 9.619 -3.647 -9.173 1.00 0.00 H new ATOM 0 HA SER A 69 7.173 -4.685 -10.434 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.972 -5.683 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.461 -6.267 -11.773 1.00 0.00 H new ATOM 0 HG SER A 69 9.523 -4.762 -13.183 1.00 0.00 H new ATOM 979 N TYR A 70 7.141 -6.482 -8.741 1.00 0.00 N ATOM 980 CA TYR A 70 7.064 -7.477 -7.678 1.00 0.00 C ATOM 981 C TYR A 70 6.224 -8.675 -8.113 1.00 0.00 C ATOM 982 O TYR A 70 5.427 -8.583 -9.046 1.00 0.00 O ATOM 983 CB TYR A 70 6.470 -6.857 -6.412 1.00 0.00 C ATOM 984 CG TYR A 70 4.983 -6.597 -6.505 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.063 -7.571 -6.139 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.499 -5.375 -6.958 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.704 -7.337 -6.223 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.142 -5.133 -7.044 1.00 0.00 C ATOM 989 CZ TYR A 70 2.249 -6.117 -6.676 1.00 0.00 C ATOM 990 OH TYR A 70 0.896 -5.880 -6.760 1.00 0.00 O ATOM 0 H TYR A 70 6.258 -6.309 -9.222 1.00 0.00 H new ATOM 0 HA TYR A 70 8.076 -7.823 -7.465 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.662 -7.520 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.982 -5.918 -6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.416 -8.527 -5.783 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.196 -4.602 -7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.002 -8.106 -5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.782 -4.178 -7.398 1.00 0.00 H new ATOM 0 HH TYR A 70 0.743 -4.972 -7.096 1.00 0.00 H new ATOM 1000 N PHE A 71 6.410 -9.799 -7.429 1.00 0.00 N ATOM 1001 CA PHE A 71 5.671 -11.016 -7.743 1.00 0.00 C ATOM 1002 C PHE A 71 5.037 -11.607 -6.488 1.00 0.00 C ATOM 1003 O PHE A 71 5.687 -12.287 -5.694 1.00 0.00 O ATOM 1004 CB PHE A 71 6.597 -12.046 -8.393 1.00 0.00 C ATOM 1005 CG PHE A 71 5.865 -13.109 -9.162 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.235 -12.808 -10.358 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.809 -14.410 -8.688 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.560 -13.784 -11.066 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.136 -15.391 -9.392 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.512 -15.077 -10.584 1.00 0.00 C ATOM 0 H PHE A 71 7.066 -9.892 -6.654 1.00 0.00 H new ATOM 0 HA PHE A 71 4.876 -10.758 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.285 -11.532 -9.064 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.201 -12.519 -7.619 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.272 -11.799 -10.742 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.297 -14.660 -7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.070 -13.536 -11.996 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.098 -16.401 -9.011 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.988 -15.842 -11.138 1.00 0.00 H new ATOM 1020 N PRO A 72 3.735 -11.340 -6.302 1.00 0.00 N ATOM 1021 CA PRO A 72 2.983 -11.835 -5.145 1.00 0.00 C ATOM 1022 C PRO A 72 2.768 -13.344 -5.196 1.00 0.00 C ATOM 1023 O PRO A 72 2.695 -13.936 -6.274 1.00 0.00 O ATOM 1024 CB PRO A 72 1.645 -11.100 -5.251 1.00 0.00 C ATOM 1025 CG PRO A 72 1.503 -10.778 -6.699 1.00 0.00 C ATOM 1026 CD PRO A 72 2.897 -10.536 -7.207 1.00 0.00 C ATOM 0 HA PRO A 72 3.511 -11.655 -4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.822 -11.724 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.641 -10.196 -4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.029 -11.599 -7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.876 -9.898 -6.844 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.007 -10.853 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.161 -9.479 -7.167 1.00 0.00 H new ATOM 1034 N THR A 73 2.665 -13.963 -4.024 1.00 0.00 N ATOM 1035 CA THR A 73 2.458 -15.403 -3.935 1.00 0.00 C ATOM 1036 C THR A 73 1.192 -15.729 -3.152 1.00 0.00 C ATOM 1037 O THR A 73 0.508 -16.712 -3.439 1.00 0.00 O ATOM 1038 CB THR A 73 3.657 -16.102 -3.266 1.00 0.00 C ATOM 1039 OG1 THR A 73 3.944 -15.485 -2.007 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.887 -16.040 -4.159 1.00 0.00 C ATOM 0 H THR A 73 2.722 -13.489 -3.123 1.00 0.00 H new ATOM 0 HA THR A 73 2.355 -15.772 -4.956 1.00 0.00 H new ATOM 0 HB THR A 73 3.396 -17.148 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.706 -15.936 -1.588 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.720 -16.540 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.675 -16.537 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.148 -14.999 -4.347 1.00 0.00 H new ATOM 1048 N VAL A 74 0.884 -14.898 -2.161 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.302 -15.098 -1.337 1.00 0.00 C ATOM 1050 C VAL A 74 -1.216 -13.878 -1.384 1.00 0.00 C ATOM 1051 O VAL A 74 -0.781 -12.739 -1.211 1.00 0.00 O ATOM 1052 CB VAL A 74 0.075 -15.387 0.129 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -1.175 -15.585 0.972 1.00 0.00 C ATOM 1054 CG2 VAL A 74 0.984 -16.604 0.214 1.00 0.00 C ATOM 0 H VAL A 74 1.439 -14.080 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.830 -15.960 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 74 0.618 -14.528 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.889 -15.788 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.785 -14.683 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.748 -16.426 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.241 -16.794 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.469 -17.472 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.894 -16.419 -0.356 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.513 -14.120 -1.623 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.516 -13.054 -1.697 1.00 0.00 C ATOM 1066 C PRO A 75 -3.785 -12.414 -0.339 1.00 0.00 C ATOM 1067 O PRO A 75 -3.794 -13.094 0.687 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.767 -13.778 -2.204 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.581 -15.194 -1.781 1.00 0.00 C ATOM 1070 CD PRO A 75 -3.101 -15.453 -1.838 1.00 0.00 C ATOM 0 HA PRO A 75 -3.192 -12.234 -2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.673 -13.352 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.860 -13.697 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.967 -15.354 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.121 -15.873 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.787 -16.159 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.803 -15.873 -2.799 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.003 -11.103 -0.340 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.269 -10.394 0.898 1.00 0.00 C ATOM 1080 C GLY A 76 -4.158 -8.891 0.741 1.00 0.00 C ATOM 1081 O GLY A 76 -4.688 -8.317 -0.211 1.00 0.00 O ATOM 0 H GLY A 76 -4.000 -10.519 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.269 -10.646 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.568 -10.729 1.663 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.466 -8.249 1.678 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.287 -6.802 1.639 1.00 0.00 C ATOM 1087 C VAL A 77 -1.809 -6.431 1.661 1.00 0.00 C ATOM 1088 O VAL A 77 -1.148 -6.532 2.695 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.995 -6.118 2.824 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.632 -4.642 2.882 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.502 -6.300 2.721 1.00 0.00 C ATOM 0 H VAL A 77 -3.021 -8.708 2.473 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.732 -6.452 0.708 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.657 -6.588 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.141 -4.175 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.554 -4.537 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.940 -4.155 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.986 -5.811 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.859 -5.857 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.742 -7.363 2.732 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.296 -5.999 0.515 1.00 0.00 N ATOM 1102 CA TYR A 78 0.106 -5.614 0.401 1.00 0.00 C ATOM 1103 C TYR A 78 0.273 -4.108 0.578 1.00 0.00 C ATOM 1104 O TYR A 78 -0.258 -3.317 -0.203 1.00 0.00 O ATOM 1105 CB TYR A 78 0.666 -6.045 -0.955 1.00 0.00 C ATOM 1106 CG TYR A 78 0.869 -7.538 -1.081 1.00 0.00 C ATOM 1107 CD1 TYR A 78 2.038 -8.140 -0.633 1.00 0.00 C ATOM 1108 CD2 TYR A 78 -0.109 -8.346 -1.646 1.00 0.00 C ATOM 1109 CE1 TYR A 78 2.228 -9.504 -0.746 1.00 0.00 C ATOM 1110 CE2 TYR A 78 0.071 -9.711 -1.762 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.241 -10.285 -1.311 1.00 0.00 C ATOM 1112 OH TYR A 78 1.426 -11.644 -1.424 1.00 0.00 O ATOM 0 H TYR A 78 -1.830 -5.906 -0.349 1.00 0.00 H new ATOM 0 HA TYR A 78 0.661 -6.118 1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.012 -5.712 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.619 -5.542 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.812 -7.531 -0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.026 -7.900 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.144 -9.956 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.700 -10.325 -2.203 1.00 0.00 H new ATOM 0 HH TYR A 78 0.597 -12.062 -1.738 1.00 0.00 H new ATOM 1122 N ILE A 79 1.014 -3.719 1.610 1.00 0.00 N ATOM 1123 CA ILE A 79 1.253 -2.309 1.889 1.00 0.00 C ATOM 1124 C ILE A 79 2.509 -1.813 1.181 1.00 0.00 C ATOM 1125 O ILE A 79 3.628 -2.052 1.637 1.00 0.00 O ATOM 1126 CB ILE A 79 1.395 -2.050 3.401 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.105 -2.435 4.129 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.740 -0.591 3.659 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.078 -1.566 3.762 1.00 0.00 C ATOM 0 H ILE A 79 1.459 -4.361 2.266 1.00 0.00 H new ATOM 0 HA ILE A 79 0.387 -1.763 1.514 1.00 0.00 H new ATOM 0 HB ILE A 79 2.206 -2.668 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.134 -3.474 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.272 -2.373 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.837 -0.424 4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.682 -0.347 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.949 0.046 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.957 -1.896 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.859 -0.528 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.271 -1.647 2.692 1.00 0.00 H new ATOM 1141 N VAL A 80 2.317 -1.119 0.063 1.00 0.00 N ATOM 1142 CA VAL A 80 3.434 -0.587 -0.708 1.00 0.00 C ATOM 1143 C VAL A 80 3.853 0.785 -0.192 1.00 0.00 C ATOM 1144 O VAL A 80 3.269 1.804 -0.563 1.00 0.00 O ATOM 1145 CB VAL A 80 3.082 -0.476 -2.203 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.222 0.172 -2.974 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.752 -1.846 -2.775 1.00 0.00 C ATOM 0 H VAL A 80 1.398 -0.912 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 80 4.262 -1.285 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 80 2.201 0.157 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.955 0.242 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.406 1.171 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.123 -0.432 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.506 -1.749 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.613 -2.505 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.900 -2.268 -2.241 1.00 0.00 H new ATOM 1157 N SER A 81 4.869 0.805 0.665 1.00 0.00 N ATOM 1158 CA SER A 81 5.365 2.052 1.235 1.00 0.00 C ATOM 1159 C SER A 81 6.249 2.792 0.236 1.00 0.00 C ATOM 1160 O SER A 81 7.432 2.485 0.089 1.00 0.00 O ATOM 1161 CB SER A 81 6.148 1.775 2.519 1.00 0.00 C ATOM 1162 OG SER A 81 5.279 1.666 3.633 1.00 0.00 O ATOM 0 H SER A 81 5.365 -0.029 0.980 1.00 0.00 H new ATOM 0 HA SER A 81 4.507 2.682 1.470 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.720 0.854 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.866 2.577 2.691 1.00 0.00 H new ATOM 0 HG SER A 81 5.804 1.487 4.441 1.00 0.00 H new ATOM 1168 N THR A 82 5.665 3.770 -0.451 1.00 0.00 N ATOM 1169 CA THR A 82 6.398 4.554 -1.437 1.00 0.00 C ATOM 1170 C THR A 82 6.815 5.905 -0.866 1.00 0.00 C ATOM 1171 O THR A 82 5.987 6.798 -0.689 1.00 0.00 O ATOM 1172 CB THR A 82 5.559 4.784 -2.708 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.908 3.567 -3.092 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.432 5.280 -3.851 1.00 0.00 C ATOM 0 H THR A 82 4.687 4.037 -0.342 1.00 0.00 H new ATOM 0 HA THR A 82 7.289 3.982 -1.697 1.00 0.00 H new ATOM 0 HB THR A 82 4.809 5.544 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.375 3.722 -3.900 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.817 5.435 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.903 6.221 -3.567 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.202 4.540 -4.068 1.00 0.00 H new ATOM 1182 N LYS A 83 8.104 6.048 -0.580 1.00 0.00 N ATOM 1183 CA LYS A 83 8.633 7.291 -0.030 1.00 0.00 C ATOM 1184 C LYS A 83 9.608 7.945 -1.004 1.00 0.00 C ATOM 1185 O LYS A 83 10.254 7.265 -1.802 1.00 0.00 O ATOM 1186 CB LYS A 83 9.330 7.026 1.306 1.00 0.00 C ATOM 1187 CG LYS A 83 8.407 7.137 2.507 1.00 0.00 C ATOM 1188 CD LYS A 83 9.185 7.390 3.787 1.00 0.00 C ATOM 1189 CE LYS A 83 9.571 6.088 4.471 1.00 0.00 C ATOM 1190 NZ LYS A 83 10.890 5.583 3.999 1.00 0.00 N ATOM 0 H LYS A 83 8.803 5.318 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 83 7.798 7.972 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.768 6.028 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.152 7.732 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.696 7.947 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.828 6.219 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.084 7.964 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.584 7.995 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.606 6.241 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.805 5.336 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.828 4.559 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.152 6.067 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.613 5.770 4.723 1.00 0.00 H new ATOM 1204 N PHE A 84 9.712 9.268 -0.932 1.00 0.00 N ATOM 1205 CA PHE A 84 10.610 10.013 -1.806 1.00 0.00 C ATOM 1206 C PHE A 84 11.189 11.226 -1.085 1.00 0.00 C ATOM 1207 O PHE A 84 10.471 12.173 -0.765 1.00 0.00 O ATOM 1208 CB PHE A 84 9.870 10.461 -3.069 1.00 0.00 C ATOM 1209 CG PHE A 84 10.656 11.421 -3.915 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.624 10.960 -4.792 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.427 12.785 -3.833 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.349 11.841 -5.573 1.00 0.00 C ATOM 1213 CE2 PHE A 84 11.148 13.671 -4.611 1.00 0.00 C ATOM 1214 CZ PHE A 84 12.112 13.198 -5.481 1.00 0.00 C ATOM 0 H PHE A 84 9.185 9.846 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 84 11.432 9.355 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.621 9.583 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.928 10.929 -2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 84 11.815 9.900 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.676 13.160 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 84 13.100 11.468 -6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.958 14.732 -4.539 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.679 13.889 -6.088 1.00 0.00 H new ATOM 1224 N ALA A 85 12.493 11.190 -0.832 1.00 0.00 N ATOM 1225 CA ALA A 85 13.170 12.286 -0.150 1.00 0.00 C ATOM 1226 C ALA A 85 12.639 12.461 1.269 1.00 0.00 C ATOM 1227 O ALA A 85 12.381 13.580 1.712 1.00 0.00 O ATOM 1228 CB ALA A 85 13.009 13.578 -0.938 1.00 0.00 C ATOM 0 H ALA A 85 13.102 10.413 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 85 14.230 12.041 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.520 14.388 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.442 13.455 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.950 13.818 -1.032 1.00 0.00 H new ATOM 1234 N ASP A 86 12.478 11.348 1.976 1.00 0.00 N ATOM 1235 CA ASP A 86 11.979 11.378 3.346 1.00 0.00 C ATOM 1236 C ASP A 86 10.560 11.938 3.395 1.00 0.00 C ATOM 1237 O ASP A 86 10.219 12.712 4.289 1.00 0.00 O ATOM 1238 CB ASP A 86 12.902 12.218 4.230 1.00 0.00 C ATOM 1239 CG ASP A 86 14.354 11.794 4.118 1.00 0.00 C ATOM 1240 OD1 ASP A 86 14.661 10.633 4.461 1.00 0.00 O ATOM 1241 OD2 ASP A 86 15.182 12.623 3.686 1.00 0.00 O ATOM 0 H ASP A 86 12.686 10.414 1.623 1.00 0.00 H new ATOM 0 HA ASP A 86 11.961 10.355 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.811 13.268 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.581 12.134 5.268 1.00 0.00 H new ATOM 1246 N GLU A 87 9.739 11.542 2.427 1.00 0.00 N ATOM 1247 CA GLU A 87 8.359 12.006 2.360 1.00 0.00 C ATOM 1248 C GLU A 87 7.483 11.004 1.613 1.00 0.00 C ATOM 1249 O GLU A 87 7.765 10.649 0.468 1.00 0.00 O ATOM 1250 CB GLU A 87 8.290 13.372 1.673 1.00 0.00 C ATOM 1251 CG GLU A 87 8.657 14.531 2.583 1.00 0.00 C ATOM 1252 CD GLU A 87 8.349 15.880 1.963 1.00 0.00 C ATOM 1253 OE1 GLU A 87 9.178 16.370 1.168 1.00 0.00 O ATOM 1254 OE2 GLU A 87 7.280 16.446 2.273 1.00 0.00 O ATOM 0 H GLU A 87 10.006 10.902 1.679 1.00 0.00 H new ATOM 0 HA GLU A 87 7.985 12.100 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.959 13.371 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.281 13.527 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.115 14.435 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.719 14.479 2.821 1.00 0.00 H new ATOM 1261 N HIS A 88 6.421 10.550 2.271 1.00 0.00 N ATOM 1262 CA HIS A 88 5.504 9.588 1.670 1.00 0.00 C ATOM 1263 C HIS A 88 4.610 10.263 0.634 1.00 0.00 C ATOM 1264 O HIS A 88 4.028 11.316 0.893 1.00 0.00 O ATOM 1265 CB HIS A 88 4.644 8.929 2.750 1.00 0.00 C ATOM 1266 CG HIS A 88 5.248 7.681 3.317 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.922 6.417 2.871 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.164 7.508 4.298 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.610 5.521 3.555 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.372 6.157 4.428 1.00 0.00 N ATOM 0 H HIS A 88 6.174 10.832 3.220 1.00 0.00 H new ATOM 0 HA HIS A 88 6.097 8.822 1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.479 9.642 3.557 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.667 8.692 2.330 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.643 8.288 4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.559 4.450 3.423 1.00 0.00 H new ATOM 0 HE2 HIS A 88 7.010 5.716 5.090 1.00 0.00 H new ATOM 1279 N VAL A 89 4.508 9.651 -0.541 1.00 0.00 N ATOM 1280 CA VAL A 89 3.686 10.192 -1.617 1.00 0.00 C ATOM 1281 C VAL A 89 2.313 10.609 -1.102 1.00 0.00 C ATOM 1282 O VAL A 89 1.830 10.119 -0.081 1.00 0.00 O ATOM 1283 CB VAL A 89 3.507 9.170 -2.755 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.750 9.123 -3.631 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.190 7.794 -2.190 1.00 0.00 C ATOM 0 H VAL A 89 4.985 8.779 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 89 4.207 11.067 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 89 2.667 9.485 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.605 8.395 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.927 10.107 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.610 8.833 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.067 7.084 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.007 7.468 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.269 7.842 -1.610 1.00 0.00 H new ATOM 1295 N PRO A 90 1.667 11.536 -1.825 1.00 0.00 N ATOM 1296 CA PRO A 90 0.339 12.040 -1.461 1.00 0.00 C ATOM 1297 C PRO A 90 -0.751 10.990 -1.651 1.00 0.00 C ATOM 1298 O PRO A 90 -1.393 10.932 -2.699 1.00 0.00 O ATOM 1299 CB PRO A 90 0.128 13.211 -2.423 1.00 0.00 C ATOM 1300 CG PRO A 90 0.987 12.895 -3.599 1.00 0.00 C ATOM 1301 CD PRO A 90 2.183 12.164 -3.053 1.00 0.00 C ATOM 0 HA PRO A 90 0.283 12.320 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.919 13.303 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.417 14.157 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.450 12.280 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.289 13.805 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.556 11.421 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.008 12.845 -2.841 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.955 10.163 -0.631 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.968 9.127 -0.706 1.00 0.00 C ATOM 1311 C GLY A 91 -1.489 7.805 -0.140 1.00 0.00 C ATOM 1312 O GLY A 91 -2.219 6.814 -0.157 1.00 0.00 O ATOM 0 H GLY A 91 -0.436 10.192 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.855 9.451 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.264 8.987 -1.746 1.00 0.00 H new ATOM 1316 N SER A 92 -0.259 7.789 0.362 1.00 0.00 N ATOM 1317 CA SER A 92 0.319 6.577 0.931 1.00 0.00 C ATOM 1318 C SER A 92 -0.131 6.388 2.377 1.00 0.00 C ATOM 1319 O SER A 92 -0.599 7.317 3.035 1.00 0.00 O ATOM 1320 CB SER A 92 1.846 6.634 0.864 1.00 0.00 C ATOM 1321 OG SER A 92 2.329 6.006 -0.311 1.00 0.00 O ATOM 0 H SER A 92 0.357 8.602 0.386 1.00 0.00 H new ATOM 0 HA SER A 92 -0.032 5.727 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.176 7.673 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.270 6.146 1.742 1.00 0.00 H new ATOM 0 HG SER A 92 1.595 5.902 -0.952 1.00 0.00 H new ATOM 1327 N PRO A 93 0.015 5.155 2.884 1.00 0.00 N ATOM 1328 CA PRO A 93 0.571 4.041 2.110 1.00 0.00 C ATOM 1329 C PRO A 93 -0.368 3.580 1.001 1.00 0.00 C ATOM 1330 O PRO A 93 -1.489 4.074 0.877 1.00 0.00 O ATOM 1331 CB PRO A 93 0.747 2.936 3.155 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.252 3.253 4.214 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.353 4.753 4.252 1.00 0.00 C ATOM 0 HA PRO A 93 1.495 4.318 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.568 1.951 2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.760 2.928 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.218 2.802 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.064 2.859 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.360 5.081 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.322 5.182 4.992 1.00 0.00 H new ATOM 1341 N PHE A 94 0.095 2.629 0.196 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.704 2.102 -0.903 1.00 0.00 C ATOM 1343 C PHE A 94 -1.209 0.698 -0.584 1.00 0.00 C ATOM 1344 O PHE A 94 -0.425 -0.244 -0.458 1.00 0.00 O ATOM 1345 CB PHE A 94 0.118 2.079 -2.194 1.00 0.00 C ATOM 1346 CG PHE A 94 0.136 3.395 -2.916 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.369 4.575 -2.229 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.081 3.453 -4.284 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.386 5.789 -2.891 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.064 4.663 -4.951 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.168 5.832 -4.254 1.00 0.00 C ATOM 0 H PHE A 94 1.020 2.208 0.285 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.565 2.757 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.142 1.789 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.285 1.315 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.540 4.547 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.265 2.542 -4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.569 6.702 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.232 4.694 -6.017 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.179 6.779 -4.774 1.00 0.00 H new ATOM 1361 N THR A 95 -2.525 0.564 -0.453 1.00 0.00 N ATOM 1362 CA THR A 95 -3.136 -0.723 -0.147 1.00 0.00 C ATOM 1363 C THR A 95 -3.577 -1.439 -1.418 1.00 0.00 C ATOM 1364 O THR A 95 -4.588 -1.084 -2.024 1.00 0.00 O ATOM 1365 CB THR A 95 -4.352 -0.560 0.785 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.006 0.265 1.903 1.00 0.00 O ATOM 1367 CG2 THR A 95 -4.841 -1.913 1.279 1.00 0.00 C ATOM 0 H THR A 95 -3.189 1.332 -0.554 1.00 0.00 H new ATOM 0 HA THR A 95 -2.377 -1.321 0.358 1.00 0.00 H new ATOM 0 HB THR A 95 -5.154 -0.086 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.785 0.365 2.489 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.700 -1.772 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.132 -2.528 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.042 -2.410 1.829 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.812 -2.450 -1.818 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.124 -3.218 -3.017 1.00 0.00 C ATOM 1377 C VAL A 96 -3.888 -4.491 -2.671 1.00 0.00 C ATOM 1378 O VAL A 96 -3.350 -5.399 -2.037 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.847 -3.593 -3.792 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.199 -4.318 -5.083 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.014 -2.353 -4.078 1.00 0.00 C ATOM 0 H VAL A 96 -1.971 -2.756 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.748 -2.583 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.253 -4.267 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.284 -4.575 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.751 -5.228 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.814 -3.670 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.116 -2.637 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.598 -1.652 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.731 -1.880 -3.138 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.147 -4.552 -3.092 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.987 -5.714 -2.828 1.00 0.00 C ATOM 1393 C LYS A 97 -5.796 -6.778 -3.904 1.00 0.00 C ATOM 1394 O LYS A 97 -6.156 -6.573 -5.064 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.459 -5.301 -2.761 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.914 -4.895 -1.369 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.428 -4.913 -1.250 1.00 0.00 C ATOM 1398 CE LYS A 97 -9.913 -3.966 -0.163 1.00 0.00 C ATOM 1399 NZ LYS A 97 -11.328 -4.235 0.216 1.00 0.00 N ATOM 0 H LYS A 97 -5.608 -3.810 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.690 -6.135 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.626 -4.469 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.076 -6.129 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.482 -5.572 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.542 -3.896 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.872 -4.631 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.765 -5.926 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.276 -4.066 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.819 -2.937 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.621 -3.569 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.939 -4.115 -0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.413 -5.209 0.571 1.00 0.00 H new ATOM 1413 N ILE A 98 -5.229 -7.914 -3.513 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.992 -9.011 -4.444 1.00 0.00 C ATOM 1415 C ILE A 98 -6.166 -9.985 -4.454 1.00 0.00 C ATOM 1416 O ILE A 98 -6.682 -10.362 -3.403 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.705 -9.779 -4.094 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.495 -8.844 -4.150 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -3.516 -10.956 -5.040 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.309 -8.177 -5.495 1.00 0.00 C ATOM 0 H ILE A 98 -4.925 -8.099 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.882 -8.567 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.795 -10.165 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.604 -8.076 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.596 -9.411 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.602 -11.489 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.367 -11.632 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.444 -10.591 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.433 -7.529 -5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.168 -8.938 -6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.191 -7.582 -5.731 1.00 0.00 H new ATOM 1432 N SER A 99 -6.580 -10.390 -5.650 1.00 0.00 N ATOM 1433 CA SER A 99 -7.694 -11.319 -5.799 1.00 0.00 C ATOM 1434 C SER A 99 -7.278 -12.733 -5.407 1.00 0.00 C ATOM 1435 O SER A 99 -7.762 -13.284 -4.419 1.00 0.00 O ATOM 1436 CB SER A 99 -8.207 -11.308 -7.240 1.00 0.00 C ATOM 1437 OG SER A 99 -9.573 -11.679 -7.298 1.00 0.00 O ATOM 0 H SER A 99 -6.161 -10.089 -6.530 1.00 0.00 H new ATOM 0 HA SER A 99 -8.495 -10.996 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.079 -10.314 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.615 -11.994 -7.845 1.00 0.00 H new ATOM 0 HG SER A 99 -9.877 -11.662 -8.229 1.00 0.00 H new ATOM 1443 N GLY A 100 -6.375 -13.317 -6.190 1.00 0.00 N ATOM 1444 CA GLY A 100 -5.908 -14.661 -5.910 1.00 0.00 C ATOM 1445 C GLY A 100 -6.886 -15.723 -6.371 1.00 0.00 C ATOM 1446 O GLY A 100 -7.247 -15.775 -7.546 1.00 0.00 O ATOM 0 H GLY A 100 -5.959 -12.882 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.948 -14.818 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.739 -14.768 -4.838 1.00 0.00 H new ATOM 1450 N GLU A 101 -7.315 -16.574 -5.444 1.00 0.00 N ATOM 1451 CA GLU A 101 -8.256 -17.641 -5.763 1.00 0.00 C ATOM 1452 C GLU A 101 -9.536 -17.074 -6.370 1.00 0.00 C ATOM 1453 O GLU A 101 -10.487 -16.759 -5.656 1.00 0.00 O ATOM 1454 CB GLU A 101 -8.588 -18.451 -4.509 1.00 0.00 C ATOM 1455 CG GLU A 101 -7.422 -19.278 -3.992 1.00 0.00 C ATOM 1456 CD GLU A 101 -7.873 -20.513 -3.236 1.00 0.00 C ATOM 1457 OE1 GLU A 101 -8.735 -20.381 -2.342 1.00 0.00 O ATOM 1458 OE2 GLU A 101 -7.364 -21.612 -3.540 1.00 0.00 O ATOM 0 H GLU A 101 -7.026 -16.545 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.787 -18.297 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.916 -17.770 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.425 -19.115 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.795 -19.579 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.805 -18.661 -3.338 1.00 0.00 H new ATOM 1465 N GLY A 102 -9.552 -16.947 -7.693 1.00 0.00 N ATOM 1466 CA GLY A 102 -10.719 -16.417 -8.374 1.00 0.00 C ATOM 1467 C GLY A 102 -10.358 -15.641 -9.625 1.00 0.00 C ATOM 1468 O GLY A 102 -9.266 -15.081 -9.723 1.00 0.00 O ATOM 0 H GLY A 102 -8.777 -17.202 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.385 -17.238 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.269 -15.767 -7.693 1.00 0.00 H new ATOM 1472 N ARG A 103 -11.277 -15.608 -10.585 1.00 0.00 N ATOM 1473 CA ARG A 103 -11.048 -14.897 -11.837 1.00 0.00 C ATOM 1474 C ARG A 103 -12.366 -14.416 -12.437 1.00 0.00 C ATOM 1475 O ARG A 103 -13.331 -15.176 -12.532 1.00 0.00 O ATOM 1476 CB ARG A 103 -10.320 -15.799 -12.835 1.00 0.00 C ATOM 1477 CG ARG A 103 -10.021 -15.122 -14.162 1.00 0.00 C ATOM 1478 CD ARG A 103 -9.338 -16.074 -15.132 1.00 0.00 C ATOM 1479 NE ARG A 103 -9.175 -15.482 -16.457 1.00 0.00 N ATOM 1480 CZ ARG A 103 -10.140 -15.443 -17.369 1.00 0.00 C ATOM 1481 NH1 ARG A 103 -11.331 -15.958 -17.100 1.00 0.00 N ATOM 1482 NH2 ARG A 103 -9.914 -14.886 -18.552 1.00 0.00 N ATOM 0 H ARG A 103 -12.186 -16.065 -10.520 1.00 0.00 H new ATOM 0 HA ARG A 103 -10.426 -14.027 -11.624 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.384 -16.137 -12.390 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.925 -16.687 -13.018 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.949 -14.756 -14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.384 -14.254 -13.993 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.361 -16.354 -14.738 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.923 -16.990 -15.214 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.270 -15.076 -16.695 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.508 -16.386 -16.191 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.070 -15.927 -17.802 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.999 -14.487 -18.762 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.655 -14.856 -19.252 1.00 0.00 H new ATOM 1496 N VAL A 104 -12.400 -13.150 -12.841 1.00 0.00 N ATOM 1497 CA VAL A 104 -13.599 -12.568 -13.433 1.00 0.00 C ATOM 1498 C VAL A 104 -14.054 -13.367 -14.649 1.00 0.00 C ATOM 1499 O VAL A 104 -13.257 -13.684 -15.532 1.00 0.00 O ATOM 1500 CB VAL A 104 -13.364 -11.105 -13.852 1.00 0.00 C ATOM 1501 CG1 VAL A 104 -13.143 -10.228 -12.628 1.00 0.00 C ATOM 1502 CG2 VAL A 104 -12.185 -11.007 -14.808 1.00 0.00 C ATOM 0 H VAL A 104 -11.611 -12.508 -12.769 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.377 -12.599 -12.670 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.253 -10.747 -14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.979 -9.198 -12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.021 -10.275 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.271 -10.583 -12.079 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.034 -9.966 -15.094 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.287 -11.383 -14.318 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.388 -11.602 -15.699 1.00 0.00 H new ATOM 1512 N LYS A 105 -15.343 -13.688 -14.690 1.00 0.00 N ATOM 1513 CA LYS A 105 -15.907 -14.448 -15.799 1.00 0.00 C ATOM 1514 C LYS A 105 -16.195 -13.540 -16.990 1.00 0.00 C ATOM 1515 O LYS A 105 -17.178 -12.799 -16.995 1.00 0.00 O ATOM 1516 CB LYS A 105 -17.192 -15.153 -15.359 1.00 0.00 C ATOM 1517 CG LYS A 105 -16.952 -16.501 -14.701 1.00 0.00 C ATOM 1518 CD LYS A 105 -18.260 -17.203 -14.374 1.00 0.00 C ATOM 1519 CE LYS A 105 -18.018 -18.575 -13.765 1.00 0.00 C ATOM 1520 NZ LYS A 105 -19.260 -19.397 -13.739 1.00 0.00 N ATOM 0 H LYS A 105 -16.017 -13.433 -13.968 1.00 0.00 H new ATOM 0 HA LYS A 105 -15.175 -15.196 -16.104 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.730 -14.509 -14.663 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -17.836 -15.292 -16.227 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.357 -17.129 -15.363 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.374 -16.363 -13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -18.838 -16.593 -13.680 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -18.856 -17.306 -15.281 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.250 -19.096 -14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.637 -18.460 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -19.054 -20.325 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -19.985 -18.912 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -19.610 -19.529 -14.710 1.00 0.00 H new ATOM 1534 N SER A 106 -15.333 -13.605 -18.000 1.00 0.00 N ATOM 1535 CA SER A 106 -15.494 -12.786 -19.196 1.00 0.00 C ATOM 1536 C SER A 106 -16.018 -13.622 -20.360 1.00 0.00 C ATOM 1537 O SER A 106 -15.534 -14.724 -20.615 1.00 0.00 O ATOM 1538 CB SER A 106 -14.162 -12.137 -19.579 1.00 0.00 C ATOM 1539 OG SER A 106 -13.115 -13.092 -19.590 1.00 0.00 O ATOM 0 H SER A 106 -14.516 -14.216 -18.014 1.00 0.00 H new ATOM 0 HA SER A 106 -16.221 -12.004 -18.976 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.248 -11.675 -20.563 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.925 -11.341 -18.873 1.00 0.00 H new ATOM 0 HG SER A 106 -12.275 -12.653 -19.839 1.00 0.00 H new ATOM 1545 N GLY A 107 -17.013 -13.089 -21.062 1.00 0.00 N ATOM 1546 CA GLY A 107 -17.588 -13.798 -22.190 1.00 0.00 C ATOM 1547 C GLY A 107 -17.807 -12.898 -23.390 1.00 0.00 C ATOM 1548 O GLY A 107 -18.938 -12.561 -23.743 1.00 0.00 O ATOM 0 H GLY A 107 -17.431 -12.179 -20.870 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -16.930 -14.620 -22.472 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.539 -14.238 -21.892 1.00 0.00 H new ATOM 1552 N PRO A 108 -16.705 -12.492 -24.040 1.00 0.00 N ATOM 1553 CA PRO A 108 -16.756 -11.620 -25.216 1.00 0.00 C ATOM 1554 C PRO A 108 -17.335 -12.326 -26.438 1.00 0.00 C ATOM 1555 O PRO A 108 -17.578 -11.702 -27.470 1.00 0.00 O ATOM 1556 CB PRO A 108 -15.288 -11.258 -25.453 1.00 0.00 C ATOM 1557 CG PRO A 108 -14.519 -12.384 -24.853 1.00 0.00 C ATOM 1558 CD PRO A 108 -15.326 -12.855 -23.675 1.00 0.00 C ATOM 0 HA PRO A 108 -17.402 -10.757 -25.055 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -15.073 -11.154 -26.516 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -15.033 -10.309 -24.982 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -14.377 -13.188 -25.575 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -13.527 -12.057 -24.541 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.221 -13.929 -23.519 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -15.013 -12.367 -22.752 1.00 0.00 H new ATOM 1566 N SER A 109 -17.552 -13.631 -26.313 1.00 0.00 N ATOM 1567 CA SER A 109 -18.099 -14.423 -27.408 1.00 0.00 C ATOM 1568 C SER A 109 -19.156 -13.633 -28.174 1.00 0.00 C ATOM 1569 O SER A 109 -20.233 -13.347 -27.652 1.00 0.00 O ATOM 1570 CB SER A 109 -18.705 -15.722 -26.873 1.00 0.00 C ATOM 1571 OG SER A 109 -19.800 -15.458 -26.013 1.00 0.00 O ATOM 0 H SER A 109 -17.357 -14.162 -25.464 1.00 0.00 H new ATOM 0 HA SER A 109 -17.285 -14.665 -28.091 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.034 -16.343 -27.706 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.944 -16.287 -26.335 1.00 0.00 H new ATOM 0 HG SER A 109 -20.193 -14.590 -26.241 1.00 0.00 H new ATOM 1577 N SER A 110 -18.839 -13.285 -29.417 1.00 0.00 N ATOM 1578 CA SER A 110 -19.759 -12.525 -30.256 1.00 0.00 C ATOM 1579 C SER A 110 -20.937 -13.390 -30.692 1.00 0.00 C ATOM 1580 O SER A 110 -20.814 -14.607 -30.821 1.00 0.00 O ATOM 1581 CB SER A 110 -19.029 -11.980 -31.485 1.00 0.00 C ATOM 1582 OG SER A 110 -19.680 -10.830 -31.996 1.00 0.00 O ATOM 0 H SER A 110 -17.953 -13.517 -29.865 1.00 0.00 H new ATOM 0 HA SER A 110 -20.142 -11.690 -29.669 1.00 0.00 H new ATOM 0 HB2 SER A 110 -18.001 -11.733 -31.221 1.00 0.00 H new ATOM 0 HB3 SER A 110 -18.984 -12.749 -32.256 1.00 0.00 H new ATOM 0 HG SER A 110 -19.193 -10.500 -32.780 1.00 0.00 H new ATOM 1588 N GLY A 111 -22.081 -12.750 -30.918 1.00 0.00 N ATOM 1589 CA GLY A 111 -23.266 -13.475 -31.336 1.00 0.00 C ATOM 1590 C GLY A 111 -24.539 -12.682 -31.118 1.00 0.00 C ATOM 1591 O GLY A 111 -25.067 -12.636 -30.007 1.00 0.00 O ATOM 0 H GLY A 111 -22.208 -11.743 -30.819 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -23.178 -13.731 -32.392 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -23.327 -14.413 -30.785 1.00 0.00 H new TER 1595 GLY A 111