USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 614 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0128 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.18 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -35:sc= -0.427 USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= -0.94 (180deg=-2.89!) USER MOD Single : A 19 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 23 HIS : no HD1:sc= -0.594 K(o=-0.59,f=-1.1) USER MOD Single : A 24 THR OG1 : rot 130:sc= -0.886 USER MOD Single : A 25 TYR OH : rot 165:sc= -0.0382 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 162:sc= 0.294 USER MOD Single : A 33 HIS : no HD1:sc= -5.36! C(o=-5.4!,f=-5.3!) USER MOD Single : A 36 SER OG : rot 20:sc= 0.0733 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.4) USER MOD Single : A 44 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.3!) USER MOD Single : A 46 MET CE :methyl -130:sc= -0.183 (180deg=-1.17) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0513) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -170:sc= -0.093 (180deg=-0.297) USER MOD Single : A 54 ASN : amide:sc= -1.01 K(o=-1,f=0.49) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.77) USER MOD Single : A 62 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.32) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0721 USER MOD Single : A 69 MET CE :methyl 157:sc= -0.231 (180deg=-0.673) USER MOD Single : A 71 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-0.24) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 74 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.377) USER MOD Single : A 79 TYR OH : rot 61:sc= -0.6 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.814 25.707 -7.411 1.00 0.00 N ATOM 2 CA GLY A 1 20.835 24.309 -7.021 1.00 0.00 C ATOM 3 C GLY A 1 20.059 23.428 -7.978 1.00 0.00 C ATOM 4 O GLY A 1 19.018 23.830 -8.499 1.00 0.00 O ATOM 0 H1 GLY A 1 20.590 26.295 -6.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.746 25.977 -7.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.091 25.852 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.868 23.964 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.417 24.208 -6.019 1.00 0.00 H new ATOM 8 N SER A 2 20.566 22.222 -8.214 1.00 0.00 N ATOM 9 CA SER A 2 19.916 21.283 -9.120 1.00 0.00 C ATOM 10 C SER A 2 19.851 21.850 -10.535 1.00 0.00 C ATOM 11 O SER A 2 18.812 21.787 -11.193 1.00 0.00 O ATOM 12 CB SER A 2 18.507 20.955 -8.624 1.00 0.00 C ATOM 13 OG SER A 2 18.125 19.643 -9.002 1.00 0.00 O ATOM 0 H SER A 2 21.425 21.872 -7.790 1.00 0.00 H new ATOM 0 HA SER A 2 20.508 20.368 -9.141 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.469 21.050 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.798 21.675 -9.032 1.00 0.00 H new ATOM 0 HG SER A 2 17.221 19.457 -8.672 1.00 0.00 H new ATOM 19 N SER A 3 20.967 22.404 -10.996 1.00 0.00 N ATOM 20 CA SER A 3 21.037 22.986 -12.331 1.00 0.00 C ATOM 21 C SER A 3 20.585 21.981 -13.387 1.00 0.00 C ATOM 22 O SER A 3 19.771 22.298 -14.252 1.00 0.00 O ATOM 23 CB SER A 3 22.462 23.454 -12.633 1.00 0.00 C ATOM 24 OG SER A 3 22.744 24.682 -11.985 1.00 0.00 O ATOM 0 H SER A 3 21.836 22.462 -10.465 1.00 0.00 H new ATOM 0 HA SER A 3 20.366 23.845 -12.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.174 22.696 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.590 23.570 -13.709 1.00 0.00 H new ATOM 0 HG SER A 3 23.661 24.958 -12.193 1.00 0.00 H new ATOM 30 N GLY A 4 21.121 20.767 -13.307 1.00 0.00 N ATOM 31 CA GLY A 4 20.762 19.734 -14.260 1.00 0.00 C ATOM 32 C GLY A 4 20.419 18.419 -13.588 1.00 0.00 C ATOM 33 O GLY A 4 19.367 18.290 -12.963 1.00 0.00 O ATOM 0 H GLY A 4 21.797 20.481 -12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.910 20.070 -14.851 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.589 19.580 -14.953 1.00 0.00 H new ATOM 37 N SER A 5 21.308 17.440 -13.719 1.00 0.00 N ATOM 38 CA SER A 5 21.091 16.126 -13.124 1.00 0.00 C ATOM 39 C SER A 5 19.773 15.525 -13.600 1.00 0.00 C ATOM 40 O SER A 5 18.942 15.105 -12.795 1.00 0.00 O ATOM 41 CB SER A 5 21.097 16.227 -11.597 1.00 0.00 C ATOM 42 OG SER A 5 22.409 16.436 -11.105 1.00 0.00 O ATOM 0 H SER A 5 22.185 17.531 -14.232 1.00 0.00 H new ATOM 0 HA SER A 5 21.904 15.472 -13.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.452 17.047 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.685 15.314 -11.167 1.00 0.00 H new ATOM 0 HG SER A 5 22.386 16.499 -10.127 1.00 0.00 H new ATOM 48 N SER A 6 19.588 15.487 -14.916 1.00 0.00 N ATOM 49 CA SER A 6 18.369 14.941 -15.501 1.00 0.00 C ATOM 50 C SER A 6 18.573 13.490 -15.926 1.00 0.00 C ATOM 51 O SER A 6 18.288 13.118 -17.064 1.00 0.00 O ATOM 52 CB SER A 6 17.936 15.781 -16.705 1.00 0.00 C ATOM 53 OG SER A 6 17.159 16.894 -16.297 1.00 0.00 O ATOM 0 H SER A 6 20.267 15.828 -15.597 1.00 0.00 H new ATOM 0 HA SER A 6 17.586 14.973 -14.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.816 16.127 -17.247 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.360 15.164 -17.394 1.00 0.00 H new ATOM 0 HG SER A 6 16.896 17.416 -17.084 1.00 0.00 H new ATOM 59 N GLY A 7 19.070 12.674 -15.002 1.00 0.00 N ATOM 60 CA GLY A 7 19.304 11.273 -15.298 1.00 0.00 C ATOM 61 C GLY A 7 19.411 10.425 -14.046 1.00 0.00 C ATOM 62 O GLY A 7 19.027 10.858 -12.961 1.00 0.00 O ATOM 0 H GLY A 7 19.315 12.958 -14.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.492 10.896 -15.920 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.222 11.176 -15.878 1.00 0.00 H new ATOM 66 N GLY A 8 19.933 9.211 -14.197 1.00 0.00 N ATOM 67 CA GLY A 8 20.078 8.320 -13.062 1.00 0.00 C ATOM 68 C GLY A 8 20.265 9.068 -11.757 1.00 0.00 C ATOM 69 O GLY A 8 21.019 10.037 -11.675 1.00 0.00 O ATOM 0 H GLY A 8 20.258 8.830 -15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 8 19.196 7.683 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 8 20.932 7.663 -13.226 1.00 0.00 H new ATOM 73 N PRO A 9 19.564 8.616 -10.706 1.00 0.00 N ATOM 74 CA PRO A 9 19.638 9.236 -9.380 1.00 0.00 C ATOM 75 C PRO A 9 20.986 9.003 -8.706 1.00 0.00 C ATOM 76 O PRO A 9 21.459 7.870 -8.619 1.00 0.00 O ATOM 77 CB PRO A 9 18.522 8.538 -8.599 1.00 0.00 C ATOM 78 CG PRO A 9 18.350 7.223 -9.277 1.00 0.00 C ATOM 79 CD PRO A 9 18.645 7.466 -10.732 1.00 0.00 C ATOM 0 HA PRO A 9 19.529 10.319 -9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.792 8.410 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.600 9.119 -8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.027 6.478 -8.861 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.337 6.844 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.104 6.595 -11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 9 17.738 7.689 -11.294 1.00 0.00 H new ATOM 87 N ASP A 10 21.598 10.081 -8.229 1.00 0.00 N ATOM 88 CA ASP A 10 22.891 9.994 -7.561 1.00 0.00 C ATOM 89 C ASP A 10 22.883 10.782 -6.255 1.00 0.00 C ATOM 90 O ASP A 10 23.923 11.253 -5.794 1.00 0.00 O ATOM 91 CB ASP A 10 23.999 10.515 -8.478 1.00 0.00 C ATOM 92 CG ASP A 10 25.385 10.205 -7.945 1.00 0.00 C ATOM 93 OD1 ASP A 10 25.509 9.278 -7.118 1.00 0.00 O ATOM 94 OD2 ASP A 10 26.345 10.892 -8.354 1.00 0.00 O ATOM 0 H ASP A 10 21.219 11.026 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 10 23.083 8.946 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.886 10.072 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.891 11.593 -8.597 1.00 0.00 H new ATOM 99 N THR A 11 21.701 10.922 -5.662 1.00 0.00 N ATOM 100 CA THR A 11 21.556 11.655 -4.411 1.00 0.00 C ATOM 101 C THR A 11 20.769 10.844 -3.387 1.00 0.00 C ATOM 102 O THR A 11 20.257 9.768 -3.695 1.00 0.00 O ATOM 103 CB THR A 11 20.851 13.007 -4.630 1.00 0.00 C ATOM 104 OG1 THR A 11 19.575 12.800 -5.246 1.00 0.00 O ATOM 105 CG2 THR A 11 21.697 13.924 -5.499 1.00 0.00 C ATOM 0 H THR A 11 20.830 10.537 -6.029 1.00 0.00 H new ATOM 0 HA THR A 11 22.562 11.836 -4.032 1.00 0.00 H new ATOM 0 HB THR A 11 20.712 13.481 -3.658 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.133 13.664 -5.380 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.178 14.872 -5.640 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.656 14.103 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 11 21.864 13.455 -6.468 1.00 0.00 H new ATOM 113 N ASP A 12 20.676 11.367 -2.170 1.00 0.00 N ATOM 114 CA ASP A 12 19.950 10.693 -1.101 1.00 0.00 C ATOM 115 C ASP A 12 19.370 11.703 -0.116 1.00 0.00 C ATOM 116 O ASP A 12 19.928 12.782 0.082 1.00 0.00 O ATOM 117 CB ASP A 12 20.870 9.717 -0.367 1.00 0.00 C ATOM 118 CG ASP A 12 22.124 10.388 0.160 1.00 0.00 C ATOM 119 OD1 ASP A 12 22.067 10.964 1.266 1.00 0.00 O ATOM 120 OD2 ASP A 12 23.161 10.337 -0.534 1.00 0.00 O ATOM 0 H ASP A 12 21.095 12.257 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 12 19.127 10.137 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.327 9.265 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 12 21.150 8.909 -1.042 1.00 0.00 H new ATOM 125 N ASP A 13 18.247 11.346 0.498 1.00 0.00 N ATOM 126 CA ASP A 13 17.591 12.221 1.462 1.00 0.00 C ATOM 127 C ASP A 13 16.492 11.476 2.213 1.00 0.00 C ATOM 128 O ASP A 13 15.703 10.731 1.629 1.00 0.00 O ATOM 129 CB ASP A 13 17.004 13.445 0.756 1.00 0.00 C ATOM 130 CG ASP A 13 16.993 14.674 1.643 1.00 0.00 C ATOM 131 OD1 ASP A 13 16.033 14.833 2.425 1.00 0.00 O ATOM 132 OD2 ASP A 13 17.944 15.479 1.554 1.00 0.00 O ATOM 0 H ASP A 13 17.772 10.456 0.345 1.00 0.00 H new ATOM 0 HA ASP A 13 18.339 12.551 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.583 13.655 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.986 13.223 0.435 1.00 0.00 H new ATOM 137 N PRO A 14 16.437 11.678 3.537 1.00 0.00 N ATOM 138 CA PRO A 14 15.439 11.034 4.396 1.00 0.00 C ATOM 139 C PRO A 14 14.033 11.574 4.157 1.00 0.00 C ATOM 140 O PRO A 14 13.052 11.018 4.650 1.00 0.00 O ATOM 141 CB PRO A 14 15.911 11.381 5.810 1.00 0.00 C ATOM 142 CG PRO A 14 16.693 12.639 5.651 1.00 0.00 C ATOM 143 CD PRO A 14 17.345 12.553 4.299 1.00 0.00 C ATOM 0 HA PRO A 14 15.368 9.963 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.067 11.522 6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.525 10.584 6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.044 13.513 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.440 12.737 6.439 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.440 13.535 3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.349 12.133 4.363 1.00 0.00 H new ATOM 151 N ARG A 15 13.943 12.660 3.396 1.00 0.00 N ATOM 152 CA ARG A 15 12.656 13.275 3.092 1.00 0.00 C ATOM 153 C ARG A 15 12.039 12.654 1.842 1.00 0.00 C ATOM 154 O ARG A 15 10.822 12.482 1.758 1.00 0.00 O ATOM 155 CB ARG A 15 12.821 14.783 2.896 1.00 0.00 C ATOM 156 CG ARG A 15 13.296 15.510 4.144 1.00 0.00 C ATOM 157 CD ARG A 15 13.344 17.014 3.928 1.00 0.00 C ATOM 158 NE ARG A 15 14.560 17.430 3.235 1.00 0.00 N ATOM 159 CZ ARG A 15 15.014 18.678 3.233 1.00 0.00 C ATOM 160 NH1 ARG A 15 14.356 19.628 3.883 1.00 0.00 N ATOM 161 NH2 ARG A 15 16.130 18.979 2.579 1.00 0.00 N ATOM 0 H ARG A 15 14.745 13.132 2.979 1.00 0.00 H new ATOM 0 HA ARG A 15 11.988 13.096 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.532 14.961 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.868 15.206 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.629 15.282 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.286 15.149 4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.473 17.325 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.285 17.520 4.891 1.00 0.00 H new ATOM 0 HE ARG A 15 15.090 16.723 2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.498 19.401 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.707 20.586 3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 15 16.639 18.251 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 15 16.478 19.938 2.578 1.00 0.00 H new ATOM 175 N SER A 16 12.885 12.319 0.873 1.00 0.00 N ATOM 176 CA SER A 16 12.423 11.722 -0.374 1.00 0.00 C ATOM 177 C SER A 16 12.236 10.216 -0.218 1.00 0.00 C ATOM 178 O SER A 16 11.539 9.579 -1.008 1.00 0.00 O ATOM 179 CB SER A 16 13.415 12.010 -1.501 1.00 0.00 C ATOM 180 OG SER A 16 14.606 11.260 -1.337 1.00 0.00 O ATOM 0 H SER A 16 13.895 12.451 0.928 1.00 0.00 H new ATOM 0 HA SER A 16 11.460 12.166 -0.626 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.959 11.769 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.651 13.074 -1.519 1.00 0.00 H new ATOM 0 HG SER A 16 14.807 11.170 -0.382 1.00 0.00 H new ATOM 186 N LYS A 17 12.865 9.651 0.807 1.00 0.00 N ATOM 187 CA LYS A 17 12.770 8.220 1.070 1.00 0.00 C ATOM 188 C LYS A 17 11.325 7.742 0.961 1.00 0.00 C ATOM 189 O LYS A 17 10.389 8.536 1.064 1.00 0.00 O ATOM 190 CB LYS A 17 13.322 7.898 2.461 1.00 0.00 C ATOM 191 CG LYS A 17 14.828 7.704 2.487 1.00 0.00 C ATOM 192 CD LYS A 17 15.221 6.323 1.991 1.00 0.00 C ATOM 193 CE LYS A 17 14.917 5.251 3.027 1.00 0.00 C ATOM 194 NZ LYS A 17 13.541 4.704 2.872 1.00 0.00 N ATOM 0 H LYS A 17 13.447 10.163 1.470 1.00 0.00 H new ATOM 0 HA LYS A 17 13.365 7.698 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.056 8.705 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.841 6.994 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.304 8.463 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.196 7.845 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.685 6.101 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.285 6.310 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.642 4.442 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.031 5.670 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.938 5.058 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.148 5.006 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.574 3.665 2.908 1.00 0.00 H new ATOM 208 N HIS A 18 11.151 6.440 0.755 1.00 0.00 N ATOM 209 CA HIS A 18 9.820 5.857 0.635 1.00 0.00 C ATOM 210 C HIS A 18 9.288 5.432 2.001 1.00 0.00 C ATOM 211 O HIS A 18 10.055 5.062 2.890 1.00 0.00 O ATOM 212 CB HIS A 18 9.850 4.655 -0.310 1.00 0.00 C ATOM 213 CG HIS A 18 9.588 5.012 -1.741 1.00 0.00 C ATOM 214 ND1 HIS A 18 8.320 5.205 -2.248 1.00 0.00 N ATOM 215 CD2 HIS A 18 10.439 5.213 -2.773 1.00 0.00 C ATOM 216 CE1 HIS A 18 8.403 5.507 -3.532 1.00 0.00 C ATOM 217 NE2 HIS A 18 9.679 5.519 -3.875 1.00 0.00 N ATOM 0 H HIS A 18 11.915 5.770 0.668 1.00 0.00 H new ATOM 0 HA HIS A 18 9.153 6.616 0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 18 10.824 4.170 -0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.107 3.928 0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 18 11.516 5.145 -2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.570 5.709 -4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.041 5.722 -4.807 1.00 0.00 H new ATOM 225 N LYS A 19 7.970 5.488 2.161 1.00 0.00 N ATOM 226 CA LYS A 19 7.334 5.109 3.417 1.00 0.00 C ATOM 227 C LYS A 19 6.521 3.829 3.250 1.00 0.00 C ATOM 228 O LYS A 19 5.449 3.682 3.837 1.00 0.00 O ATOM 229 CB LYS A 19 6.430 6.239 3.916 1.00 0.00 C ATOM 230 CG LYS A 19 7.193 7.462 4.393 1.00 0.00 C ATOM 231 CD LYS A 19 6.291 8.681 4.484 1.00 0.00 C ATOM 232 CE LYS A 19 7.076 9.971 4.303 1.00 0.00 C ATOM 233 NZ LYS A 19 7.285 10.296 2.865 1.00 0.00 N ATOM 0 H LYS A 19 7.321 5.793 1.435 1.00 0.00 H new ATOM 0 HA LYS A 19 8.118 4.928 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.754 6.533 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.812 5.865 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.633 7.260 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.017 7.668 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.514 8.617 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.789 8.692 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.545 10.790 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.042 9.881 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.824 11.182 2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.814 9.526 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.363 10.407 2.397 1.00 0.00 H new ATOM 247 N PHE A 20 7.040 2.905 2.449 1.00 0.00 N ATOM 248 CA PHE A 20 6.362 1.636 2.206 1.00 0.00 C ATOM 249 C PHE A 20 6.047 0.928 3.520 1.00 0.00 C ATOM 250 O PHE A 20 6.942 0.420 4.196 1.00 0.00 O ATOM 251 CB PHE A 20 7.225 0.734 1.321 1.00 0.00 C ATOM 252 CG PHE A 20 7.398 1.254 -0.077 1.00 0.00 C ATOM 253 CD1 PHE A 20 6.316 1.755 -0.783 1.00 0.00 C ATOM 254 CD2 PHE A 20 8.643 1.242 -0.685 1.00 0.00 C ATOM 255 CE1 PHE A 20 6.472 2.234 -2.070 1.00 0.00 C ATOM 256 CE2 PHE A 20 8.805 1.721 -1.972 1.00 0.00 C ATOM 257 CZ PHE A 20 7.718 2.217 -2.665 1.00 0.00 C ATOM 0 H PHE A 20 7.927 3.010 1.957 1.00 0.00 H new ATOM 0 HA PHE A 20 5.424 1.846 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.206 0.619 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.775 -0.258 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.339 1.771 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.496 0.854 -0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.620 2.621 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.781 1.707 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.842 2.591 -3.671 1.00 0.00 H new ATOM 267 N LYS A 21 4.767 0.898 3.878 1.00 0.00 N ATOM 268 CA LYS A 21 4.331 0.252 5.110 1.00 0.00 C ATOM 269 C LYS A 21 3.635 -1.072 4.813 1.00 0.00 C ATOM 270 O LYS A 21 2.614 -1.106 4.124 1.00 0.00 O ATOM 271 CB LYS A 21 3.389 1.174 5.887 1.00 0.00 C ATOM 272 CG LYS A 21 3.454 0.982 7.392 1.00 0.00 C ATOM 273 CD LYS A 21 2.606 -0.196 7.841 1.00 0.00 C ATOM 274 CE LYS A 21 2.654 -0.374 9.351 1.00 0.00 C ATOM 275 NZ LYS A 21 3.933 -0.993 9.797 1.00 0.00 N ATOM 0 H LYS A 21 4.013 1.314 3.331 1.00 0.00 H new ATOM 0 HA LYS A 21 5.213 0.049 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.632 2.210 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.367 1.001 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.489 0.823 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.112 1.889 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.574 -0.045 7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.959 -1.106 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.532 0.595 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.819 -0.997 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.926 -1.097 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.038 -1.929 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.729 -0.386 9.516 1.00 0.00 H new ATOM 289 N ILE A 22 4.191 -2.158 5.338 1.00 0.00 N ATOM 290 CA ILE A 22 3.620 -3.484 5.131 1.00 0.00 C ATOM 291 C ILE A 22 2.177 -3.543 5.618 1.00 0.00 C ATOM 292 O ILE A 22 1.900 -3.335 6.800 1.00 0.00 O ATOM 293 CB ILE A 22 4.440 -4.569 5.854 1.00 0.00 C ATOM 294 CG1 ILE A 22 3.720 -5.917 5.780 1.00 0.00 C ATOM 295 CG2 ILE A 22 4.683 -4.171 7.302 1.00 0.00 C ATOM 296 CD1 ILE A 22 3.842 -6.593 4.432 1.00 0.00 C ATOM 0 H ILE A 22 5.036 -2.147 5.910 1.00 0.00 H new ATOM 0 HA ILE A 22 3.646 -3.675 4.058 1.00 0.00 H new ATOM 0 HB ILE A 22 5.405 -4.666 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.124 -6.578 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.665 -5.769 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.264 -4.947 7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.233 -3.230 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.727 -4.050 7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.308 -7.543 4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.412 -5.951 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.894 -6.772 4.209 1.00 0.00 H new ATOM 308 N HIS A 23 1.259 -3.830 4.700 1.00 0.00 N ATOM 309 CA HIS A 23 -0.157 -3.920 5.037 1.00 0.00 C ATOM 310 C HIS A 23 -0.849 -4.988 4.195 1.00 0.00 C ATOM 311 O HIS A 23 -0.322 -5.426 3.172 1.00 0.00 O ATOM 312 CB HIS A 23 -0.840 -2.568 4.827 1.00 0.00 C ATOM 313 CG HIS A 23 -2.249 -2.523 5.333 1.00 0.00 C ATOM 314 ND1 HIS A 23 -2.601 -2.892 6.614 1.00 0.00 N ATOM 315 CD2 HIS A 23 -3.397 -2.149 4.721 1.00 0.00 C ATOM 316 CE1 HIS A 23 -3.905 -2.748 6.769 1.00 0.00 C ATOM 317 NE2 HIS A 23 -4.412 -2.298 5.635 1.00 0.00 N ATOM 0 H HIS A 23 1.471 -4.004 3.717 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.238 -4.201 6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.258 -1.795 5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.837 -2.330 3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.497 -1.799 3.704 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.462 -2.962 7.669 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.397 -2.094 5.466 1.00 0.00 H new ATOM 325 N THR A 24 -2.033 -5.405 4.633 1.00 0.00 N ATOM 326 CA THR A 24 -2.796 -6.423 3.922 1.00 0.00 C ATOM 327 C THR A 24 -3.813 -5.790 2.980 1.00 0.00 C ATOM 328 O THR A 24 -4.306 -4.690 3.231 1.00 0.00 O ATOM 329 CB THR A 24 -3.532 -7.359 4.900 1.00 0.00 C ATOM 330 OG1 THR A 24 -2.666 -7.717 5.982 1.00 0.00 O ATOM 331 CG2 THR A 24 -4.010 -8.616 4.189 1.00 0.00 C ATOM 0 H THR A 24 -2.484 -5.053 5.477 1.00 0.00 H new ATOM 0 HA THR A 24 -2.081 -7.006 3.342 1.00 0.00 H new ATOM 0 HB THR A 24 -4.400 -6.829 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.127 -7.566 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.527 -9.262 4.899 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.693 -8.342 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.154 -9.147 3.773 1.00 0.00 H new ATOM 339 N TYR A 25 -4.123 -6.490 1.894 1.00 0.00 N ATOM 340 CA TYR A 25 -5.080 -5.995 0.913 1.00 0.00 C ATOM 341 C TYR A 25 -6.316 -6.888 0.859 1.00 0.00 C ATOM 342 O TYR A 25 -6.238 -8.091 1.103 1.00 0.00 O ATOM 343 CB TYR A 25 -4.431 -5.919 -0.470 1.00 0.00 C ATOM 344 CG TYR A 25 -3.074 -5.253 -0.467 1.00 0.00 C ATOM 345 CD1 TYR A 25 -1.983 -5.859 0.142 1.00 0.00 C ATOM 346 CD2 TYR A 25 -2.884 -4.017 -1.072 1.00 0.00 C ATOM 347 CE1 TYR A 25 -0.741 -5.254 0.149 1.00 0.00 C ATOM 348 CE2 TYR A 25 -1.645 -3.405 -1.071 1.00 0.00 C ATOM 349 CZ TYR A 25 -0.577 -4.027 -0.460 1.00 0.00 C ATOM 350 OH TYR A 25 0.658 -3.420 -0.456 1.00 0.00 O ATOM 0 H TYR A 25 -3.725 -7.402 1.671 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.390 -4.995 1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.330 -6.928 -0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.093 -5.373 -1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.108 -6.820 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.718 -3.526 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.097 -5.739 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.514 -2.444 -1.546 1.00 0.00 H new ATOM 0 HH TYR A 25 0.669 -2.696 -1.116 1.00 0.00 H new ATOM 360 N GLY A 26 -7.458 -6.288 0.536 1.00 0.00 N ATOM 361 CA GLY A 26 -8.695 -7.042 0.455 1.00 0.00 C ATOM 362 C GLY A 26 -8.982 -7.536 -0.950 1.00 0.00 C ATOM 363 O GLY A 26 -9.851 -8.384 -1.151 1.00 0.00 O ATOM 0 H GLY A 26 -7.548 -5.293 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.643 -7.894 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.521 -6.416 0.793 1.00 0.00 H new ATOM 367 N SER A 27 -8.252 -7.003 -1.924 1.00 0.00 N ATOM 368 CA SER A 27 -8.436 -7.390 -3.317 1.00 0.00 C ATOM 369 C SER A 27 -7.093 -7.670 -3.985 1.00 0.00 C ATOM 370 O SER A 27 -6.034 -7.276 -3.497 1.00 0.00 O ATOM 371 CB SER A 27 -9.179 -6.291 -4.080 1.00 0.00 C ATOM 372 OG SER A 27 -10.580 -6.501 -4.040 1.00 0.00 O ATOM 0 H SER A 27 -7.527 -6.301 -1.774 1.00 0.00 H new ATOM 0 HA SER A 27 -9.031 -8.303 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.941 -5.319 -3.648 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.841 -6.270 -5.116 1.00 0.00 H new ATOM 0 HG SER A 27 -11.032 -5.785 -4.533 1.00 0.00 H new ATOM 378 N PRO A 28 -7.137 -8.368 -5.130 1.00 0.00 N ATOM 379 CA PRO A 28 -5.933 -8.716 -5.891 1.00 0.00 C ATOM 380 C PRO A 28 -5.287 -7.499 -6.543 1.00 0.00 C ATOM 381 O PRO A 28 -5.739 -7.028 -7.588 1.00 0.00 O ATOM 382 CB PRO A 28 -6.456 -9.681 -6.959 1.00 0.00 C ATOM 383 CG PRO A 28 -7.892 -9.321 -7.124 1.00 0.00 C ATOM 384 CD PRO A 28 -8.365 -8.869 -5.770 1.00 0.00 C ATOM 0 HA PRO A 28 -5.157 -9.142 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.910 -9.569 -7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.341 -10.719 -6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.013 -8.530 -7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.471 -10.176 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.124 -8.090 -5.849 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.807 -9.689 -5.204 1.00 0.00 H new ATOM 392 N THR A 29 -4.227 -6.993 -5.922 1.00 0.00 N ATOM 393 CA THR A 29 -3.519 -5.830 -6.441 1.00 0.00 C ATOM 394 C THR A 29 -2.291 -6.246 -7.243 1.00 0.00 C ATOM 395 O THR A 29 -1.667 -7.268 -6.956 1.00 0.00 O ATOM 396 CB THR A 29 -3.081 -4.885 -5.306 1.00 0.00 C ATOM 397 OG1 THR A 29 -3.911 -5.083 -4.156 1.00 0.00 O ATOM 398 CG2 THR A 29 -3.159 -3.433 -5.751 1.00 0.00 C ATOM 0 H THR A 29 -3.839 -7.371 -5.058 1.00 0.00 H new ATOM 0 HA THR A 29 -4.215 -5.303 -7.094 1.00 0.00 H new ATOM 0 HB THR A 29 -2.047 -5.115 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.470 -4.707 -3.366 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.845 -2.784 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.503 -3.279 -6.608 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.185 -3.193 -6.031 1.00 0.00 H new ATOM 406 N PHE A 30 -1.948 -5.449 -8.249 1.00 0.00 N ATOM 407 CA PHE A 30 -0.794 -5.735 -9.093 1.00 0.00 C ATOM 408 C PHE A 30 0.366 -4.799 -8.764 1.00 0.00 C ATOM 409 O PHE A 30 0.176 -3.596 -8.585 1.00 0.00 O ATOM 410 CB PHE A 30 -1.169 -5.602 -10.570 1.00 0.00 C ATOM 411 CG PHE A 30 -1.813 -6.833 -11.138 1.00 0.00 C ATOM 412 CD1 PHE A 30 -1.040 -7.888 -11.595 1.00 0.00 C ATOM 413 CD2 PHE A 30 -3.193 -6.936 -11.217 1.00 0.00 C ATOM 414 CE1 PHE A 30 -1.630 -9.023 -12.118 1.00 0.00 C ATOM 415 CE2 PHE A 30 -3.788 -8.069 -11.739 1.00 0.00 C ATOM 416 CZ PHE A 30 -3.006 -9.113 -12.192 1.00 0.00 C ATOM 0 H PHE A 30 -2.453 -4.599 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.478 -6.760 -8.897 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.849 -4.758 -10.689 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.272 -5.373 -11.145 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.037 -7.823 -11.542 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.810 -6.122 -10.867 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.015 -9.839 -12.469 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.864 -8.138 -11.793 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.469 -9.998 -12.603 1.00 0.00 H new ATOM 426 N CYS A 31 1.568 -5.361 -8.685 1.00 0.00 N ATOM 427 CA CYS A 31 2.759 -4.579 -8.377 1.00 0.00 C ATOM 428 C CYS A 31 2.902 -3.403 -9.340 1.00 0.00 C ATOM 429 O CYS A 31 2.351 -3.418 -10.440 1.00 0.00 O ATOM 430 CB CYS A 31 4.006 -5.463 -8.446 1.00 0.00 C ATOM 431 SG CYS A 31 5.503 -4.692 -7.751 1.00 0.00 S ATOM 0 H CYS A 31 1.743 -6.355 -8.830 1.00 0.00 H new ATOM 0 HA CYS A 31 2.655 -4.187 -7.365 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.809 -6.393 -7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.195 -5.725 -9.487 1.00 0.00 H new ATOM 436 N ASP A 32 3.645 -2.387 -8.916 1.00 0.00 N ATOM 437 CA ASP A 32 3.861 -1.203 -9.740 1.00 0.00 C ATOM 438 C ASP A 32 5.292 -1.163 -10.267 1.00 0.00 C ATOM 439 O ASP A 32 5.564 -0.565 -11.309 1.00 0.00 O ATOM 440 CB ASP A 32 3.565 0.064 -8.937 1.00 0.00 C ATOM 441 CG ASP A 32 3.018 1.183 -9.802 1.00 0.00 C ATOM 442 OD1 ASP A 32 2.424 0.880 -10.857 1.00 0.00 O ATOM 443 OD2 ASP A 32 3.186 2.362 -9.424 1.00 0.00 O ATOM 0 H ASP A 32 4.108 -2.359 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 32 3.180 -1.252 -10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.847 -0.167 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.478 0.401 -8.446 1.00 0.00 H new ATOM 448 N HIS A 33 6.204 -1.801 -9.541 1.00 0.00 N ATOM 449 CA HIS A 33 7.607 -1.838 -9.935 1.00 0.00 C ATOM 450 C HIS A 33 7.832 -2.856 -11.049 1.00 0.00 C ATOM 451 O HIS A 33 8.215 -2.499 -12.163 1.00 0.00 O ATOM 452 CB HIS A 33 8.489 -2.177 -8.733 1.00 0.00 C ATOM 453 CG HIS A 33 9.953 -2.193 -9.048 1.00 0.00 C ATOM 454 ND1 HIS A 33 10.794 -1.137 -8.769 1.00 0.00 N ATOM 455 CD2 HIS A 33 10.725 -3.146 -9.621 1.00 0.00 C ATOM 456 CE1 HIS A 33 12.020 -1.438 -9.158 1.00 0.00 C ATOM 457 NE2 HIS A 33 12.005 -2.653 -9.678 1.00 0.00 N ATOM 0 H HIS A 33 5.996 -2.300 -8.676 1.00 0.00 H new ATOM 0 HA HIS A 33 7.879 -0.851 -10.308 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.304 -1.451 -7.941 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.199 -3.153 -8.344 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.395 -4.114 -9.969 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.887 -0.800 -9.067 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.813 -3.145 -10.060 1.00 0.00 H new ATOM 465 N CYS A 34 7.593 -4.126 -10.740 1.00 0.00 N ATOM 466 CA CYS A 34 7.770 -5.197 -11.713 1.00 0.00 C ATOM 467 C CYS A 34 6.518 -5.368 -12.568 1.00 0.00 C ATOM 468 O CYS A 34 6.597 -5.470 -13.792 1.00 0.00 O ATOM 469 CB CYS A 34 8.098 -6.512 -11.002 1.00 0.00 C ATOM 470 SG CYS A 34 6.727 -7.182 -10.009 1.00 0.00 S ATOM 0 H CYS A 34 7.276 -4.439 -9.822 1.00 0.00 H new ATOM 0 HA CYS A 34 8.600 -4.927 -12.365 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.389 -7.253 -11.747 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.960 -6.357 -10.353 1.00 0.00 H new ATOM 475 N GLY A 35 5.360 -5.397 -11.914 1.00 0.00 N ATOM 476 CA GLY A 35 4.107 -5.555 -12.629 1.00 0.00 C ATOM 477 C GLY A 35 3.622 -6.991 -12.639 1.00 0.00 C ATOM 478 O GLY A 35 3.519 -7.612 -13.697 1.00 0.00 O ATOM 0 H GLY A 35 5.268 -5.314 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.348 -4.922 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.232 -5.210 -13.655 1.00 0.00 H new ATOM 482 N SER A 36 3.326 -7.522 -11.456 1.00 0.00 N ATOM 483 CA SER A 36 2.854 -8.896 -11.332 1.00 0.00 C ATOM 484 C SER A 36 1.828 -9.019 -10.210 1.00 0.00 C ATOM 485 O SER A 36 1.964 -8.394 -9.157 1.00 0.00 O ATOM 486 CB SER A 36 4.030 -9.839 -11.069 1.00 0.00 C ATOM 487 OG SER A 36 4.692 -10.177 -12.276 1.00 0.00 O ATOM 0 H SER A 36 3.405 -7.021 -10.571 1.00 0.00 H new ATOM 0 HA SER A 36 2.375 -9.176 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.734 -9.366 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.672 -10.745 -10.581 1.00 0.00 H new ATOM 0 HG SER A 36 4.481 -9.511 -12.963 1.00 0.00 H new ATOM 493 N LEU A 37 0.801 -9.829 -10.442 1.00 0.00 N ATOM 494 CA LEU A 37 -0.250 -10.035 -9.451 1.00 0.00 C ATOM 495 C LEU A 37 0.347 -10.334 -8.079 1.00 0.00 C ATOM 496 O LEU A 37 1.211 -11.200 -7.941 1.00 0.00 O ATOM 497 CB LEU A 37 -1.166 -11.181 -9.882 1.00 0.00 C ATOM 498 CG LEU A 37 -2.534 -11.240 -9.200 1.00 0.00 C ATOM 499 CD1 LEU A 37 -2.448 -12.019 -7.897 1.00 0.00 C ATOM 500 CD2 LEU A 37 -3.065 -9.836 -8.950 1.00 0.00 C ATOM 0 H LEU A 37 0.673 -10.354 -11.307 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.835 -9.118 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.322 -11.110 -10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.649 -12.122 -9.696 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.228 -11.757 -9.863 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.431 -12.050 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.111 -13.035 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.740 -11.531 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.039 -9.896 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.372 -9.294 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.165 -9.310 -9.900 1.00 0.00 H new ATOM 512 N LEU A 38 -0.122 -9.612 -7.067 1.00 0.00 N ATOM 513 CA LEU A 38 0.363 -9.801 -5.704 1.00 0.00 C ATOM 514 C LEU A 38 -0.323 -10.992 -5.042 1.00 0.00 C ATOM 515 O LEU A 38 -1.521 -10.954 -4.762 1.00 0.00 O ATOM 516 CB LEU A 38 0.125 -8.536 -4.877 1.00 0.00 C ATOM 517 CG LEU A 38 0.907 -7.295 -5.309 1.00 0.00 C ATOM 518 CD1 LEU A 38 0.204 -6.031 -4.838 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.330 -7.348 -4.772 1.00 0.00 C ATOM 0 H LEU A 38 -0.837 -8.891 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 38 1.433 -10.002 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.939 -8.300 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.372 -8.753 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 38 0.951 -7.277 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.775 -5.158 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.795 -5.988 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.128 -6.040 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.872 -6.457 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.307 -7.390 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.832 -8.235 -5.159 1.00 0.00 H new ATOM 531 N TYR A 39 0.445 -12.046 -4.792 1.00 0.00 N ATOM 532 CA TYR A 39 -0.088 -13.249 -4.163 1.00 0.00 C ATOM 533 C TYR A 39 0.016 -13.161 -2.643 1.00 0.00 C ATOM 534 O TYR A 39 0.766 -12.345 -2.107 1.00 0.00 O ATOM 535 CB TYR A 39 0.656 -14.486 -4.666 1.00 0.00 C ATOM 536 CG TYR A 39 0.165 -14.986 -6.005 1.00 0.00 C ATOM 537 CD1 TYR A 39 0.270 -14.198 -7.144 1.00 0.00 C ATOM 538 CD2 TYR A 39 -0.404 -16.247 -6.132 1.00 0.00 C ATOM 539 CE1 TYR A 39 -0.178 -14.650 -8.370 1.00 0.00 C ATOM 540 CE2 TYR A 39 -0.854 -16.709 -7.354 1.00 0.00 C ATOM 541 CZ TYR A 39 -0.739 -15.906 -8.470 1.00 0.00 C ATOM 542 OH TYR A 39 -1.186 -16.361 -9.690 1.00 0.00 O ATOM 0 H TYR A 39 1.439 -12.092 -5.015 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.141 -13.333 -4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.718 -14.255 -4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.555 -15.284 -3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.710 -13.214 -7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.496 -16.877 -5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.089 -14.023 -9.245 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.293 -17.692 -7.435 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.552 -17.264 -9.588 1.00 0.00 H new ATOM 552 N GLY A 40 -0.741 -14.009 -1.954 1.00 0.00 N ATOM 553 CA GLY A 40 -0.719 -14.012 -0.503 1.00 0.00 C ATOM 554 C GLY A 40 -2.001 -13.469 0.097 1.00 0.00 C ATOM 555 O GLY A 40 -2.760 -12.766 -0.571 1.00 0.00 O ATOM 0 H GLY A 40 -1.369 -14.694 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.557 -15.030 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.123 -13.415 -0.154 1.00 0.00 H new ATOM 559 N LEU A 41 -2.246 -13.798 1.361 1.00 0.00 N ATOM 560 CA LEU A 41 -3.447 -13.340 2.052 1.00 0.00 C ATOM 561 C LEU A 41 -3.113 -12.237 3.052 1.00 0.00 C ATOM 562 O LEU A 41 -3.788 -11.209 3.104 1.00 0.00 O ATOM 563 CB LEU A 41 -4.122 -14.509 2.771 1.00 0.00 C ATOM 564 CG LEU A 41 -5.048 -15.377 1.918 1.00 0.00 C ATOM 565 CD1 LEU A 41 -4.250 -16.146 0.877 1.00 0.00 C ATOM 566 CD2 LEU A 41 -5.843 -16.332 2.797 1.00 0.00 C ATOM 0 H LEU A 41 -1.629 -14.380 1.928 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.132 -12.934 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.346 -15.147 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.697 -14.112 3.607 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.749 -14.725 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.926 -16.758 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.727 -15.444 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.524 -16.788 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.497 -16.942 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.157 -16.978 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.445 -15.761 3.503 1.00 0.00 H new ATOM 578 N ILE A 42 -2.067 -12.458 3.841 1.00 0.00 N ATOM 579 CA ILE A 42 -1.642 -11.482 4.836 1.00 0.00 C ATOM 580 C ILE A 42 -0.266 -10.917 4.500 1.00 0.00 C ATOM 581 O ILE A 42 0.646 -11.656 4.124 1.00 0.00 O ATOM 582 CB ILE A 42 -1.600 -12.098 6.247 1.00 0.00 C ATOM 583 CG1 ILE A 42 -1.093 -11.071 7.261 1.00 0.00 C ATOM 584 CG2 ILE A 42 -0.720 -13.339 6.257 1.00 0.00 C ATOM 585 CD1 ILE A 42 -2.193 -10.230 7.871 1.00 0.00 C ATOM 0 H ILE A 42 -1.498 -13.304 3.810 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.377 -10.677 4.821 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.611 -12.391 6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.560 -11.591 8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.373 -10.414 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.700 -13.763 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.121 -14.075 5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.293 -13.069 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.761 -9.524 8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.711 -9.682 7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.901 -10.877 8.389 1.00 0.00 H new ATOM 597 N HIS A 43 -0.122 -9.603 4.638 1.00 0.00 N ATOM 598 CA HIS A 43 1.145 -8.939 4.351 1.00 0.00 C ATOM 599 C HIS A 43 1.655 -9.317 2.964 1.00 0.00 C ATOM 600 O HIS A 43 2.835 -9.617 2.787 1.00 0.00 O ATOM 601 CB HIS A 43 2.188 -9.304 5.408 1.00 0.00 C ATOM 602 CG HIS A 43 1.720 -9.082 6.813 1.00 0.00 C ATOM 603 ND1 HIS A 43 1.861 -10.023 7.811 1.00 0.00 N ATOM 604 CD2 HIS A 43 1.110 -8.017 7.385 1.00 0.00 C ATOM 605 CE1 HIS A 43 1.358 -9.547 8.936 1.00 0.00 C ATOM 606 NE2 HIS A 43 0.896 -8.332 8.705 1.00 0.00 N ATOM 0 H HIS A 43 -0.866 -8.977 4.946 1.00 0.00 H new ATOM 0 HA HIS A 43 0.976 -7.862 4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.465 -10.351 5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.089 -8.715 5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.842 -7.093 6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.330 -10.064 9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.452 -7.726 9.395 1.00 0.00 H new ATOM 614 N GLN A 44 0.757 -9.303 1.984 1.00 0.00 N ATOM 615 CA GLN A 44 1.117 -9.646 0.613 1.00 0.00 C ATOM 616 C GLN A 44 2.281 -8.790 0.125 1.00 0.00 C ATOM 617 O GLN A 44 3.242 -9.301 -0.448 1.00 0.00 O ATOM 618 CB GLN A 44 -0.088 -9.466 -0.313 1.00 0.00 C ATOM 619 CG GLN A 44 -1.132 -10.562 -0.173 1.00 0.00 C ATOM 620 CD GLN A 44 -2.439 -10.213 -0.857 1.00 0.00 C ATOM 621 OE1 GLN A 44 -2.531 -10.217 -2.085 1.00 0.00 O ATOM 622 NE2 GLN A 44 -3.460 -9.910 -0.064 1.00 0.00 N ATOM 0 H GLN A 44 -0.225 -9.058 2.114 1.00 0.00 H new ATOM 0 HA GLN A 44 1.427 -10.691 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.554 -8.503 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.259 -9.436 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.741 -11.487 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.318 -10.748 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.339 -9.919 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.365 -9.668 -0.468 1.00 0.00 H new ATOM 631 N GLY A 45 2.187 -7.484 0.357 1.00 0.00 N ATOM 632 CA GLY A 45 3.238 -6.578 -0.066 1.00 0.00 C ATOM 633 C GLY A 45 3.321 -5.339 0.804 1.00 0.00 C ATOM 634 O GLY A 45 2.977 -5.378 1.985 1.00 0.00 O ATOM 0 H GLY A 45 1.401 -7.038 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.195 -7.100 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.063 -6.281 -1.100 1.00 0.00 H new ATOM 638 N MET A 46 3.781 -4.238 0.220 1.00 0.00 N ATOM 639 CA MET A 46 3.908 -2.982 0.950 1.00 0.00 C ATOM 640 C MET A 46 3.173 -1.857 0.230 1.00 0.00 C ATOM 641 O MET A 46 2.974 -1.908 -0.984 1.00 0.00 O ATOM 642 CB MET A 46 5.383 -2.615 1.123 1.00 0.00 C ATOM 643 CG MET A 46 6.280 -3.812 1.394 1.00 0.00 C ATOM 644 SD MET A 46 7.853 -3.346 2.143 1.00 0.00 S ATOM 645 CE MET A 46 7.327 -2.929 3.803 1.00 0.00 C ATOM 0 H MET A 46 4.072 -4.190 -0.756 1.00 0.00 H new ATOM 0 HA MET A 46 3.456 -3.115 1.933 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.730 -2.107 0.223 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.478 -1.906 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.761 -4.509 2.052 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.469 -4.338 0.459 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.730 -1.954 4.078 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.238 -2.896 3.842 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.693 -3.682 4.501 1.00 0.00 H new ATOM 655 N LYS A 47 2.770 -0.840 0.985 1.00 0.00 N ATOM 656 CA LYS A 47 2.057 0.299 0.419 1.00 0.00 C ATOM 657 C LYS A 47 2.559 1.608 1.020 1.00 0.00 C ATOM 658 O LYS A 47 2.461 1.826 2.228 1.00 0.00 O ATOM 659 CB LYS A 47 0.553 0.157 0.662 1.00 0.00 C ATOM 660 CG LYS A 47 -0.270 1.280 0.055 1.00 0.00 C ATOM 661 CD LYS A 47 -0.652 0.977 -1.384 1.00 0.00 C ATOM 662 CE LYS A 47 -1.981 0.241 -1.465 1.00 0.00 C ATOM 663 NZ LYS A 47 -3.134 1.149 -1.212 1.00 0.00 N ATOM 0 H LYS A 47 2.925 -0.782 1.991 1.00 0.00 H new ATOM 0 HA LYS A 47 2.245 0.317 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.215 -0.794 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.369 0.122 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.172 1.432 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.297 2.210 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.715 1.907 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.128 0.374 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.085 -0.213 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.992 -0.571 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.018 0.668 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.162 1.402 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.028 2.012 -1.783 1.00 0.00 H new ATOM 677 N CYS A 48 3.094 2.477 0.169 1.00 0.00 N ATOM 678 CA CYS A 48 3.610 3.765 0.616 1.00 0.00 C ATOM 679 C CYS A 48 2.493 4.628 1.195 1.00 0.00 C ATOM 680 O CYS A 48 1.311 4.335 1.013 1.00 0.00 O ATOM 681 CB CYS A 48 4.285 4.498 -0.546 1.00 0.00 C ATOM 682 SG CYS A 48 5.393 5.849 -0.029 1.00 0.00 S ATOM 0 H CYS A 48 3.181 2.313 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 48 4.346 3.581 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.856 3.779 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.515 4.905 -1.202 1.00 0.00 H new ATOM 687 N ASP A 49 2.876 5.691 1.894 1.00 0.00 N ATOM 688 CA ASP A 49 1.907 6.597 2.499 1.00 0.00 C ATOM 689 C ASP A 49 1.841 7.914 1.732 1.00 0.00 C ATOM 690 O ASP A 49 0.900 8.692 1.891 1.00 0.00 O ATOM 691 CB ASP A 49 2.269 6.862 3.961 1.00 0.00 C ATOM 692 CG ASP A 49 1.204 7.663 4.685 1.00 0.00 C ATOM 693 OD1 ASP A 49 1.044 8.860 4.367 1.00 0.00 O ATOM 694 OD2 ASP A 49 0.532 7.093 5.569 1.00 0.00 O ATOM 0 H ASP A 49 3.850 5.946 2.056 1.00 0.00 H new ATOM 0 HA ASP A 49 0.927 6.123 2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.416 5.912 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.217 7.399 4.006 1.00 0.00 H new ATOM 699 N THR A 50 2.848 8.159 0.899 1.00 0.00 N ATOM 700 CA THR A 50 2.906 9.382 0.109 1.00 0.00 C ATOM 701 C THR A 50 2.567 9.110 -1.352 1.00 0.00 C ATOM 702 O THR A 50 1.917 9.922 -2.011 1.00 0.00 O ATOM 703 CB THR A 50 4.299 10.036 0.187 1.00 0.00 C ATOM 704 OG1 THR A 50 4.342 11.198 -0.648 1.00 0.00 O ATOM 705 CG2 THR A 50 5.381 9.057 -0.241 1.00 0.00 C ATOM 0 H THR A 50 3.635 7.526 0.754 1.00 0.00 H new ATOM 0 HA THR A 50 2.168 10.065 0.530 1.00 0.00 H new ATOM 0 HB THR A 50 4.483 10.326 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.230 11.609 -0.592 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.355 9.541 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.365 8.187 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.199 8.740 -1.268 1.00 0.00 H new ATOM 713 N CYS A 51 3.010 7.962 -1.853 1.00 0.00 N ATOM 714 CA CYS A 51 2.753 7.581 -3.237 1.00 0.00 C ATOM 715 C CYS A 51 1.901 6.317 -3.304 1.00 0.00 C ATOM 716 O CYS A 51 1.563 5.840 -4.388 1.00 0.00 O ATOM 717 CB CYS A 51 4.072 7.361 -3.980 1.00 0.00 C ATOM 718 SG CYS A 51 4.924 5.812 -3.540 1.00 0.00 S ATOM 0 H CYS A 51 3.549 7.279 -1.321 1.00 0.00 H new ATOM 0 HA CYS A 51 2.205 8.393 -3.716 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.877 7.364 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.737 8.200 -3.774 1.00 0.00 H new ATOM 723 N ASP A 52 1.557 5.780 -2.139 1.00 0.00 N ATOM 724 CA ASP A 52 0.743 4.572 -2.064 1.00 0.00 C ATOM 725 C ASP A 52 1.019 3.657 -3.253 1.00 0.00 C ATOM 726 O ASP A 52 0.099 3.247 -3.960 1.00 0.00 O ATOM 727 CB ASP A 52 -0.742 4.934 -2.017 1.00 0.00 C ATOM 728 CG ASP A 52 -1.067 6.157 -2.852 1.00 0.00 C ATOM 729 OD1 ASP A 52 -0.630 7.265 -2.476 1.00 0.00 O ATOM 730 OD2 ASP A 52 -1.757 6.007 -3.882 1.00 0.00 O ATOM 0 H ASP A 52 1.829 6.162 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 52 1.008 4.041 -1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.330 4.088 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.036 5.115 -0.983 1.00 0.00 H new ATOM 735 N MET A 53 2.292 3.341 -3.467 1.00 0.00 N ATOM 736 CA MET A 53 2.688 2.474 -4.571 1.00 0.00 C ATOM 737 C MET A 53 2.817 1.026 -4.106 1.00 0.00 C ATOM 738 O MET A 53 3.754 0.676 -3.390 1.00 0.00 O ATOM 739 CB MET A 53 4.013 2.949 -5.170 1.00 0.00 C ATOM 740 CG MET A 53 4.247 2.463 -6.591 1.00 0.00 C ATOM 741 SD MET A 53 5.744 3.150 -7.323 1.00 0.00 S ATOM 742 CE MET A 53 6.955 1.928 -6.827 1.00 0.00 C ATOM 0 H MET A 53 3.066 3.672 -2.891 1.00 0.00 H new ATOM 0 HA MET A 53 1.913 2.524 -5.336 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.037 4.039 -5.159 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.832 2.605 -4.538 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.313 1.375 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.390 2.731 -7.208 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.956 2.297 -7.049 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.866 1.741 -5.757 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.781 1.001 -7.373 1.00 0.00 H new ATOM 752 N ASN A 54 1.869 0.191 -4.517 1.00 0.00 N ATOM 753 CA ASN A 54 1.877 -1.219 -4.142 1.00 0.00 C ATOM 754 C ASN A 54 3.034 -1.954 -4.811 1.00 0.00 C ATOM 755 O ASN A 54 3.108 -2.032 -6.038 1.00 0.00 O ATOM 756 CB ASN A 54 0.550 -1.877 -4.524 1.00 0.00 C ATOM 757 CG ASN A 54 0.018 -1.376 -5.853 1.00 0.00 C ATOM 758 OD1 ASN A 54 0.720 -1.400 -6.864 1.00 0.00 O ATOM 759 ND2 ASN A 54 -1.229 -0.919 -5.856 1.00 0.00 N ATOM 0 H ASN A 54 1.085 0.465 -5.110 1.00 0.00 H new ATOM 0 HA ASN A 54 2.008 -1.281 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.684 -2.958 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.187 -1.683 -3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.642 -0.569 -6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.774 -0.918 -4.994 1.00 0.00 H new ATOM 766 N VAL A 55 3.937 -2.492 -3.997 1.00 0.00 N ATOM 767 CA VAL A 55 5.090 -3.223 -4.510 1.00 0.00 C ATOM 768 C VAL A 55 5.407 -4.431 -3.637 1.00 0.00 C ATOM 769 O VAL A 55 5.037 -4.478 -2.463 1.00 0.00 O ATOM 770 CB VAL A 55 6.335 -2.320 -4.591 1.00 0.00 C ATOM 771 CG1 VAL A 55 6.130 -1.218 -5.619 1.00 0.00 C ATOM 772 CG2 VAL A 55 6.657 -1.733 -3.225 1.00 0.00 C ATOM 0 H VAL A 55 3.892 -2.435 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 55 4.830 -3.562 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 55 7.182 -2.927 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.020 -0.590 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.952 -1.662 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.271 -0.610 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.539 -1.098 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.812 -1.140 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.851 -2.540 -2.519 1.00 0.00 H new ATOM 782 N HIS A 56 6.096 -5.409 -4.217 1.00 0.00 N ATOM 783 CA HIS A 56 6.465 -6.619 -3.491 1.00 0.00 C ATOM 784 C HIS A 56 7.522 -6.317 -2.433 1.00 0.00 C ATOM 785 O HIS A 56 8.313 -5.384 -2.578 1.00 0.00 O ATOM 786 CB HIS A 56 6.986 -7.681 -4.460 1.00 0.00 C ATOM 787 CG HIS A 56 5.947 -8.182 -5.415 1.00 0.00 C ATOM 788 ND1 HIS A 56 5.934 -7.852 -6.754 1.00 0.00 N ATOM 789 CD2 HIS A 56 4.882 -8.994 -5.219 1.00 0.00 C ATOM 790 CE1 HIS A 56 4.906 -8.438 -7.340 1.00 0.00 C ATOM 791 NE2 HIS A 56 4.252 -9.138 -6.430 1.00 0.00 N ATOM 0 H HIS A 56 6.410 -5.387 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 56 5.574 -6.999 -2.991 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.819 -7.266 -5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.378 -8.522 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.584 -9.445 -4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.644 -8.359 -8.385 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.415 -9.695 -6.600 1.00 0.00 H new ATOM 799 N LYS A 57 7.529 -7.110 -1.367 1.00 0.00 N ATOM 800 CA LYS A 57 8.488 -6.929 -0.284 1.00 0.00 C ATOM 801 C LYS A 57 9.919 -6.980 -0.810 1.00 0.00 C ATOM 802 O LYS A 57 10.820 -6.364 -0.242 1.00 0.00 O ATOM 803 CB LYS A 57 8.288 -8.003 0.787 1.00 0.00 C ATOM 804 CG LYS A 57 7.327 -7.592 1.889 1.00 0.00 C ATOM 805 CD LYS A 57 8.052 -6.907 3.035 1.00 0.00 C ATOM 806 CE LYS A 57 7.304 -7.075 4.349 1.00 0.00 C ATOM 807 NZ LYS A 57 8.185 -6.829 5.524 1.00 0.00 N ATOM 0 H LYS A 57 6.880 -7.885 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 57 8.317 -5.948 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.917 -8.912 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.254 -8.246 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.571 -6.920 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.803 -8.472 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.056 -7.321 3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.165 -5.846 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.460 -6.386 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.894 -8.083 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.638 -6.953 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.977 -7.503 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.556 -5.858 5.482 1.00 0.00 H new ATOM 821 N GLN A 58 10.119 -7.717 -1.897 1.00 0.00 N ATOM 822 CA GLN A 58 11.440 -7.848 -2.499 1.00 0.00 C ATOM 823 C GLN A 58 11.643 -6.810 -3.598 1.00 0.00 C ATOM 824 O GLN A 58 12.768 -6.559 -4.030 1.00 0.00 O ATOM 825 CB GLN A 58 11.628 -9.255 -3.069 1.00 0.00 C ATOM 826 CG GLN A 58 10.796 -9.523 -4.313 1.00 0.00 C ATOM 827 CD GLN A 58 10.589 -11.003 -4.568 1.00 0.00 C ATOM 828 OE1 GLN A 58 11.265 -11.847 -3.979 1.00 0.00 O ATOM 829 NE2 GLN A 58 9.650 -11.327 -5.450 1.00 0.00 N ATOM 0 H GLN A 58 9.383 -8.233 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 58 12.184 -7.677 -1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.681 -9.404 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.368 -9.986 -2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.826 -9.037 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.286 -9.074 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.113 -10.595 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.466 -12.308 -5.662 1.00 0.00 H new ATOM 838 N CYS A 59 10.546 -6.209 -4.047 1.00 0.00 N ATOM 839 CA CYS A 59 10.602 -5.199 -5.097 1.00 0.00 C ATOM 840 C CYS A 59 10.969 -3.835 -4.519 1.00 0.00 C ATOM 841 O CYS A 59 11.404 -2.939 -5.243 1.00 0.00 O ATOM 842 CB CYS A 59 9.258 -5.113 -5.823 1.00 0.00 C ATOM 843 SG CYS A 59 9.126 -6.205 -7.275 1.00 0.00 S ATOM 0 H CYS A 59 9.607 -6.404 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 59 11.373 -5.492 -5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.462 -5.361 -5.121 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.094 -4.083 -6.140 1.00 0.00 H new ATOM 848 N VAL A 60 10.789 -3.684 -3.211 1.00 0.00 N ATOM 849 CA VAL A 60 11.102 -2.431 -2.535 1.00 0.00 C ATOM 850 C VAL A 60 12.601 -2.153 -2.559 1.00 0.00 C ATOM 851 O VAL A 60 13.035 -1.016 -2.373 1.00 0.00 O ATOM 852 CB VAL A 60 10.617 -2.444 -1.073 1.00 0.00 C ATOM 853 CG1 VAL A 60 9.137 -2.790 -1.005 1.00 0.00 C ATOM 854 CG2 VAL A 60 11.440 -3.422 -0.248 1.00 0.00 C ATOM 0 H VAL A 60 10.428 -4.415 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 60 10.580 -1.642 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 60 10.752 -1.447 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.812 -2.795 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.564 -2.048 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.973 -3.776 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.084 -3.419 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.338 -4.424 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.488 -3.125 -0.271 1.00 0.00 H new ATOM 864 N ILE A 61 13.387 -3.199 -2.789 1.00 0.00 N ATOM 865 CA ILE A 61 14.838 -3.067 -2.839 1.00 0.00 C ATOM 866 C ILE A 61 15.288 -2.428 -4.149 1.00 0.00 C ATOM 867 O ILE A 61 16.389 -1.888 -4.241 1.00 0.00 O ATOM 868 CB ILE A 61 15.533 -4.433 -2.682 1.00 0.00 C ATOM 869 CG1 ILE A 61 17.026 -4.241 -2.404 1.00 0.00 C ATOM 870 CG2 ILE A 61 15.326 -5.279 -3.929 1.00 0.00 C ATOM 871 CD1 ILE A 61 17.727 -5.509 -1.968 1.00 0.00 C ATOM 0 H ILE A 61 13.044 -4.147 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 61 15.125 -2.424 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 61 15.089 -4.955 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.509 -3.859 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.149 -3.483 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 61 15.823 -6.241 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 61 14.260 -5.439 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 61 15.747 -4.764 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.781 -5.299 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.270 -5.881 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 61 17.635 -6.263 -2.750 1.00 0.00 H new ATOM 883 N ASN A 62 14.426 -2.493 -5.159 1.00 0.00 N ATOM 884 CA ASN A 62 14.734 -1.919 -6.464 1.00 0.00 C ATOM 885 C ASN A 62 14.260 -0.471 -6.547 1.00 0.00 C ATOM 886 O ASN A 62 14.977 0.401 -7.038 1.00 0.00 O ATOM 887 CB ASN A 62 14.081 -2.745 -7.574 1.00 0.00 C ATOM 888 CG ASN A 62 14.572 -4.180 -7.592 1.00 0.00 C ATOM 889 OD1 ASN A 62 15.563 -4.500 -8.248 1.00 0.00 O ATOM 890 ND2 ASN A 62 13.878 -5.052 -6.869 1.00 0.00 N ATOM 0 H ASN A 62 13.510 -2.937 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 62 15.816 -1.937 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.999 -2.736 -7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.288 -2.281 -8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.161 -6.032 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.063 -4.742 -6.340 1.00 0.00 H new ATOM 897 N VAL A 63 13.048 -0.222 -6.062 1.00 0.00 N ATOM 898 CA VAL A 63 12.479 1.120 -6.079 1.00 0.00 C ATOM 899 C VAL A 63 13.501 2.157 -5.626 1.00 0.00 C ATOM 900 O VAL A 63 14.259 1.945 -4.680 1.00 0.00 O ATOM 901 CB VAL A 63 11.234 1.214 -5.176 1.00 0.00 C ATOM 902 CG1 VAL A 63 10.697 2.636 -5.153 1.00 0.00 C ATOM 903 CG2 VAL A 63 10.164 0.238 -5.642 1.00 0.00 C ATOM 0 H VAL A 63 12.441 -0.932 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 63 12.188 1.327 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 63 11.522 0.944 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.818 2.683 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.464 3.308 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.424 2.938 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.292 0.317 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.877 0.475 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.556 -0.778 -5.600 1.00 0.00 H new ATOM 913 N PRO A 64 13.524 3.306 -6.317 1.00 0.00 N ATOM 914 CA PRO A 64 14.448 4.400 -6.003 1.00 0.00 C ATOM 915 C PRO A 64 14.109 5.085 -4.684 1.00 0.00 C ATOM 916 O PRO A 64 12.957 5.445 -4.439 1.00 0.00 O ATOM 917 CB PRO A 64 14.261 5.369 -7.173 1.00 0.00 C ATOM 918 CG PRO A 64 12.885 5.096 -7.675 1.00 0.00 C ATOM 919 CD PRO A 64 12.648 3.627 -7.457 1.00 0.00 C ATOM 0 HA PRO A 64 15.472 4.047 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.366 6.405 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.007 5.200 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.148 5.694 -7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.797 5.353 -8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.602 3.418 -7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.907 3.043 -8.340 1.00 0.00 H new ATOM 927 N SER A 65 15.118 5.263 -3.838 1.00 0.00 N ATOM 928 CA SER A 65 14.926 5.903 -2.542 1.00 0.00 C ATOM 929 C SER A 65 13.897 7.026 -2.638 1.00 0.00 C ATOM 930 O SER A 65 12.806 6.934 -2.073 1.00 0.00 O ATOM 931 CB SER A 65 16.253 6.455 -2.020 1.00 0.00 C ATOM 932 OG SER A 65 16.702 7.540 -2.813 1.00 0.00 O ATOM 0 H SER A 65 16.077 4.973 -4.027 1.00 0.00 H new ATOM 0 HA SER A 65 14.555 5.152 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.133 6.781 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.004 5.665 -2.020 1.00 0.00 H new ATOM 0 HG SER A 65 17.551 7.876 -2.457 1.00 0.00 H new ATOM 938 N LEU A 66 14.253 8.085 -3.357 1.00 0.00 N ATOM 939 CA LEU A 66 13.362 9.227 -3.528 1.00 0.00 C ATOM 940 C LEU A 66 11.929 8.768 -3.779 1.00 0.00 C ATOM 941 O LEU A 66 11.693 7.633 -4.195 1.00 0.00 O ATOM 942 CB LEU A 66 13.839 10.102 -4.688 1.00 0.00 C ATOM 943 CG LEU A 66 13.840 9.445 -6.069 1.00 0.00 C ATOM 944 CD1 LEU A 66 12.497 9.643 -6.754 1.00 0.00 C ATOM 945 CD2 LEU A 66 14.966 10.004 -6.925 1.00 0.00 C ATOM 0 H LEU A 66 15.152 8.176 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 66 13.381 9.811 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.208 10.990 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.851 10.441 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 66 14.006 8.375 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.516 9.169 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.710 9.193 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.301 10.709 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.951 9.525 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.832 11.079 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.923 9.809 -6.440 1.00 0.00 H new ATOM 957 N CYS A 67 10.975 9.657 -3.525 1.00 0.00 N ATOM 958 CA CYS A 67 9.565 9.345 -3.725 1.00 0.00 C ATOM 959 C CYS A 67 8.737 10.621 -3.844 1.00 0.00 C ATOM 960 O CYS A 67 9.163 11.692 -3.416 1.00 0.00 O ATOM 961 CB CYS A 67 9.042 8.490 -2.569 1.00 0.00 C ATOM 962 SG CYS A 67 7.228 8.327 -2.526 1.00 0.00 S ATOM 0 H CYS A 67 11.153 10.600 -3.180 1.00 0.00 H new ATOM 0 HA CYS A 67 9.471 8.784 -4.655 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.484 7.496 -2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.379 8.925 -1.628 1.00 0.00 H new ATOM 967 N GLY A 68 7.549 10.497 -4.428 1.00 0.00 N ATOM 968 CA GLY A 68 6.679 11.647 -4.593 1.00 0.00 C ATOM 969 C GLY A 68 6.687 12.181 -6.011 1.00 0.00 C ATOM 970 O GLY A 68 6.732 13.392 -6.225 1.00 0.00 O ATOM 0 H GLY A 68 7.173 9.620 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.661 11.371 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.991 12.436 -3.909 1.00 0.00 H new ATOM 974 N MET A 69 6.644 11.276 -6.983 1.00 0.00 N ATOM 975 CA MET A 69 6.647 11.664 -8.389 1.00 0.00 C ATOM 976 C MET A 69 6.419 10.452 -9.288 1.00 0.00 C ATOM 977 O MET A 69 7.127 9.451 -9.187 1.00 0.00 O ATOM 978 CB MET A 69 7.971 12.340 -8.751 1.00 0.00 C ATOM 979 CG MET A 69 9.164 11.399 -8.713 1.00 0.00 C ATOM 980 SD MET A 69 10.734 12.273 -8.564 1.00 0.00 S ATOM 981 CE MET A 69 10.621 12.889 -6.886 1.00 0.00 C ATOM 0 H MET A 69 6.607 10.269 -6.823 1.00 0.00 H new ATOM 0 HA MET A 69 5.832 12.370 -8.547 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.889 12.770 -9.749 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.148 13.166 -8.062 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.054 10.713 -7.873 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.174 10.794 -9.620 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.622 13.083 -6.501 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.043 13.813 -6.876 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.129 12.146 -6.258 1.00 0.00 H new ATOM 991 N ASP A 70 5.427 10.551 -10.165 1.00 0.00 N ATOM 992 CA ASP A 70 5.106 9.464 -11.082 1.00 0.00 C ATOM 993 C ASP A 70 5.824 9.647 -12.415 1.00 0.00 C ATOM 994 O ASP A 70 5.314 9.258 -13.466 1.00 0.00 O ATOM 995 CB ASP A 70 3.595 9.388 -11.309 1.00 0.00 C ATOM 996 CG ASP A 70 3.124 7.978 -11.604 1.00 0.00 C ATOM 997 OD1 ASP A 70 3.798 7.280 -12.390 1.00 0.00 O ATOM 998 OD2 ASP A 70 2.081 7.572 -11.050 1.00 0.00 O ATOM 0 H ASP A 70 4.831 11.373 -10.260 1.00 0.00 H new ATOM 0 HA ASP A 70 5.445 8.531 -10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.079 9.763 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.322 10.040 -12.139 1.00 0.00 H new ATOM 1003 N HIS A 71 7.011 10.244 -12.365 1.00 0.00 N ATOM 1004 CA HIS A 71 7.800 10.480 -13.569 1.00 0.00 C ATOM 1005 C HIS A 71 9.222 10.902 -13.213 1.00 0.00 C ATOM 1006 O HIS A 71 9.430 11.879 -12.492 1.00 0.00 O ATOM 1007 CB HIS A 71 7.139 11.553 -14.435 1.00 0.00 C ATOM 1008 CG HIS A 71 7.823 11.766 -15.751 1.00 0.00 C ATOM 1009 ND1 HIS A 71 7.922 10.784 -16.714 1.00 0.00 N ATOM 1010 CD2 HIS A 71 8.441 12.856 -16.261 1.00 0.00 C ATOM 1011 CE1 HIS A 71 8.574 11.262 -17.760 1.00 0.00 C ATOM 1012 NE2 HIS A 71 8.900 12.517 -17.510 1.00 0.00 N ATOM 0 H HIS A 71 7.447 10.573 -11.504 1.00 0.00 H new ATOM 0 HA HIS A 71 7.847 9.547 -14.131 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.101 11.274 -14.615 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.125 12.494 -13.885 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.553 13.815 -15.776 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.801 10.718 -18.665 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.410 13.134 -18.142 1.00 0.00 H new ATOM 1020 N THR A 72 10.200 10.159 -13.723 1.00 0.00 N ATOM 1021 CA THR A 72 11.602 10.455 -13.457 1.00 0.00 C ATOM 1022 C THR A 72 12.028 11.754 -14.132 1.00 0.00 C ATOM 1023 O THR A 72 11.848 11.924 -15.337 1.00 0.00 O ATOM 1024 CB THR A 72 12.518 9.314 -13.939 1.00 0.00 C ATOM 1025 OG1 THR A 72 11.897 8.612 -15.022 1.00 0.00 O ATOM 1026 CG2 THR A 72 12.819 8.346 -12.806 1.00 0.00 C ATOM 0 H THR A 72 10.046 9.348 -14.322 1.00 0.00 H new ATOM 0 HA THR A 72 11.703 10.561 -12.377 1.00 0.00 H new ATOM 0 HB THR A 72 13.457 9.751 -14.280 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.486 7.889 -15.324 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.467 7.549 -13.171 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.318 8.878 -11.996 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.888 7.916 -12.438 1.00 0.00 H new ATOM 1034 N GLU A 73 12.594 12.666 -13.348 1.00 0.00 N ATOM 1035 CA GLU A 73 13.045 13.949 -13.872 1.00 0.00 C ATOM 1036 C GLU A 73 13.988 14.638 -12.889 1.00 0.00 C ATOM 1037 O GLU A 73 13.785 14.585 -11.676 1.00 0.00 O ATOM 1038 CB GLU A 73 11.847 14.855 -14.166 1.00 0.00 C ATOM 1039 CG GLU A 73 11.320 14.725 -15.585 1.00 0.00 C ATOM 1040 CD GLU A 73 12.427 14.722 -16.621 1.00 0.00 C ATOM 1041 OE1 GLU A 73 13.262 15.650 -16.601 1.00 0.00 O ATOM 1042 OE2 GLU A 73 12.459 13.789 -17.451 1.00 0.00 O ATOM 0 H GLU A 73 12.751 12.540 -12.348 1.00 0.00 H new ATOM 0 HA GLU A 73 13.587 13.763 -14.799 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.045 14.621 -13.466 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.133 15.891 -13.987 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.744 13.804 -15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.637 15.549 -15.792 1.00 0.00 H new ATOM 1049 N LYS A 74 15.019 15.283 -13.421 1.00 0.00 N ATOM 1050 CA LYS A 74 15.994 15.983 -12.594 1.00 0.00 C ATOM 1051 C LYS A 74 16.205 15.257 -11.269 1.00 0.00 C ATOM 1052 O LYS A 74 16.081 15.850 -10.198 1.00 0.00 O ATOM 1053 CB LYS A 74 15.535 17.419 -12.332 1.00 0.00 C ATOM 1054 CG LYS A 74 16.679 18.404 -12.166 1.00 0.00 C ATOM 1055 CD LYS A 74 16.188 19.750 -11.662 1.00 0.00 C ATOM 1056 CE LYS A 74 15.804 20.670 -12.811 1.00 0.00 C ATOM 1057 NZ LYS A 74 14.372 20.515 -13.190 1.00 0.00 N ATOM 0 H LYS A 74 15.202 15.336 -14.423 1.00 0.00 H new ATOM 0 HA LYS A 74 16.941 16.003 -13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 74 14.903 17.746 -13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.919 17.436 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.411 17.998 -11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.188 18.536 -13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.328 19.603 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.967 20.221 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.995 21.705 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.434 20.455 -13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.294 20.431 -14.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.985 19.659 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.836 21.346 -12.869 1.00 0.00 H new ATOM 1071 N ARG A 75 16.526 13.970 -11.350 1.00 0.00 N ATOM 1072 CA ARG A 75 16.755 13.163 -10.158 1.00 0.00 C ATOM 1073 C ARG A 75 18.241 13.101 -9.819 1.00 0.00 C ATOM 1074 O ARG A 75 18.641 13.357 -8.684 1.00 0.00 O ATOM 1075 CB ARG A 75 16.208 11.748 -10.360 1.00 0.00 C ATOM 1076 CG ARG A 75 16.884 10.990 -11.491 1.00 0.00 C ATOM 1077 CD ARG A 75 15.996 9.877 -12.025 1.00 0.00 C ATOM 1078 NE ARG A 75 16.254 9.599 -13.435 1.00 0.00 N ATOM 1079 CZ ARG A 75 16.037 8.418 -14.003 1.00 0.00 C ATOM 1080 NH1 ARG A 75 15.559 7.411 -13.285 1.00 0.00 N ATOM 1081 NH2 ARG A 75 16.297 8.243 -15.292 1.00 0.00 N ATOM 0 H ARG A 75 16.633 13.464 -12.229 1.00 0.00 H new ATOM 0 HA ARG A 75 16.230 13.633 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.328 11.185 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 75 15.138 11.806 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 75 17.129 11.681 -12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.824 10.568 -11.137 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.160 8.971 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 75 14.950 10.155 -11.896 1.00 0.00 H new ATOM 0 HE ARG A 75 16.621 10.353 -14.016 1.00 0.00 H new ATOM 0 HH11 ARG A 75 15.357 7.542 -12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.393 6.505 -13.724 1.00 0.00 H new ATOM 0 HH21 ARG A 75 16.664 9.016 -15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 75 16.130 7.336 -15.727 1.00 0.00 H new ATOM 1095 N GLY A 76 19.056 12.759 -10.813 1.00 0.00 N ATOM 1096 CA GLY A 76 20.489 12.669 -10.601 1.00 0.00 C ATOM 1097 C GLY A 76 21.280 12.923 -11.869 1.00 0.00 C ATOM 1098 O GLY A 76 20.710 13.258 -12.907 1.00 0.00 O ATOM 0 H GLY A 76 18.749 12.543 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 76 20.787 13.391 -9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 76 20.735 11.680 -10.215 1.00 0.00 H new ATOM 1102 N ARG A 77 22.596 12.763 -11.785 1.00 0.00 N ATOM 1103 CA ARG A 77 23.467 12.980 -12.934 1.00 0.00 C ATOM 1104 C ARG A 77 22.885 12.332 -14.187 1.00 0.00 C ATOM 1105 O ARG A 77 21.916 11.575 -14.113 1.00 0.00 O ATOM 1106 CB ARG A 77 24.862 12.417 -12.657 1.00 0.00 C ATOM 1107 CG ARG A 77 25.518 12.999 -11.414 1.00 0.00 C ATOM 1108 CD ARG A 77 25.838 14.474 -11.592 1.00 0.00 C ATOM 1109 NE ARG A 77 26.953 14.685 -12.512 1.00 0.00 N ATOM 1110 CZ ARG A 77 27.606 15.837 -12.624 1.00 0.00 C ATOM 1111 NH1 ARG A 77 27.258 16.875 -11.876 1.00 0.00 N ATOM 1112 NH2 ARG A 77 28.610 15.951 -13.484 1.00 0.00 N ATOM 0 H ARG A 77 23.083 12.484 -10.933 1.00 0.00 H new ATOM 0 HA ARG A 77 23.543 14.054 -13.103 1.00 0.00 H new ATOM 0 HB2 ARG A 77 24.793 11.335 -12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 77 25.500 12.610 -13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 77 24.856 12.870 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 77 26.434 12.451 -11.194 1.00 0.00 H new ATOM 0 HD2 ARG A 77 24.956 14.994 -11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 77 26.079 14.912 -10.624 1.00 0.00 H new ATOM 0 HE ARG A 77 27.246 13.905 -13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 77 26.488 16.790 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 77 27.761 17.758 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 77 28.881 15.154 -14.060 1.00 0.00 H new ATOM 0 HH22 ARG A 77 29.111 16.836 -13.569 1.00 0.00 H new ATOM 1126 N ILE A 78 23.482 12.634 -15.335 1.00 0.00 N ATOM 1127 CA ILE A 78 23.024 12.081 -16.603 1.00 0.00 C ATOM 1128 C ILE A 78 23.718 10.758 -16.908 1.00 0.00 C ATOM 1129 O ILE A 78 24.497 10.658 -17.857 1.00 0.00 O ATOM 1130 CB ILE A 78 23.272 13.059 -17.766 1.00 0.00 C ATOM 1131 CG1 ILE A 78 22.745 14.451 -17.412 1.00 0.00 C ATOM 1132 CG2 ILE A 78 22.614 12.545 -19.039 1.00 0.00 C ATOM 1133 CD1 ILE A 78 21.267 14.475 -17.093 1.00 0.00 C ATOM 0 H ILE A 78 24.284 13.259 -15.413 1.00 0.00 H new ATOM 0 HA ILE A 78 21.952 11.912 -16.505 1.00 0.00 H new ATOM 0 HB ILE A 78 24.346 13.131 -17.938 1.00 0.00 H new ATOM 0 HG12 ILE A 78 23.300 14.833 -16.555 1.00 0.00 H new ATOM 0 HG13 ILE A 78 22.940 15.127 -18.245 1.00 0.00 H new ATOM 0 HG21 ILE A 78 22.798 13.247 -19.853 1.00 0.00 H new ATOM 0 HG22 ILE A 78 23.032 11.572 -19.298 1.00 0.00 H new ATOM 0 HG23 ILE A 78 21.540 12.447 -18.880 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.963 15.494 -16.851 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.703 14.123 -17.957 1.00 0.00 H new ATOM 0 HD13 ILE A 78 21.068 13.825 -16.241 1.00 0.00 H new ATOM 1145 N TYR A 79 23.429 9.744 -16.100 1.00 0.00 N ATOM 1146 CA TYR A 79 24.026 8.426 -16.284 1.00 0.00 C ATOM 1147 C TYR A 79 23.038 7.324 -15.915 1.00 0.00 C ATOM 1148 O TYR A 79 22.575 7.244 -14.776 1.00 0.00 O ATOM 1149 CB TYR A 79 25.293 8.295 -15.437 1.00 0.00 C ATOM 1150 CG TYR A 79 25.021 8.183 -13.954 1.00 0.00 C ATOM 1151 CD1 TYR A 79 24.336 9.183 -13.275 1.00 0.00 C ATOM 1152 CD2 TYR A 79 25.448 7.075 -13.231 1.00 0.00 C ATOM 1153 CE1 TYR A 79 24.086 9.085 -11.920 1.00 0.00 C ATOM 1154 CE2 TYR A 79 25.201 6.968 -11.876 1.00 0.00 C ATOM 1155 CZ TYR A 79 24.520 7.975 -11.225 1.00 0.00 C ATOM 1156 OH TYR A 79 24.272 7.873 -9.875 1.00 0.00 O ATOM 0 H TYR A 79 22.785 9.809 -15.311 1.00 0.00 H new ATOM 0 HA TYR A 79 24.287 8.317 -17.337 1.00 0.00 H new ATOM 0 HB2 TYR A 79 25.849 7.416 -15.763 1.00 0.00 H new ATOM 0 HB3 TYR A 79 25.931 9.160 -15.617 1.00 0.00 H new ATOM 0 HD1 TYR A 79 23.993 10.052 -13.816 1.00 0.00 H new ATOM 0 HD2 TYR A 79 25.982 6.284 -13.737 1.00 0.00 H new ATOM 0 HE1 TYR A 79 23.554 9.873 -11.408 1.00 0.00 H new ATOM 0 HE2 TYR A 79 25.539 6.100 -11.329 1.00 0.00 H new ATOM 0 HH TYR A 79 23.305 7.879 -9.719 1.00 0.00 H new ATOM 1166 N LEU A 80 22.719 6.476 -16.886 1.00 0.00 N ATOM 1167 CA LEU A 80 21.786 5.376 -16.665 1.00 0.00 C ATOM 1168 C LEU A 80 22.413 4.043 -17.058 1.00 0.00 C ATOM 1169 O LEU A 80 22.939 3.892 -18.161 1.00 0.00 O ATOM 1170 CB LEU A 80 20.501 5.603 -17.465 1.00 0.00 C ATOM 1171 CG LEU A 80 19.249 4.902 -16.936 1.00 0.00 C ATOM 1172 CD1 LEU A 80 18.754 5.579 -15.668 1.00 0.00 C ATOM 1173 CD2 LEU A 80 18.158 4.889 -17.997 1.00 0.00 C ATOM 0 H LEU A 80 23.092 6.528 -17.834 1.00 0.00 H new ATOM 0 HA LEU A 80 21.545 5.344 -15.602 1.00 0.00 H new ATOM 0 HB2 LEU A 80 20.305 6.675 -17.503 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.672 5.274 -18.490 1.00 0.00 H new ATOM 0 HG LEU A 80 19.507 3.871 -16.695 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.863 5.067 -15.306 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.532 5.536 -14.905 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.512 6.620 -15.882 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.274 4.386 -17.604 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.902 5.913 -18.269 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.515 4.358 -18.879 1.00 0.00 H new ATOM 1185 N LYS A 81 22.352 3.076 -16.149 1.00 0.00 N ATOM 1186 CA LYS A 81 22.910 1.752 -16.399 1.00 0.00 C ATOM 1187 C LYS A 81 21.819 0.687 -16.373 1.00 0.00 C ATOM 1188 O LYS A 81 21.111 0.535 -15.378 1.00 0.00 O ATOM 1189 CB LYS A 81 23.984 1.424 -15.359 1.00 0.00 C ATOM 1190 CG LYS A 81 25.060 0.482 -15.872 1.00 0.00 C ATOM 1191 CD LYS A 81 26.407 0.774 -15.234 1.00 0.00 C ATOM 1192 CE LYS A 81 27.209 1.772 -16.056 1.00 0.00 C ATOM 1193 NZ LYS A 81 28.636 1.818 -15.635 1.00 0.00 N ATOM 0 H LYS A 81 21.921 3.185 -15.231 1.00 0.00 H new ATOM 0 HA LYS A 81 23.363 1.758 -17.390 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.452 2.351 -15.028 1.00 0.00 H new ATOM 0 HB3 LYS A 81 23.508 0.978 -14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 81 24.773 -0.548 -15.662 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.141 0.576 -16.955 1.00 0.00 H new ATOM 0 HD2 LYS A 81 26.257 1.167 -14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.972 -0.153 -15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.150 1.504 -17.111 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.768 2.764 -15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.148 2.510 -16.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.694 2.099 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.064 0.878 -15.756 1.00 0.00 H new ATOM 1207 N ALA A 82 21.690 -0.049 -17.472 1.00 0.00 N ATOM 1208 CA ALA A 82 20.687 -1.102 -17.573 1.00 0.00 C ATOM 1209 C ALA A 82 21.131 -2.355 -16.826 1.00 0.00 C ATOM 1210 O ALA A 82 22.163 -2.945 -17.144 1.00 0.00 O ATOM 1211 CB ALA A 82 20.407 -1.426 -19.033 1.00 0.00 C ATOM 0 H ALA A 82 22.268 0.065 -18.305 1.00 0.00 H new ATOM 0 HA ALA A 82 19.768 -0.741 -17.110 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.656 -2.214 -19.093 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.038 -0.534 -19.539 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.326 -1.763 -19.514 1.00 0.00 H new ATOM 1217 N GLU A 83 20.345 -2.756 -15.832 1.00 0.00 N ATOM 1218 CA GLU A 83 20.659 -3.940 -15.040 1.00 0.00 C ATOM 1219 C GLU A 83 19.424 -4.818 -14.860 1.00 0.00 C ATOM 1220 O GLU A 83 18.292 -4.345 -14.961 1.00 0.00 O ATOM 1221 CB GLU A 83 21.213 -3.533 -13.673 1.00 0.00 C ATOM 1222 CG GLU A 83 22.152 -4.562 -13.067 1.00 0.00 C ATOM 1223 CD GLU A 83 23.107 -3.957 -12.056 1.00 0.00 C ATOM 1224 OE1 GLU A 83 23.971 -3.152 -12.463 1.00 0.00 O ATOM 1225 OE2 GLU A 83 22.989 -4.288 -10.857 1.00 0.00 O ATOM 0 H GLU A 83 19.487 -2.279 -15.556 1.00 0.00 H new ATOM 0 HA GLU A 83 21.416 -4.514 -15.575 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.741 -2.585 -13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.381 -3.365 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.565 -5.344 -12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.725 -5.038 -13.862 1.00 0.00 H new ATOM 1232 N VAL A 84 19.651 -6.100 -14.593 1.00 0.00 N ATOM 1233 CA VAL A 84 18.558 -7.045 -14.398 1.00 0.00 C ATOM 1234 C VAL A 84 18.378 -7.381 -12.922 1.00 0.00 C ATOM 1235 O VAL A 84 19.338 -7.374 -12.152 1.00 0.00 O ATOM 1236 CB VAL A 84 18.795 -8.348 -15.185 1.00 0.00 C ATOM 1237 CG1 VAL A 84 18.836 -8.070 -16.680 1.00 0.00 C ATOM 1238 CG2 VAL A 84 20.079 -9.022 -14.724 1.00 0.00 C ATOM 0 H VAL A 84 20.582 -6.508 -14.507 1.00 0.00 H new ATOM 0 HA VAL A 84 17.654 -6.564 -14.771 1.00 0.00 H new ATOM 0 HB VAL A 84 17.965 -9.026 -14.989 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.004 -9.002 -17.219 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.888 -7.635 -16.995 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.645 -7.373 -16.898 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.231 -9.941 -15.290 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.922 -8.351 -14.889 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.005 -9.258 -13.662 1.00 0.00 H new ATOM 1248 N ALA A 85 17.142 -7.676 -12.534 1.00 0.00 N ATOM 1249 CA ALA A 85 16.836 -8.017 -11.150 1.00 0.00 C ATOM 1250 C ALA A 85 15.888 -9.209 -11.075 1.00 0.00 C ATOM 1251 O ALA A 85 14.862 -9.205 -11.753 1.00 0.00 O ATOM 1252 CB ALA A 85 16.237 -6.818 -10.430 1.00 0.00 C ATOM 0 H ALA A 85 16.336 -7.686 -13.159 1.00 0.00 H new ATOM 0 HA ALA A 85 17.767 -8.295 -10.656 1.00 0.00 H new ATOM 0 HB1 ALA A 85 16.014 -7.088 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.949 -5.993 -10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.319 -6.513 -10.932 1.00 0.00 H new TER 1258 ALA A 85 HETATM 1259 ZN ZN A 201 6.582 6.338 -1.893 1.00 0.00 ZN HETATM 1260 ZN ZN A 401 7.035 -6.515 -7.859 1.00 0.00 ZN