USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 11 THR OG1 : rot 168:sc= -6.94! USER MOD Set 1.2: A 58 THR OG1 : rot -140:sc= -2.6! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.826 USER MOD Single : A 17 SER OG : rot 130:sc= 0.174 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 53:sc= 0.0529 USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= -10.7! (180deg=-10.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -3.1 X(o=-3.1,f=-3.4!) USER MOD Single : A 43 ASN : amide:sc= -2.7! C(o=-2.7!,f=-5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 92:sc= 0.0419 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -9.74! C(o=-9.7!,f=-9.4!) USER MOD Single : A 62 THR OG1 : rot -160:sc= -2.21! USER MOD Single : A 70 SER OG : rot 73:sc= 0.00326 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.223) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 4 11.984 1.218 8.242 1.00 0.00 N ATOM 38 CA PRO A 4 12.538 0.976 6.899 1.00 0.00 C ATOM 39 C PRO A 4 11.612 0.046 6.121 1.00 0.00 C ATOM 40 O PRO A 4 11.677 -0.044 4.911 1.00 0.00 O ATOM 41 CB PRO A 4 13.899 0.326 7.151 1.00 0.00 C ATOM 42 CG PRO A 4 13.825 -0.289 8.562 1.00 0.00 C ATOM 43 CD PRO A 4 12.666 0.417 9.287 1.00 0.00 C ATOM 0 HA PRO A 4 12.635 1.886 6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.110 -0.439 6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.700 1.063 7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.651 -1.364 8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.763 -0.144 9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.985 -0.305 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.034 1.052 10.093 1.00 0.00 H new ATOM 51 N SER A 5 10.731 -0.627 6.804 1.00 0.00 N ATOM 52 CA SER A 5 9.782 -1.524 6.099 1.00 0.00 C ATOM 53 C SER A 5 8.978 -0.695 5.120 1.00 0.00 C ATOM 54 O SER A 5 9.067 0.516 5.088 1.00 0.00 O ATOM 55 CB SER A 5 8.841 -2.182 7.108 1.00 0.00 C ATOM 56 OG SER A 5 8.562 -3.512 6.690 1.00 0.00 O ATOM 0 H SER A 5 10.628 -0.594 7.818 1.00 0.00 H new ATOM 0 HA SER A 5 10.330 -2.304 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.297 -2.187 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.916 -1.611 7.186 1.00 0.00 H new ATOM 0 HG SER A 5 7.960 -3.938 7.335 1.00 0.00 H new ATOM 62 N VAL A 6 8.201 -1.339 4.317 1.00 0.00 N ATOM 63 CA VAL A 6 7.391 -0.602 3.323 1.00 0.00 C ATOM 64 C VAL A 6 6.075 -0.147 3.949 1.00 0.00 C ATOM 65 O VAL A 6 5.113 0.089 3.264 1.00 0.00 O ATOM 66 CB VAL A 6 7.109 -1.519 2.154 1.00 0.00 C ATOM 67 CG1 VAL A 6 8.365 -1.664 1.295 1.00 0.00 C ATOM 68 CG2 VAL A 6 6.684 -2.886 2.681 1.00 0.00 C ATOM 0 H VAL A 6 8.089 -2.353 4.303 1.00 0.00 H new ATOM 0 HA VAL A 6 7.938 0.279 2.986 1.00 0.00 H new ATOM 0 HB VAL A 6 6.310 -1.098 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.156 -2.326 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.665 -0.685 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.171 -2.085 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.479 -3.552 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.484 -3.306 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.784 -2.779 3.287 1.00 0.00 H new ATOM 78 N THR A 7 6.043 0.006 5.239 1.00 0.00 N ATOM 79 CA THR A 7 4.821 0.486 5.921 1.00 0.00 C ATOM 80 C THR A 7 5.037 1.969 6.201 1.00 0.00 C ATOM 81 O THR A 7 4.143 2.779 6.054 1.00 0.00 O ATOM 82 CB THR A 7 4.620 -0.274 7.234 1.00 0.00 C ATOM 83 OG1 THR A 7 5.670 0.051 8.134 1.00 0.00 O ATOM 84 CG2 THR A 7 4.626 -1.779 6.960 1.00 0.00 C ATOM 0 H THR A 7 6.830 -0.186 5.859 1.00 0.00 H new ATOM 0 HA THR A 7 3.935 0.325 5.306 1.00 0.00 H new ATOM 0 HB THR A 7 3.664 0.009 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.541 -0.434 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.483 -2.320 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.819 -2.027 6.271 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.581 -2.065 6.518 1.00 0.00 H new ATOM 92 N GLU A 8 6.247 2.338 6.552 1.00 0.00 N ATOM 93 CA GLU A 8 6.541 3.774 6.777 1.00 0.00 C ATOM 94 C GLU A 8 6.675 4.424 5.400 1.00 0.00 C ATOM 95 O GLU A 8 6.710 5.629 5.262 1.00 0.00 O ATOM 96 CB GLU A 8 7.852 3.920 7.553 1.00 0.00 C ATOM 97 CG GLU A 8 8.126 5.398 7.840 1.00 0.00 C ATOM 98 CD GLU A 8 9.634 5.653 7.807 1.00 0.00 C ATOM 99 OE1 GLU A 8 10.316 4.957 7.073 1.00 0.00 O ATOM 100 OE2 GLU A 8 10.082 6.539 8.516 1.00 0.00 O ATOM 0 H GLU A 8 7.034 1.704 6.690 1.00 0.00 H new ATOM 0 HA GLU A 8 5.749 4.249 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.795 3.364 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.674 3.494 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.625 6.022 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.721 5.671 8.815 1.00 0.00 H new ATOM 107 N LEU A 9 6.737 3.609 4.374 1.00 0.00 N ATOM 108 CA LEU A 9 6.850 4.131 2.990 1.00 0.00 C ATOM 109 C LEU A 9 5.483 4.011 2.319 1.00 0.00 C ATOM 110 O LEU A 9 4.970 4.955 1.764 1.00 0.00 O ATOM 111 CB LEU A 9 7.863 3.290 2.209 1.00 0.00 C ATOM 112 CG LEU A 9 8.968 2.808 3.148 1.00 0.00 C ATOM 113 CD1 LEU A 9 9.932 1.905 2.377 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.729 4.014 3.699 1.00 0.00 C ATOM 0 H LEU A 9 6.713 2.592 4.446 1.00 0.00 H new ATOM 0 HA LEU A 9 7.178 5.170 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.364 2.436 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.293 3.880 1.400 1.00 0.00 H new ATOM 0 HG LEU A 9 8.527 2.249 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.721 1.560 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.389 1.046 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.374 2.464 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.518 3.671 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.171 4.573 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.042 4.658 4.247 1.00 0.00 H new ATOM 126 N ILE A 10 4.893 2.847 2.375 1.00 0.00 N ATOM 127 CA ILE A 10 3.558 2.647 1.744 1.00 0.00 C ATOM 128 C ILE A 10 2.526 3.509 2.469 1.00 0.00 C ATOM 129 O ILE A 10 2.097 4.528 1.970 1.00 0.00 O ATOM 130 CB ILE A 10 3.160 1.164 1.835 1.00 0.00 C ATOM 131 CG1 ILE A 10 3.968 0.364 0.795 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.670 0.998 1.558 1.00 0.00 C ATOM 133 CD1 ILE A 10 3.321 -1.008 0.517 1.00 0.00 C ATOM 0 H ILE A 10 5.281 2.023 2.833 1.00 0.00 H new ATOM 0 HA ILE A 10 3.600 2.938 0.694 1.00 0.00 H new ATOM 0 HB ILE A 10 3.373 0.796 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.034 0.932 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.987 0.222 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.403 -0.057 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.098 1.565 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.443 1.366 0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.915 -1.548 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.279 -1.584 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.311 -0.863 0.134 1.00 0.00 H new ATOM 145 N THR A 11 2.125 3.101 3.643 1.00 0.00 N ATOM 146 CA THR A 11 1.119 3.889 4.414 1.00 0.00 C ATOM 147 C THR A 11 1.445 5.381 4.256 1.00 0.00 C ATOM 148 O THR A 11 0.572 6.212 4.159 1.00 0.00 O ATOM 149 CB THR A 11 1.204 3.461 5.896 1.00 0.00 C ATOM 150 OG1 THR A 11 0.004 2.798 6.261 1.00 0.00 O ATOM 151 CG2 THR A 11 1.408 4.670 6.823 1.00 0.00 C ATOM 0 H THR A 11 2.452 2.252 4.104 1.00 0.00 H new ATOM 0 HA THR A 11 0.108 3.710 4.049 1.00 0.00 H new ATOM 0 HB THR A 11 2.061 2.796 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.126 2.354 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.463 4.330 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.335 5.179 6.558 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.571 5.359 6.712 1.00 0.00 H new ATOM 159 N LYS A 12 2.705 5.716 4.218 1.00 0.00 N ATOM 160 CA LYS A 12 3.090 7.142 4.047 1.00 0.00 C ATOM 161 C LYS A 12 2.501 7.633 2.729 1.00 0.00 C ATOM 162 O LYS A 12 1.792 8.618 2.669 1.00 0.00 O ATOM 163 CB LYS A 12 4.614 7.244 3.986 1.00 0.00 C ATOM 164 CG LYS A 12 5.108 8.293 4.980 1.00 0.00 C ATOM 165 CD LYS A 12 5.748 9.456 4.217 1.00 0.00 C ATOM 166 CE LYS A 12 7.090 9.009 3.635 1.00 0.00 C ATOM 167 NZ LYS A 12 7.946 10.203 3.385 1.00 0.00 N ATOM 0 H LYS A 12 3.484 5.062 4.298 1.00 0.00 H new ATOM 0 HA LYS A 12 2.720 7.742 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.061 6.276 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.929 7.511 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.278 8.655 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.832 7.850 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.086 9.788 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.894 10.306 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.589 8.329 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.931 8.461 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.859 9.899 2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.470 10.836 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.108 10.708 4.280 1.00 0.00 H new ATOM 181 N ALA A 13 2.787 6.925 1.676 1.00 0.00 N ATOM 182 CA ALA A 13 2.254 7.296 0.340 1.00 0.00 C ATOM 183 C ALA A 13 0.745 7.089 0.332 1.00 0.00 C ATOM 184 O ALA A 13 0.058 7.497 -0.585 1.00 0.00 O ATOM 185 CB ALA A 13 2.885 6.402 -0.721 1.00 0.00 C ATOM 0 H ALA A 13 3.376 6.093 1.685 1.00 0.00 H new ATOM 0 HA ALA A 13 2.488 8.339 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.496 6.672 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.967 6.534 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.644 5.360 -0.509 1.00 0.00 H new ATOM 191 N VAL A 14 0.216 6.469 1.353 1.00 0.00 N ATOM 192 CA VAL A 14 -1.252 6.253 1.402 1.00 0.00 C ATOM 193 C VAL A 14 -1.947 7.569 1.040 1.00 0.00 C ATOM 194 O VAL A 14 -3.096 7.590 0.646 1.00 0.00 O ATOM 195 CB VAL A 14 -1.666 5.792 2.805 1.00 0.00 C ATOM 196 CG1 VAL A 14 -1.786 6.993 3.750 1.00 0.00 C ATOM 197 CG2 VAL A 14 -3.017 5.081 2.721 1.00 0.00 C ATOM 0 H VAL A 14 0.738 6.105 2.150 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.544 5.479 0.692 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.907 5.113 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.081 6.648 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.825 7.503 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.538 7.683 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.317 4.751 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.766 5.768 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.933 4.217 2.062 1.00 0.00 H new ATOM 207 N SER A 15 -1.249 8.669 1.189 1.00 0.00 N ATOM 208 CA SER A 15 -1.841 9.997 0.873 1.00 0.00 C ATOM 209 C SER A 15 -2.653 10.438 2.076 1.00 0.00 C ATOM 210 O SER A 15 -3.613 11.174 1.967 1.00 0.00 O ATOM 211 CB SER A 15 -2.744 9.896 -0.358 1.00 0.00 C ATOM 212 OG SER A 15 -2.160 9.003 -1.297 1.00 0.00 O ATOM 0 H SER A 15 -0.285 8.698 1.520 1.00 0.00 H new ATOM 0 HA SER A 15 -1.054 10.719 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.734 9.542 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.876 10.880 -0.808 1.00 0.00 H new ATOM 0 HG SER A 15 -2.737 8.935 -2.086 1.00 0.00 H new ATOM 218 N ALA A 16 -2.276 9.966 3.231 1.00 0.00 N ATOM 219 CA ALA A 16 -3.029 10.330 4.458 1.00 0.00 C ATOM 220 C ALA A 16 -4.453 9.790 4.332 1.00 0.00 C ATOM 221 O ALA A 16 -5.336 10.149 5.086 1.00 0.00 O ATOM 222 CB ALA A 16 -3.067 11.851 4.602 1.00 0.00 C ATOM 0 H ALA A 16 -1.480 9.345 3.376 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.544 9.902 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.620 12.117 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.049 12.235 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.559 12.287 3.732 1.00 0.00 H new ATOM 228 N SER A 17 -4.683 8.930 3.373 1.00 0.00 N ATOM 229 CA SER A 17 -6.043 8.368 3.184 1.00 0.00 C ATOM 230 C SER A 17 -7.015 9.509 2.879 1.00 0.00 C ATOM 231 O SER A 17 -6.647 10.505 2.289 1.00 0.00 O ATOM 232 CB SER A 17 -6.474 7.641 4.456 1.00 0.00 C ATOM 233 OG SER A 17 -5.475 6.697 4.817 1.00 0.00 O ATOM 0 H SER A 17 -3.981 8.595 2.713 1.00 0.00 H new ATOM 0 HA SER A 17 -6.042 7.661 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.624 8.356 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.427 7.136 4.296 1.00 0.00 H new ATOM 0 HG SER A 17 -5.243 6.812 5.762 1.00 0.00 H new ATOM 239 N LYS A 18 -8.251 9.376 3.268 1.00 0.00 N ATOM 240 CA LYS A 18 -9.234 10.460 2.989 1.00 0.00 C ATOM 241 C LYS A 18 -9.460 10.562 1.480 1.00 0.00 C ATOM 242 O LYS A 18 -10.090 11.483 0.999 1.00 0.00 O ATOM 243 CB LYS A 18 -8.688 11.790 3.512 1.00 0.00 C ATOM 244 CG LYS A 18 -9.754 12.479 4.364 1.00 0.00 C ATOM 245 CD LYS A 18 -9.533 12.133 5.838 1.00 0.00 C ATOM 246 CE LYS A 18 -10.815 11.536 6.420 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.474 10.635 7.557 1.00 0.00 N ATOM 0 H LYS A 18 -8.623 8.567 3.765 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.177 10.234 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.789 11.619 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.403 12.432 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.706 13.559 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.748 12.160 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.711 11.423 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.251 13.027 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.478 12.332 6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.352 10.981 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.346 10.229 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.858 9.868 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.980 11.178 8.294 1.00 0.00 H new ATOM 261 N GLU A 19 -8.951 9.624 0.728 1.00 0.00 N ATOM 262 CA GLU A 19 -9.135 9.669 -0.748 1.00 0.00 C ATOM 263 C GLU A 19 -10.252 8.704 -1.152 1.00 0.00 C ATOM 264 O GLU A 19 -10.769 7.963 -0.340 1.00 0.00 O ATOM 265 CB GLU A 19 -7.832 9.255 -1.436 1.00 0.00 C ATOM 266 CG GLU A 19 -6.839 10.418 -1.397 1.00 0.00 C ATOM 267 CD GLU A 19 -5.669 10.124 -2.338 1.00 0.00 C ATOM 268 OE1 GLU A 19 -5.751 9.148 -3.065 1.00 0.00 O ATOM 269 OE2 GLU A 19 -4.711 10.879 -2.315 1.00 0.00 O ATOM 0 H GLU A 19 -8.415 8.828 1.074 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.402 10.682 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.407 8.384 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.030 8.967 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.334 11.343 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.474 10.564 -0.380 1.00 0.00 H new ATOM 276 N ARG A 20 -10.623 8.702 -2.403 1.00 0.00 N ATOM 277 CA ARG A 20 -11.701 7.781 -2.859 1.00 0.00 C ATOM 278 C ARG A 20 -11.129 6.807 -3.890 1.00 0.00 C ATOM 279 O ARG A 20 -11.714 6.569 -4.928 1.00 0.00 O ATOM 280 CB ARG A 20 -12.835 8.591 -3.492 1.00 0.00 C ATOM 281 CG ARG A 20 -13.852 8.968 -2.414 1.00 0.00 C ATOM 282 CD ARG A 20 -13.393 10.242 -1.704 1.00 0.00 C ATOM 283 NE ARG A 20 -13.869 11.430 -2.466 1.00 0.00 N ATOM 284 CZ ARG A 20 -15.120 11.511 -2.828 1.00 0.00 C ATOM 285 NH1 ARG A 20 -16.024 11.899 -1.972 1.00 0.00 N ATOM 286 NH2 ARG A 20 -15.467 11.200 -4.047 1.00 0.00 N ATOM 0 H ARG A 20 -10.226 9.299 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.090 7.224 -2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.436 9.490 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.319 8.009 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.833 9.122 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.954 8.155 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.785 10.267 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.306 10.257 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.218 12.179 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.753 12.140 -1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.002 11.962 -2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.761 10.894 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.445 11.263 -4.331 1.00 0.00 H new ATOM 300 N LYS A 21 -9.985 6.245 -3.612 1.00 0.00 N ATOM 301 CA LYS A 21 -9.371 5.288 -4.575 1.00 0.00 C ATOM 302 C LYS A 21 -7.998 4.857 -4.053 1.00 0.00 C ATOM 303 O LYS A 21 -7.654 3.691 -4.077 1.00 0.00 O ATOM 304 CB LYS A 21 -9.212 5.962 -5.943 1.00 0.00 C ATOM 305 CG LYS A 21 -9.036 7.471 -5.759 1.00 0.00 C ATOM 306 CD LYS A 21 -8.034 7.996 -6.788 1.00 0.00 C ATOM 307 CE LYS A 21 -8.608 9.238 -7.473 1.00 0.00 C ATOM 308 NZ LYS A 21 -7.612 9.774 -8.443 1.00 0.00 N ATOM 0 H LYS A 21 -9.449 6.407 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.014 4.414 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.350 5.547 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.087 5.761 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.994 7.977 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.684 7.687 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.090 8.240 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.820 7.225 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.535 8.987 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.852 9.997 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.001 10.618 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.739 10.028 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.400 9.050 -9.159 1.00 0.00 H new ATOM 322 N GLY A 22 -7.213 5.788 -3.579 1.00 0.00 N ATOM 323 CA GLY A 22 -5.860 5.437 -3.053 1.00 0.00 C ATOM 324 C GLY A 22 -5.203 4.419 -3.977 1.00 0.00 C ATOM 325 O GLY A 22 -4.465 3.555 -3.545 1.00 0.00 O ATOM 0 H GLY A 22 -7.451 6.779 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.242 6.332 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.945 5.028 -2.046 1.00 0.00 H new ATOM 329 N LEU A 23 -5.455 4.520 -5.253 1.00 0.00 N ATOM 330 CA LEU A 23 -4.832 3.565 -6.205 1.00 0.00 C ATOM 331 C LEU A 23 -5.266 2.146 -5.831 1.00 0.00 C ATOM 332 O LEU A 23 -6.135 1.956 -5.005 1.00 0.00 O ATOM 333 CB LEU A 23 -3.301 3.679 -6.124 1.00 0.00 C ATOM 334 CG LEU A 23 -2.880 5.099 -5.701 1.00 0.00 C ATOM 335 CD1 LEU A 23 -1.763 5.021 -4.658 1.00 0.00 C ATOM 336 CD2 LEU A 23 -2.390 5.879 -6.927 1.00 0.00 C ATOM 0 H LEU A 23 -6.064 5.221 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.150 3.793 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.915 2.952 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.862 3.438 -7.092 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.738 5.612 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.470 6.028 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.119 4.476 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.904 4.503 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.093 6.883 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.536 5.365 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.193 5.944 -7.662 1.00 0.00 H new ATOM 348 N SER A 24 -4.674 1.145 -6.424 1.00 0.00 N ATOM 349 CA SER A 24 -5.070 -0.250 -6.079 1.00 0.00 C ATOM 350 C SER A 24 -3.858 -1.171 -6.167 1.00 0.00 C ATOM 351 O SER A 24 -3.493 -1.655 -7.220 1.00 0.00 O ATOM 352 CB SER A 24 -6.144 -0.734 -7.036 1.00 0.00 C ATOM 353 OG SER A 24 -5.844 -0.280 -8.349 1.00 0.00 O ATOM 0 H SER A 24 -3.940 1.231 -7.126 1.00 0.00 H new ATOM 0 HA SER A 24 -5.460 -0.264 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.198 -1.823 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.120 -0.361 -6.724 1.00 0.00 H new ATOM 0 HG SER A 24 -4.929 -0.540 -8.584 1.00 0.00 H new ATOM 359 N LEU A 25 -3.231 -1.397 -5.055 1.00 0.00 N ATOM 360 CA LEU A 25 -2.022 -2.266 -4.997 1.00 0.00 C ATOM 361 C LEU A 25 -1.112 -2.042 -6.218 1.00 0.00 C ATOM 362 O LEU A 25 -0.290 -2.876 -6.542 1.00 0.00 O ATOM 363 CB LEU A 25 -2.424 -3.744 -4.940 1.00 0.00 C ATOM 364 CG LEU A 25 -3.635 -3.921 -4.026 1.00 0.00 C ATOM 365 CD1 LEU A 25 -4.732 -4.683 -4.772 1.00 0.00 C ATOM 366 CD2 LEU A 25 -3.222 -4.713 -2.784 1.00 0.00 C ATOM 0 H LEU A 25 -3.511 -1.006 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.474 -1.998 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.658 -4.105 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.590 -4.342 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.011 -2.942 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.596 -4.809 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.026 -4.122 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.357 -5.662 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.085 -4.840 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.847 -5.691 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.440 -4.172 -2.251 1.00 0.00 H new ATOM 378 N ALA A 26 -1.205 -0.916 -6.863 1.00 0.00 N ATOM 379 CA ALA A 26 -0.295 -0.641 -8.011 1.00 0.00 C ATOM 380 C ALA A 26 -0.150 0.876 -8.158 1.00 0.00 C ATOM 381 O ALA A 26 -0.640 1.473 -9.096 1.00 0.00 O ATOM 382 CB ALA A 26 -0.870 -1.239 -9.297 1.00 0.00 C ATOM 0 H ALA A 26 -1.870 -0.173 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 26 0.679 -1.095 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.196 -1.031 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.980 -2.317 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.845 -0.795 -9.501 1.00 0.00 H new ATOM 388 N ALA A 27 0.518 1.487 -7.217 1.00 0.00 N ATOM 389 CA ALA A 27 0.715 2.965 -7.223 1.00 0.00 C ATOM 390 C ALA A 27 1.186 3.362 -5.822 1.00 0.00 C ATOM 391 O ALA A 27 2.316 3.770 -5.632 1.00 0.00 O ATOM 392 CB ALA A 27 -0.600 3.670 -7.534 1.00 0.00 C ATOM 0 H ALA A 27 0.946 1.010 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 27 1.444 3.251 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.443 4.749 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.959 3.354 -8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.339 3.412 -6.776 1.00 0.00 H new ATOM 398 N LEU A 28 0.341 3.213 -4.824 1.00 0.00 N ATOM 399 CA LEU A 28 0.783 3.537 -3.434 1.00 0.00 C ATOM 400 C LEU A 28 2.111 2.845 -3.223 1.00 0.00 C ATOM 401 O LEU A 28 3.107 3.451 -2.935 1.00 0.00 O ATOM 402 CB LEU A 28 -0.231 2.973 -2.385 1.00 0.00 C ATOM 403 CG LEU A 28 0.518 2.394 -1.151 1.00 0.00 C ATOM 404 CD1 LEU A 28 1.201 3.534 -0.402 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.447 1.714 -0.204 1.00 0.00 C ATOM 0 H LEU A 28 -0.621 2.886 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 28 0.852 4.618 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.910 3.764 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.841 2.195 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 28 1.248 1.665 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.728 3.135 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.912 4.029 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.451 4.253 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.101 1.317 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.187 2.436 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.951 0.898 -0.722 1.00 0.00 H new ATOM 417 N LYS A 29 2.064 1.556 -3.339 1.00 0.00 N ATOM 418 CA LYS A 29 3.255 0.695 -3.127 1.00 0.00 C ATOM 419 C LYS A 29 4.257 0.954 -4.259 1.00 0.00 C ATOM 420 O LYS A 29 5.421 0.636 -4.151 1.00 0.00 O ATOM 421 CB LYS A 29 2.855 -0.802 -3.047 1.00 0.00 C ATOM 422 CG LYS A 29 1.700 -0.983 -2.019 1.00 0.00 C ATOM 423 CD LYS A 29 0.336 -0.567 -2.608 1.00 0.00 C ATOM 424 CE LYS A 29 0.331 -0.584 -4.142 1.00 0.00 C ATOM 425 NZ LYS A 29 -0.730 0.347 -4.610 1.00 0.00 N ATOM 0 H LYS A 29 1.217 1.042 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 29 3.722 0.943 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.540 -1.157 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.715 -1.403 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.656 -2.025 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.908 -0.388 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.437 -1.240 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.082 0.433 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.303 -0.279 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.143 -1.592 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.834 0.265 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.631 0.105 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.468 1.323 -4.365 1.00 0.00 H new ATOM 439 N LYS A 30 3.820 1.570 -5.331 1.00 0.00 N ATOM 440 CA LYS A 30 4.757 1.890 -6.448 1.00 0.00 C ATOM 441 C LYS A 30 5.491 3.203 -6.126 1.00 0.00 C ATOM 442 O LYS A 30 6.383 3.619 -6.839 1.00 0.00 O ATOM 443 CB LYS A 30 3.968 2.044 -7.751 1.00 0.00 C ATOM 444 CG LYS A 30 4.165 0.798 -8.618 1.00 0.00 C ATOM 445 CD LYS A 30 3.453 0.985 -9.959 1.00 0.00 C ATOM 446 CE LYS A 30 4.470 0.887 -11.097 1.00 0.00 C ATOM 447 NZ LYS A 30 4.859 2.256 -11.538 1.00 0.00 N ATOM 0 H LYS A 30 2.855 1.864 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 30 5.482 1.085 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.909 2.185 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.303 2.931 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.228 0.621 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.771 -0.080 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.681 0.226 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.954 1.954 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.351 0.337 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.044 0.332 -11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.551 2.188 -12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.016 2.766 -11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.282 2.771 -10.740 1.00 0.00 H new ATOM 461 N ALA A 31 5.137 3.838 -5.035 1.00 0.00 N ATOM 462 CA ALA A 31 5.823 5.101 -4.625 1.00 0.00 C ATOM 463 C ALA A 31 7.006 4.715 -3.735 1.00 0.00 C ATOM 464 O ALA A 31 7.855 5.519 -3.404 1.00 0.00 O ATOM 465 CB ALA A 31 4.848 5.988 -3.832 1.00 0.00 C ATOM 0 H ALA A 31 4.395 3.531 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 31 6.163 5.655 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.352 6.908 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.988 6.231 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.512 5.455 -2.943 1.00 0.00 H new ATOM 471 N LEU A 32 7.053 3.464 -3.364 1.00 0.00 N ATOM 472 CA LEU A 32 8.149 2.937 -2.513 1.00 0.00 C ATOM 473 C LEU A 32 9.084 2.139 -3.407 1.00 0.00 C ATOM 474 O LEU A 32 10.147 1.704 -3.012 1.00 0.00 O ATOM 475 CB LEU A 32 7.520 2.040 -1.434 1.00 0.00 C ATOM 476 CG LEU A 32 6.286 2.749 -0.859 1.00 0.00 C ATOM 477 CD1 LEU A 32 6.588 4.232 -0.747 1.00 0.00 C ATOM 478 CD2 LEU A 32 5.113 2.567 -1.782 1.00 0.00 C ATOM 0 H LEU A 32 6.354 2.768 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 32 8.712 3.734 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.238 1.078 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.242 1.838 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 32 6.048 2.328 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.720 4.750 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.442 4.380 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.819 4.632 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.241 3.073 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.349 2.992 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.898 1.504 -1.891 1.00 0.00 H new ATOM 490 N ALA A 33 8.675 1.964 -4.626 1.00 0.00 N ATOM 491 CA ALA A 33 9.491 1.217 -5.609 1.00 0.00 C ATOM 492 C ALA A 33 10.491 2.165 -6.280 1.00 0.00 C ATOM 493 O ALA A 33 10.819 2.007 -7.440 1.00 0.00 O ATOM 494 CB ALA A 33 8.564 0.629 -6.674 1.00 0.00 C ATOM 0 H ALA A 33 7.789 2.316 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 33 10.036 0.420 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.154 0.076 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.848 -0.044 -6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.029 1.435 -7.176 1.00 0.00 H new ATOM 500 N ALA A 34 10.978 3.151 -5.572 1.00 0.00 N ATOM 501 CA ALA A 34 11.951 4.097 -6.195 1.00 0.00 C ATOM 502 C ALA A 34 13.046 4.482 -5.193 1.00 0.00 C ATOM 503 O ALA A 34 13.360 5.643 -5.024 1.00 0.00 O ATOM 504 CB ALA A 34 11.218 5.362 -6.645 1.00 0.00 C ATOM 0 H ALA A 34 10.746 3.341 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 34 12.411 3.606 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.929 6.052 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.451 5.099 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.751 5.838 -5.783 1.00 0.00 H new ATOM 510 N GLY A 35 13.635 3.524 -4.531 1.00 0.00 N ATOM 511 CA GLY A 35 14.716 3.852 -3.551 1.00 0.00 C ATOM 512 C GLY A 35 15.326 2.557 -3.009 1.00 0.00 C ATOM 513 O GLY A 35 15.335 2.313 -1.819 1.00 0.00 O ATOM 0 H GLY A 35 13.418 2.532 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.486 4.456 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.311 4.446 -2.732 1.00 0.00 H new ATOM 517 N GLY A 36 15.799 1.708 -3.878 1.00 0.00 N ATOM 518 CA GLY A 36 16.366 0.409 -3.421 1.00 0.00 C ATOM 519 C GLY A 36 15.194 -0.548 -3.234 1.00 0.00 C ATOM 520 O GLY A 36 15.330 -1.651 -2.746 1.00 0.00 O ATOM 0 H GLY A 36 15.817 1.858 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.071 0.017 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.914 0.535 -2.487 1.00 0.00 H new ATOM 524 N TYR A 37 14.036 -0.092 -3.627 1.00 0.00 N ATOM 525 CA TYR A 37 12.786 -0.874 -3.511 1.00 0.00 C ATOM 526 C TYR A 37 12.058 -0.721 -4.844 1.00 0.00 C ATOM 527 O TYR A 37 12.059 0.354 -5.406 1.00 0.00 O ATOM 528 CB TYR A 37 11.953 -0.220 -2.402 1.00 0.00 C ATOM 529 CG TYR A 37 12.135 -0.928 -1.075 1.00 0.00 C ATOM 530 CD1 TYR A 37 13.061 -1.970 -0.931 1.00 0.00 C ATOM 531 CD2 TYR A 37 11.376 -0.519 0.027 1.00 0.00 C ATOM 532 CE1 TYR A 37 13.220 -2.599 0.305 1.00 0.00 C ATOM 533 CE2 TYR A 37 11.539 -1.149 1.263 1.00 0.00 C ATOM 534 CZ TYR A 37 12.461 -2.189 1.402 1.00 0.00 C ATOM 535 OH TYR A 37 12.624 -2.809 2.623 1.00 0.00 O ATOM 0 H TYR A 37 13.908 0.832 -4.041 1.00 0.00 H new ATOM 0 HA TYR A 37 12.960 -1.926 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.241 0.826 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.899 -0.235 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.652 -2.287 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.663 0.285 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.932 -3.404 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.952 -0.832 2.112 1.00 0.00 H new ATOM 0 HH TYR A 37 12.020 -2.403 3.279 1.00 0.00 H new ATOM 545 N ASP A 38 11.445 -1.740 -5.389 1.00 0.00 N ATOM 546 CA ASP A 38 10.768 -1.510 -6.678 1.00 0.00 C ATOM 547 C ASP A 38 9.459 -2.294 -6.726 1.00 0.00 C ATOM 548 O ASP A 38 8.881 -2.469 -7.779 1.00 0.00 O ATOM 549 CB ASP A 38 11.704 -1.907 -7.834 1.00 0.00 C ATOM 550 CG ASP A 38 12.169 -3.345 -7.650 1.00 0.00 C ATOM 551 OD1 ASP A 38 11.686 -3.979 -6.738 1.00 0.00 O ATOM 552 OD2 ASP A 38 13.005 -3.784 -8.422 1.00 0.00 O ATOM 0 H ASP A 38 11.389 -2.684 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 38 10.529 -0.452 -6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.185 -1.802 -8.787 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.564 -1.238 -7.864 1.00 0.00 H new ATOM 557 N VAL A 39 8.986 -2.790 -5.594 1.00 0.00 N ATOM 558 CA VAL A 39 7.723 -3.574 -5.603 1.00 0.00 C ATOM 559 C VAL A 39 7.814 -4.554 -6.756 1.00 0.00 C ATOM 560 O VAL A 39 6.833 -4.989 -7.326 1.00 0.00 O ATOM 561 CB VAL A 39 6.525 -2.629 -5.763 1.00 0.00 C ATOM 562 CG1 VAL A 39 6.717 -1.414 -4.859 1.00 0.00 C ATOM 563 CG2 VAL A 39 6.408 -2.160 -7.217 1.00 0.00 C ATOM 0 H VAL A 39 9.425 -2.680 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 39 7.583 -4.115 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 39 5.615 -3.162 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.868 -0.740 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.788 -1.740 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.632 -0.893 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.554 -1.490 -7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.318 -1.632 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.269 -3.023 -7.868 1.00 0.00 H new ATOM 573 N GLU A 40 9.022 -4.888 -7.087 1.00 0.00 N ATOM 574 CA GLU A 40 9.290 -5.824 -8.182 1.00 0.00 C ATOM 575 C GLU A 40 10.299 -6.836 -7.668 1.00 0.00 C ATOM 576 O GLU A 40 9.945 -7.895 -7.189 1.00 0.00 O ATOM 577 CB GLU A 40 9.870 -5.047 -9.360 1.00 0.00 C ATOM 578 CG GLU A 40 8.796 -4.879 -10.437 1.00 0.00 C ATOM 579 CD GLU A 40 9.006 -5.924 -11.533 1.00 0.00 C ATOM 580 OE1 GLU A 40 9.135 -7.089 -11.196 1.00 0.00 O ATOM 581 OE2 GLU A 40 9.035 -5.541 -12.691 1.00 0.00 O ATOM 0 H GLU A 40 9.858 -4.534 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 40 8.383 -6.331 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.223 -4.071 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.731 -5.575 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.805 -4.991 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.845 -3.876 -10.861 1.00 0.00 H new ATOM 588 N LYS A 41 11.553 -6.490 -7.695 1.00 0.00 N ATOM 589 CA LYS A 41 12.568 -7.406 -7.131 1.00 0.00 C ATOM 590 C LYS A 41 12.481 -7.261 -5.602 1.00 0.00 C ATOM 591 O LYS A 41 13.061 -8.023 -4.855 1.00 0.00 O ATOM 592 CB LYS A 41 13.964 -7.034 -7.645 1.00 0.00 C ATOM 593 CG LYS A 41 14.984 -8.072 -7.168 1.00 0.00 C ATOM 594 CD LYS A 41 16.370 -7.428 -7.085 1.00 0.00 C ATOM 595 CE LYS A 41 17.371 -8.256 -7.895 1.00 0.00 C ATOM 596 NZ LYS A 41 17.817 -9.427 -7.088 1.00 0.00 N ATOM 0 H LYS A 41 11.914 -5.618 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 41 12.387 -8.438 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.960 -6.987 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.243 -6.044 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.693 -8.461 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.005 -8.918 -7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.332 -6.408 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.691 -7.366 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.912 -8.595 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.229 -7.642 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.497 -9.989 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.271 -9.093 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.995 -10.017 -6.848 1.00 0.00 H new ATOM 610 N ASN A 42 11.688 -6.308 -5.142 1.00 0.00 N ATOM 611 CA ASN A 42 11.465 -6.120 -3.686 1.00 0.00 C ATOM 612 C ASN A 42 9.960 -6.268 -3.473 1.00 0.00 C ATOM 613 O ASN A 42 9.432 -5.914 -2.441 1.00 0.00 O ATOM 614 CB ASN A 42 11.862 -4.709 -3.220 1.00 0.00 C ATOM 615 CG ASN A 42 13.316 -4.375 -3.565 1.00 0.00 C ATOM 616 OD1 ASN A 42 14.110 -4.096 -2.690 1.00 0.00 O ATOM 617 ND2 ASN A 42 13.702 -4.402 -4.804 1.00 0.00 N ATOM 0 H ASN A 42 11.184 -5.649 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 42 12.064 -6.840 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.202 -3.976 -3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.718 -4.630 -2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.671 -4.189 -5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.036 -4.636 -5.541 1.00 0.00 H new ATOM 624 N ASN A 43 9.262 -6.771 -4.467 1.00 0.00 N ATOM 625 CA ASN A 43 7.790 -6.934 -4.349 1.00 0.00 C ATOM 626 C ASN A 43 7.503 -7.989 -3.295 1.00 0.00 C ATOM 627 O ASN A 43 6.407 -8.095 -2.789 1.00 0.00 O ATOM 628 CB ASN A 43 7.210 -7.390 -5.690 1.00 0.00 C ATOM 629 CG ASN A 43 5.770 -6.893 -5.820 1.00 0.00 C ATOM 630 OD1 ASN A 43 5.200 -6.392 -4.871 1.00 0.00 O ATOM 631 ND2 ASN A 43 5.153 -7.013 -6.963 1.00 0.00 N ATOM 0 H ASN A 43 9.659 -7.075 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 43 7.335 -5.984 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.815 -7.003 -6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.238 -8.477 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.192 -6.686 -7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.632 -7.434 -7.759 1.00 0.00 H new ATOM 638 N SER A 44 8.482 -8.771 -2.955 1.00 0.00 N ATOM 639 CA SER A 44 8.254 -9.808 -1.926 1.00 0.00 C ATOM 640 C SER A 44 8.019 -9.117 -0.590 1.00 0.00 C ATOM 641 O SER A 44 7.570 -9.727 0.360 1.00 0.00 O ATOM 642 CB SER A 44 9.471 -10.722 -1.828 1.00 0.00 C ATOM 643 OG SER A 44 9.042 -12.047 -1.547 1.00 0.00 O ATOM 0 H SER A 44 9.424 -8.736 -3.344 1.00 0.00 H new ATOM 0 HA SER A 44 7.387 -10.412 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.033 -10.700 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.142 -10.371 -1.044 1.00 0.00 H new ATOM 0 HG SER A 44 9.822 -12.637 -1.485 1.00 0.00 H new ATOM 649 N ARG A 45 8.295 -7.841 -0.504 1.00 0.00 N ATOM 650 CA ARG A 45 8.047 -7.145 0.781 1.00 0.00 C ATOM 651 C ARG A 45 7.006 -6.046 0.556 1.00 0.00 C ATOM 652 O ARG A 45 6.561 -5.400 1.483 1.00 0.00 O ATOM 653 CB ARG A 45 9.366 -6.595 1.369 1.00 0.00 C ATOM 654 CG ARG A 45 9.368 -5.062 1.430 1.00 0.00 C ATOM 655 CD ARG A 45 10.574 -4.591 2.243 1.00 0.00 C ATOM 656 NE ARG A 45 11.801 -5.297 1.771 1.00 0.00 N ATOM 657 CZ ARG A 45 12.263 -6.319 2.441 1.00 0.00 C ATOM 658 NH1 ARG A 45 12.683 -6.160 3.667 1.00 0.00 N ATOM 659 NH2 ARG A 45 12.308 -7.498 1.884 1.00 0.00 N ATOM 0 H ARG A 45 8.674 -7.265 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 45 7.652 -7.846 1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.513 -6.999 2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.205 -6.936 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.409 -4.646 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.445 -4.703 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.699 -3.513 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.412 -4.791 3.302 1.00 0.00 H new ATOM 0 HE ARG A 45 12.278 -4.982 0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.650 -5.238 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.044 -6.958 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.982 -7.622 0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.669 -8.296 2.407 1.00 0.00 H new ATOM 673 N ILE A 46 6.587 -5.852 -0.667 1.00 0.00 N ATOM 674 CA ILE A 46 5.555 -4.823 -0.933 1.00 0.00 C ATOM 675 C ILE A 46 4.187 -5.507 -0.938 1.00 0.00 C ATOM 676 O ILE A 46 3.216 -4.948 -0.490 1.00 0.00 O ATOM 677 CB ILE A 46 5.835 -4.130 -2.277 1.00 0.00 C ATOM 678 CG1 ILE A 46 6.812 -2.969 -2.048 1.00 0.00 C ATOM 679 CG2 ILE A 46 4.523 -3.574 -2.859 1.00 0.00 C ATOM 680 CD1 ILE A 46 7.942 -3.410 -1.112 1.00 0.00 C ATOM 0 H ILE A 46 6.917 -6.362 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 46 5.572 -4.056 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 46 6.264 -4.850 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.226 -2.638 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.284 -2.118 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.726 -3.084 -3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.819 -4.391 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.094 -2.852 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.630 -2.579 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.522 -3.718 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.479 -4.247 -1.559 1.00 0.00 H new ATOM 692 N LYS A 47 4.107 -6.724 -1.403 1.00 0.00 N ATOM 693 CA LYS A 47 2.798 -7.431 -1.378 1.00 0.00 C ATOM 694 C LYS A 47 2.568 -7.945 0.044 1.00 0.00 C ATOM 695 O LYS A 47 1.515 -8.448 0.382 1.00 0.00 O ATOM 696 CB LYS A 47 2.819 -8.601 -2.357 1.00 0.00 C ATOM 697 CG LYS A 47 1.883 -8.302 -3.529 1.00 0.00 C ATOM 698 CD LYS A 47 1.043 -9.543 -3.837 1.00 0.00 C ATOM 699 CE LYS A 47 0.900 -9.706 -5.352 1.00 0.00 C ATOM 700 NZ LYS A 47 -0.087 -8.715 -5.868 1.00 0.00 N ATOM 0 H LYS A 47 4.885 -7.254 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 47 1.996 -6.753 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.833 -8.767 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.508 -9.516 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.234 -7.461 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.462 -8.014 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.514 -10.428 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.059 -9.451 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.865 -9.560 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.573 -10.718 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.184 -8.826 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.009 -8.875 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.243 -7.752 -5.653 1.00 0.00 H new ATOM 714 N LEU A 48 3.552 -7.777 0.887 1.00 0.00 N ATOM 715 CA LEU A 48 3.428 -8.196 2.307 1.00 0.00 C ATOM 716 C LEU A 48 3.262 -6.913 3.106 1.00 0.00 C ATOM 717 O LEU A 48 2.435 -6.806 3.990 1.00 0.00 O ATOM 718 CB LEU A 48 4.697 -8.930 2.753 1.00 0.00 C ATOM 719 CG LEU A 48 4.707 -10.346 2.171 1.00 0.00 C ATOM 720 CD1 LEU A 48 5.919 -11.110 2.708 1.00 0.00 C ATOM 721 CD2 LEU A 48 3.425 -11.075 2.582 1.00 0.00 C ATOM 0 H LEU A 48 4.450 -7.360 0.644 1.00 0.00 H new ATOM 0 HA LEU A 48 2.587 -8.874 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.580 -8.384 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.740 -8.974 3.841 1.00 0.00 H new ATOM 0 HG LEU A 48 4.763 -10.291 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.926 -12.118 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.833 -10.592 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.862 -11.165 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.431 -12.083 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.370 -11.129 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.560 -10.532 2.202 1.00 0.00 H new ATOM 733 N GLY A 49 4.017 -5.912 2.739 1.00 0.00 N ATOM 734 CA GLY A 49 3.890 -4.595 3.394 1.00 0.00 C ATOM 735 C GLY A 49 2.613 -3.961 2.857 1.00 0.00 C ATOM 736 O GLY A 49 2.100 -3.006 3.402 1.00 0.00 O ATOM 0 H GLY A 49 4.722 -5.960 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.842 -4.705 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.755 -3.969 3.175 1.00 0.00 H new ATOM 740 N LEU A 50 2.077 -4.523 1.794 1.00 0.00 N ATOM 741 CA LEU A 50 0.810 -3.996 1.239 1.00 0.00 C ATOM 742 C LEU A 50 -0.304 -4.715 1.980 1.00 0.00 C ATOM 743 O LEU A 50 -1.154 -4.108 2.602 1.00 0.00 O ATOM 744 CB LEU A 50 0.705 -4.264 -0.268 1.00 0.00 C ATOM 745 CG LEU A 50 -0.563 -3.605 -0.816 1.00 0.00 C ATOM 746 CD1 LEU A 50 -0.700 -2.205 -0.227 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.464 -3.499 -2.334 1.00 0.00 C ATOM 0 H LEU A 50 2.471 -5.322 1.296 1.00 0.00 H new ATOM 0 HA LEU A 50 0.752 -2.915 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.583 -3.870 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.681 -5.337 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.431 -4.206 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.602 -1.733 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.765 -2.272 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.169 -1.608 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.367 -3.030 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.404 -2.896 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.358 -4.496 -2.762 1.00 0.00 H new ATOM 759 N LYS A 51 -0.256 -6.020 1.979 1.00 0.00 N ATOM 760 CA LYS A 51 -1.254 -6.794 2.753 1.00 0.00 C ATOM 761 C LYS A 51 -1.153 -6.294 4.193 1.00 0.00 C ATOM 762 O LYS A 51 -2.076 -6.389 4.974 1.00 0.00 O ATOM 763 CB LYS A 51 -0.914 -8.284 2.694 1.00 0.00 C ATOM 764 CG LYS A 51 -1.641 -9.025 3.817 1.00 0.00 C ATOM 765 CD LYS A 51 -0.678 -9.273 4.982 1.00 0.00 C ATOM 766 CE LYS A 51 -0.684 -10.761 5.338 1.00 0.00 C ATOM 767 NZ LYS A 51 -1.524 -10.980 6.550 1.00 0.00 N ATOM 0 H LYS A 51 0.433 -6.578 1.474 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.260 -6.664 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.204 -8.695 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.163 -8.425 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.496 -8.440 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.031 -9.973 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.329 -8.957 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.975 -8.680 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.073 -11.344 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.334 -11.106 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.528 -11.992 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.134 -10.435 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.497 -10.666 6.359 1.00 0.00 H new ATOM 781 N SER A 52 -0.024 -5.722 4.517 1.00 0.00 N ATOM 782 CA SER A 52 0.190 -5.154 5.870 1.00 0.00 C ATOM 783 C SER A 52 -0.422 -3.764 5.881 1.00 0.00 C ATOM 784 O SER A 52 -1.063 -3.375 6.824 1.00 0.00 O ATOM 785 CB SER A 52 1.682 -5.075 6.177 1.00 0.00 C ATOM 786 OG SER A 52 2.072 -6.231 6.909 1.00 0.00 O ATOM 0 H SER A 52 0.771 -5.625 3.885 1.00 0.00 H new ATOM 0 HA SER A 52 -0.275 -5.784 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.253 -5.007 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.900 -4.175 6.752 1.00 0.00 H new ATOM 0 HG SER A 52 2.376 -6.925 6.287 1.00 0.00 H new ATOM 792 N LEU A 53 -0.299 -3.014 4.820 1.00 0.00 N ATOM 793 CA LEU A 53 -0.980 -1.701 4.835 1.00 0.00 C ATOM 794 C LEU A 53 -2.447 -2.052 5.005 1.00 0.00 C ATOM 795 O LEU A 53 -2.992 -1.996 6.089 1.00 0.00 O ATOM 796 CB LEU A 53 -0.751 -0.960 3.520 1.00 0.00 C ATOM 797 CG LEU A 53 -0.308 0.459 3.842 1.00 0.00 C ATOM 798 CD1 LEU A 53 -1.354 1.103 4.747 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.034 0.412 4.578 1.00 0.00 C ATOM 0 H LEU A 53 0.224 -3.246 3.976 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.611 -1.044 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.007 -1.469 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.666 -0.947 2.927 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.201 1.036 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.050 2.122 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.316 1.122 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.444 0.525 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.357 1.427 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.922 -0.155 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.780 -0.069 3.945 1.00 0.00 H new ATOM 811 N VAL A 54 -3.060 -2.486 3.942 1.00 0.00 N ATOM 812 CA VAL A 54 -4.481 -2.944 4.012 1.00 0.00 C ATOM 813 C VAL A 54 -4.783 -3.613 5.363 1.00 0.00 C ATOM 814 O VAL A 54 -5.851 -3.464 5.921 1.00 0.00 O ATOM 815 CB VAL A 54 -4.683 -4.011 2.941 1.00 0.00 C ATOM 816 CG1 VAL A 54 -3.888 -5.260 3.303 1.00 0.00 C ATOM 817 CG2 VAL A 54 -6.164 -4.378 2.874 1.00 0.00 C ATOM 0 H VAL A 54 -2.636 -2.545 3.016 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.130 -2.079 3.877 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.344 -3.624 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.035 -6.020 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.829 -5.011 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.231 -5.644 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.316 -5.141 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.487 -4.764 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.747 -3.492 2.623 1.00 0.00 H new ATOM 827 N SER A 55 -3.857 -4.393 5.855 1.00 0.00 N ATOM 828 CA SER A 55 -4.089 -5.136 7.142 1.00 0.00 C ATOM 829 C SER A 55 -4.152 -4.170 8.316 1.00 0.00 C ATOM 830 O SER A 55 -5.211 -3.908 8.851 1.00 0.00 O ATOM 831 CB SER A 55 -2.955 -6.133 7.376 1.00 0.00 C ATOM 832 OG SER A 55 -2.994 -6.576 8.727 1.00 0.00 O ATOM 0 H SER A 55 -2.946 -4.552 5.425 1.00 0.00 H new ATOM 0 HA SER A 55 -5.039 -5.665 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.055 -6.982 6.699 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.994 -5.666 7.161 1.00 0.00 H new ATOM 0 HG SER A 55 -2.269 -7.217 8.882 1.00 0.00 H new ATOM 838 N LYS A 56 -3.019 -3.647 8.719 1.00 0.00 N ATOM 839 CA LYS A 56 -2.976 -2.679 9.860 1.00 0.00 C ATOM 840 C LYS A 56 -4.237 -1.826 9.823 1.00 0.00 C ATOM 841 O LYS A 56 -4.766 -1.417 10.837 1.00 0.00 O ATOM 842 CB LYS A 56 -1.741 -1.779 9.701 1.00 0.00 C ATOM 843 CG LYS A 56 -1.924 -0.473 10.486 1.00 0.00 C ATOM 844 CD LYS A 56 -0.602 -0.085 11.155 1.00 0.00 C ATOM 845 CE LYS A 56 -0.573 1.427 11.393 1.00 0.00 C ATOM 846 NZ LYS A 56 0.306 2.076 10.379 1.00 0.00 N ATOM 0 H LYS A 56 -2.112 -3.852 8.301 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.920 -3.212 10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.854 -2.303 10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.579 -1.557 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.251 0.322 9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.702 -0.596 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.492 -0.615 12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.237 -0.381 10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.582 1.835 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.206 1.640 12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.325 3.103 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.270 1.695 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.063 1.883 9.426 1.00 0.00 H new ATOM 860 N GLY A 57 -4.720 -1.571 8.646 1.00 0.00 N ATOM 861 CA GLY A 57 -5.953 -0.757 8.508 1.00 0.00 C ATOM 862 C GLY A 57 -5.565 0.697 8.298 1.00 0.00 C ATOM 863 O GLY A 57 -5.907 1.562 9.079 1.00 0.00 O ATOM 0 H GLY A 57 -4.312 -1.893 7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.547 -1.113 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.572 -0.857 9.400 1.00 0.00 H new ATOM 867 N THR A 58 -4.860 0.978 7.244 1.00 0.00 N ATOM 868 CA THR A 58 -4.464 2.377 6.984 1.00 0.00 C ATOM 869 C THR A 58 -5.121 2.810 5.690 1.00 0.00 C ATOM 870 O THR A 58 -5.724 3.855 5.612 1.00 0.00 O ATOM 871 CB THR A 58 -2.945 2.471 6.857 1.00 0.00 C ATOM 872 OG1 THR A 58 -2.362 1.258 7.313 1.00 0.00 O ATOM 873 CG2 THR A 58 -2.427 3.637 7.700 1.00 0.00 C ATOM 0 H THR A 58 -4.543 0.298 6.553 1.00 0.00 H new ATOM 0 HA THR A 58 -4.779 3.023 7.804 1.00 0.00 H new ATOM 0 HB THR A 58 -2.677 2.638 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.550 1.457 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.343 3.700 7.606 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.876 4.567 7.350 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.692 3.476 8.745 1.00 0.00 H new ATOM 881 N LEU A 59 -5.004 2.026 4.660 1.00 0.00 N ATOM 882 CA LEU A 59 -5.619 2.419 3.397 1.00 0.00 C ATOM 883 C LEU A 59 -6.928 1.655 3.142 1.00 0.00 C ATOM 884 O LEU A 59 -7.590 1.853 2.146 1.00 0.00 O ATOM 885 CB LEU A 59 -4.637 2.139 2.278 1.00 0.00 C ATOM 886 CG LEU A 59 -4.060 0.744 2.370 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.174 -0.283 2.374 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.185 0.491 1.145 1.00 0.00 C ATOM 0 H LEU A 59 -4.508 1.135 4.651 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.862 3.481 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.137 2.263 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.829 2.869 2.313 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.480 0.660 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.746 -1.283 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.826 -0.109 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.752 -0.196 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.763 -0.513 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.788 0.582 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.378 1.223 1.117 1.00 0.00 H new ATOM 900 N VAL A 60 -7.286 0.784 4.028 1.00 0.00 N ATOM 901 CA VAL A 60 -8.539 -0.024 3.862 1.00 0.00 C ATOM 902 C VAL A 60 -8.727 -0.414 2.390 1.00 0.00 C ATOM 903 O VAL A 60 -9.209 0.358 1.584 1.00 0.00 O ATOM 904 CB VAL A 60 -9.751 0.782 4.320 1.00 0.00 C ATOM 905 CG1 VAL A 60 -10.795 -0.162 4.920 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.332 1.806 5.380 1.00 0.00 C ATOM 0 H VAL A 60 -6.762 0.585 4.880 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.449 -0.924 4.470 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.173 1.304 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.661 0.414 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.105 -0.887 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.364 -0.686 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.204 2.376 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.903 1.287 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.590 2.484 4.958 1.00 0.00 H new ATOM 916 N GLN A 61 -8.364 -1.614 2.040 1.00 0.00 N ATOM 917 CA GLN A 61 -8.524 -2.064 0.624 1.00 0.00 C ATOM 918 C GLN A 61 -9.333 -3.368 0.570 1.00 0.00 C ATOM 919 O GLN A 61 -9.068 -4.227 -0.245 1.00 0.00 O ATOM 920 CB GLN A 61 -7.134 -2.270 -0.025 1.00 0.00 C ATOM 921 CG GLN A 61 -6.579 -3.671 0.251 1.00 0.00 C ATOM 922 CD GLN A 61 -6.330 -4.403 -1.067 1.00 0.00 C ATOM 923 OE1 GLN A 61 -5.390 -5.163 -1.183 1.00 0.00 O ATOM 924 NE2 GLN A 61 -7.137 -4.208 -2.068 1.00 0.00 N ATOM 0 H GLN A 61 -7.962 -2.307 2.672 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.063 -1.296 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.209 -2.114 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.440 -1.522 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.650 -3.598 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.282 -4.236 0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.926 -3.570 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.981 -4.694 -2.951 1.00 0.00 H new ATOM 933 N THR A 62 -10.305 -3.525 1.439 1.00 0.00 N ATOM 934 CA THR A 62 -11.122 -4.785 1.440 1.00 0.00 C ATOM 935 C THR A 62 -11.367 -5.243 -0.001 1.00 0.00 C ATOM 936 O THR A 62 -12.284 -4.803 -0.661 1.00 0.00 O ATOM 937 CB THR A 62 -12.472 -4.564 2.152 1.00 0.00 C ATOM 938 OG1 THR A 62 -13.513 -5.150 1.382 1.00 0.00 O ATOM 939 CG2 THR A 62 -12.751 -3.069 2.331 1.00 0.00 C ATOM 0 H THR A 62 -10.568 -2.838 2.146 1.00 0.00 H new ATOM 0 HA THR A 62 -10.569 -5.554 1.980 1.00 0.00 H new ATOM 0 HB THR A 62 -12.428 -5.031 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.372 -4.756 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.708 -2.935 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.959 -2.620 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.785 -2.586 1.355 1.00 0.00 H new ATOM 1018 N GLY A 69 -15.482 -3.109 -0.615 1.00 0.00 N ATOM 1019 CA GLY A 69 -14.050 -2.733 -0.450 1.00 0.00 C ATOM 1020 C GLY A 69 -13.348 -2.772 -1.807 1.00 0.00 C ATOM 1021 O GLY A 69 -13.854 -3.321 -2.766 1.00 0.00 O ATOM 0 HA2 GLY A 69 -13.973 -1.735 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.562 -3.418 0.243 1.00 0.00 H new ATOM 1025 N SER A 70 -12.180 -2.197 -1.891 1.00 0.00 N ATOM 1026 CA SER A 70 -11.432 -2.200 -3.180 1.00 0.00 C ATOM 1027 C SER A 70 -10.298 -1.180 -3.105 1.00 0.00 C ATOM 1028 O SER A 70 -10.208 -0.283 -3.920 1.00 0.00 O ATOM 1029 CB SER A 70 -12.373 -1.823 -4.323 1.00 0.00 C ATOM 1030 OG SER A 70 -12.400 -2.877 -5.276 1.00 0.00 O ATOM 0 H SER A 70 -11.710 -1.723 -1.120 1.00 0.00 H new ATOM 0 HA SER A 70 -11.025 -3.195 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.376 -1.640 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.039 -0.899 -4.795 1.00 0.00 H new ATOM 0 HG SER A 70 -12.900 -3.636 -4.910 1.00 0.00 H new ATOM 1036 N PHE A 71 -9.429 -1.309 -2.137 1.00 0.00 N ATOM 1037 CA PHE A 71 -8.302 -0.339 -2.024 1.00 0.00 C ATOM 1038 C PHE A 71 -8.845 1.070 -2.237 1.00 0.00 C ATOM 1039 O PHE A 71 -8.888 1.571 -3.343 1.00 0.00 O ATOM 1040 CB PHE A 71 -7.276 -0.665 -3.104 1.00 0.00 C ATOM 1041 CG PHE A 71 -5.870 -0.457 -2.635 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -5.312 0.821 -2.648 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -5.102 -1.558 -2.252 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -3.980 0.995 -2.278 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -3.774 -1.378 -1.872 1.00 0.00 C ATOM 1046 CZ PHE A 71 -3.218 -0.097 -1.891 1.00 0.00 C ATOM 0 H PHE A 71 -9.451 -2.039 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.835 -0.403 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.401 -1.701 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.461 -0.040 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.909 1.671 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.536 -2.547 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.541 1.981 -2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.178 -2.224 -1.564 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.187 0.044 -1.602 1.00 0.00 H new ATOM 1056 N ARG A 72 -9.260 1.715 -1.184 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.799 3.094 -1.325 1.00 0.00 C ATOM 1058 C ARG A 72 -9.084 3.993 -0.326 1.00 0.00 C ATOM 1059 O ARG A 72 -9.496 5.104 -0.062 1.00 0.00 O ATOM 1060 CB ARG A 72 -11.300 3.092 -1.031 1.00 0.00 C ATOM 1061 CG ARG A 72 -12.074 2.869 -2.332 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.517 1.407 -2.421 1.00 0.00 C ATOM 1063 NE ARG A 72 -13.517 1.256 -3.516 1.00 0.00 N ATOM 1064 CZ ARG A 72 -13.240 1.684 -4.718 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -11.999 1.881 -5.068 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -14.203 1.911 -5.570 1.00 0.00 N ATOM 0 H ARG A 72 -9.249 1.347 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.638 3.458 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.540 2.307 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.594 4.039 -0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.943 3.526 -2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.448 3.123 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.656 0.766 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.950 1.089 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.418 0.818 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.247 1.701 -4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.781 2.215 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.173 1.754 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.985 2.245 -6.509 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.014 3.503 0.234 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.249 4.287 1.229 1.00 0.00 C ATOM 1082 C LEU A 73 -8.204 5.034 2.131 1.00 0.00 C ATOM 1083 O LEU A 73 -8.628 6.135 1.840 1.00 0.00 O ATOM 1084 CB LEU A 73 -6.275 5.220 0.522 1.00 0.00 C ATOM 1085 CG LEU A 73 -5.068 4.360 0.201 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -5.519 3.224 -0.708 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -3.971 5.153 -0.488 1.00 0.00 C ATOM 0 H LEU A 73 -7.635 2.577 0.038 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.659 3.618 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.715 5.636 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.002 6.061 1.159 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.656 3.978 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.665 2.592 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.277 2.629 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.938 3.637 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.126 4.498 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.352 5.566 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.646 5.965 0.162 1.00 0.00 H new ATOM 1099 N SER A 74 -8.571 4.426 3.226 1.00 0.00 N ATOM 1100 CA SER A 74 -9.525 5.097 4.124 1.00 0.00 C ATOM 1101 C SER A 74 -9.023 5.099 5.568 1.00 0.00 C ATOM 1102 O SER A 74 -9.797 5.033 6.502 1.00 0.00 O ATOM 1103 CB SER A 74 -10.883 4.398 4.052 1.00 0.00 C ATOM 1104 OG SER A 74 -11.819 5.250 3.404 1.00 0.00 O ATOM 0 H SER A 74 -8.251 3.505 3.527 1.00 0.00 H new ATOM 0 HA SER A 74 -9.625 6.132 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.792 3.458 3.507 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.232 4.153 5.055 1.00 0.00 H new ATOM 0 HG SER A 74 -12.690 4.803 3.356 1.00 0.00 H new ATOM 1110 N LYS A 75 -7.743 5.188 5.762 1.00 0.00 N ATOM 1111 CA LYS A 75 -7.204 5.210 7.153 1.00 0.00 C ATOM 1112 C LYS A 75 -7.587 3.915 7.873 1.00 0.00 C ATOM 1113 O LYS A 75 -7.733 2.908 7.201 1.00 0.00 O ATOM 1114 CB LYS A 75 -7.791 6.408 7.903 1.00 0.00 C ATOM 1115 CG LYS A 75 -6.705 7.058 8.762 1.00 0.00 C ATOM 1116 CD LYS A 75 -7.359 7.867 9.885 1.00 0.00 C ATOM 1117 CE LYS A 75 -6.425 9.003 10.305 1.00 0.00 C ATOM 1118 NZ LYS A 75 -5.112 8.436 10.724 1.00 0.00 N ATOM 1119 OXT LYS A 75 -7.727 3.953 9.085 1.00 0.00 O ATOM 0 H LYS A 75 -7.043 5.247 5.022 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.118 5.295 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.191 7.133 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.621 6.085 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.053 6.293 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.080 7.707 8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.313 8.272 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.570 7.221 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.286 9.699 9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.868 9.568 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.579 9.152 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.270 7.603 11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.570 8.156 9.882 1.00 0.00 H new