USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 441 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 LYS NZ :NH3+ 152:sc= -0.037 (180deg=-0.744) USER MOD Set 1.2: A 57 THR OG1 : rot 159:sc=-0.000327 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 MET CE :methyl -130:sc= -1.91 (180deg=-3.3!) USER MOD Set 3.1: A 10 MET CE :methyl 152:sc= -7.21! (180deg=-9.74!) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -147:sc= -0.261 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.9) USER MOD Single : A 20 ASN : amide:sc= -0.0843 K(o=-0.084,f=-1.5) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 25 THR OG1 : rot -130:sc= -0.429 USER MOD Single : A 30 THR OG1 : rot 65:sc= 1.3 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.27) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 55 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.057) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0721 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.461 -14.441 -15.093 1.00 0.00 N ATOM 2 CA GLY A 1 20.656 -13.675 -14.792 1.00 0.00 C ATOM 3 C GLY A 1 21.041 -13.753 -13.328 1.00 0.00 C ATOM 4 O GLY A 1 20.395 -14.450 -12.545 1.00 0.00 O ATOM 0 H1 GLY A 1 19.682 -15.161 -15.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.120 -14.907 -14.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.723 -13.805 -15.457 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.482 -14.041 -15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.495 -12.633 -15.067 1.00 0.00 H new ATOM 8 N SER A 2 22.097 -13.037 -12.956 1.00 0.00 N ATOM 9 CA SER A 2 22.570 -13.032 -11.576 1.00 0.00 C ATOM 10 C SER A 2 22.554 -11.619 -11.002 1.00 0.00 C ATOM 11 O SER A 2 23.487 -11.207 -10.312 1.00 0.00 O ATOM 12 CB SER A 2 23.984 -13.611 -11.498 1.00 0.00 C ATOM 13 OG SER A 2 23.953 -15.027 -11.447 1.00 0.00 O ATOM 0 H SER A 2 22.642 -12.453 -13.591 1.00 0.00 H new ATOM 0 HA SER A 2 21.898 -13.653 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.561 -13.288 -12.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.491 -13.223 -10.614 1.00 0.00 H new ATOM 0 HG SER A 2 24.869 -15.373 -11.399 1.00 0.00 H new ATOM 19 N SER A 3 21.487 -10.881 -11.290 1.00 0.00 N ATOM 20 CA SER A 3 21.350 -9.512 -10.806 1.00 0.00 C ATOM 21 C SER A 3 20.037 -9.332 -10.052 1.00 0.00 C ATOM 22 O SER A 3 19.112 -10.131 -10.193 1.00 0.00 O ATOM 23 CB SER A 3 21.421 -8.526 -11.974 1.00 0.00 C ATOM 24 OG SER A 3 22.762 -8.172 -12.262 1.00 0.00 O ATOM 0 H SER A 3 20.704 -11.208 -11.856 1.00 0.00 H new ATOM 0 HA SER A 3 22.173 -9.311 -10.120 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.961 -8.970 -12.857 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.849 -7.630 -11.733 1.00 0.00 H new ATOM 0 HG SER A 3 22.780 -7.543 -13.013 1.00 0.00 H new ATOM 30 N GLY A 4 19.963 -8.275 -9.249 1.00 0.00 N ATOM 31 CA GLY A 4 18.759 -8.007 -8.483 1.00 0.00 C ATOM 32 C GLY A 4 18.887 -6.771 -7.615 1.00 0.00 C ATOM 33 O GLY A 4 19.180 -5.683 -8.112 1.00 0.00 O ATOM 0 H GLY A 4 20.715 -7.599 -9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.918 -7.882 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.534 -8.868 -7.853 1.00 0.00 H new ATOM 37 N SER A 5 18.664 -6.937 -6.315 1.00 0.00 N ATOM 38 CA SER A 5 18.750 -5.824 -5.377 1.00 0.00 C ATOM 39 C SER A 5 19.744 -6.131 -4.260 1.00 0.00 C ATOM 40 O SER A 5 20.101 -7.286 -4.033 1.00 0.00 O ATOM 41 CB SER A 5 17.373 -5.523 -4.782 1.00 0.00 C ATOM 42 OG SER A 5 16.829 -6.669 -4.151 1.00 0.00 O ATOM 0 H SER A 5 18.423 -7.831 -5.888 1.00 0.00 H new ATOM 0 HA SER A 5 19.101 -4.948 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.455 -4.711 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.700 -5.183 -5.569 1.00 0.00 H new ATOM 0 HG SER A 5 15.950 -6.450 -3.777 1.00 0.00 H new ATOM 48 N SER A 6 20.185 -5.086 -3.567 1.00 0.00 N ATOM 49 CA SER A 6 21.140 -5.242 -2.476 1.00 0.00 C ATOM 50 C SER A 6 20.420 -5.364 -1.136 1.00 0.00 C ATOM 51 O SER A 6 20.084 -4.363 -0.505 1.00 0.00 O ATOM 52 CB SER A 6 22.106 -4.056 -2.442 1.00 0.00 C ATOM 53 OG SER A 6 23.266 -4.364 -1.687 1.00 0.00 O ATOM 0 H SER A 6 19.897 -4.123 -3.741 1.00 0.00 H new ATOM 0 HA SER A 6 21.705 -6.158 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.391 -3.786 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.607 -3.189 -2.010 1.00 0.00 H new ATOM 0 HG SER A 6 23.868 -3.591 -1.682 1.00 0.00 H new ATOM 59 N GLY A 7 20.185 -6.601 -0.708 1.00 0.00 N ATOM 60 CA GLY A 7 19.505 -6.833 0.553 1.00 0.00 C ATOM 61 C GLY A 7 18.000 -6.919 0.394 1.00 0.00 C ATOM 62 O GLY A 7 17.497 -7.156 -0.705 1.00 0.00 O ATOM 0 H GLY A 7 20.453 -7.446 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.874 -7.758 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.748 -6.028 1.247 1.00 0.00 H new ATOM 66 N HIS A 8 17.279 -6.726 1.493 1.00 0.00 N ATOM 67 CA HIS A 8 15.821 -6.784 1.471 1.00 0.00 C ATOM 68 C HIS A 8 15.227 -5.407 1.188 1.00 0.00 C ATOM 69 O HIS A 8 15.822 -4.373 1.493 1.00 0.00 O ATOM 70 CB HIS A 8 15.291 -7.317 2.802 1.00 0.00 C ATOM 71 CG HIS A 8 15.853 -8.654 3.178 1.00 0.00 C ATOM 72 ND1 HIS A 8 16.717 -8.835 4.237 1.00 0.00 N ATOM 73 CD2 HIS A 8 15.668 -9.878 2.631 1.00 0.00 C ATOM 74 CE1 HIS A 8 17.041 -10.113 4.324 1.00 0.00 C ATOM 75 NE2 HIS A 8 16.417 -10.768 3.361 1.00 0.00 N ATOM 0 H HIS A 8 17.680 -6.528 2.410 1.00 0.00 H new ATOM 0 HA HIS A 8 15.521 -7.461 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 8 15.523 -6.600 3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 8 14.205 -7.391 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.047 -10.111 1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 8 17.703 -10.548 5.058 1.00 0.00 H new ATOM 0 HE2 HIS A 8 16.481 -11.771 3.188 1.00 0.00 H new ATOM 83 N PRO A 9 14.026 -5.391 0.591 1.00 0.00 N ATOM 84 CA PRO A 9 13.326 -4.148 0.254 1.00 0.00 C ATOM 85 C PRO A 9 12.830 -3.409 1.492 1.00 0.00 C ATOM 86 O PRO A 9 12.205 -4.001 2.372 1.00 0.00 O ATOM 87 CB PRO A 9 12.144 -4.626 -0.593 1.00 0.00 C ATOM 88 CG PRO A 9 11.908 -6.030 -0.157 1.00 0.00 C ATOM 89 CD PRO A 9 13.259 -6.586 0.200 1.00 0.00 C ATOM 0 HA PRO A 9 13.976 -3.439 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.262 -4.007 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.374 -4.575 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.233 -6.065 0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.444 -6.613 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.195 -7.307 1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.718 -7.100 -0.644 1.00 0.00 H new ATOM 97 N MET A 10 13.111 -2.111 1.553 1.00 0.00 N ATOM 98 CA MET A 10 12.691 -1.291 2.683 1.00 0.00 C ATOM 99 C MET A 10 11.805 -0.139 2.219 1.00 0.00 C ATOM 100 O MET A 10 11.639 0.086 1.020 1.00 0.00 O ATOM 101 CB MET A 10 13.912 -0.743 3.425 1.00 0.00 C ATOM 102 CG MET A 10 14.882 -1.823 3.878 1.00 0.00 C ATOM 103 SD MET A 10 15.962 -1.270 5.212 1.00 0.00 S ATOM 104 CE MET A 10 14.814 -1.235 6.585 1.00 0.00 C ATOM 0 H MET A 10 13.627 -1.605 0.833 1.00 0.00 H new ATOM 0 HA MET A 10 12.114 -1.920 3.361 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.438 -0.043 2.776 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.576 -0.180 4.295 1.00 0.00 H new ATOM 0 HG2 MET A 10 14.319 -2.696 4.209 1.00 0.00 H new ATOM 0 HG3 MET A 10 15.490 -2.139 3.030 1.00 0.00 H new ATOM 0 HE1 MET A 10 15.355 -1.407 7.516 1.00 0.00 H new ATOM 0 HE2 MET A 10 14.323 -0.262 6.624 1.00 0.00 H new ATOM 0 HE3 MET A 10 14.064 -2.015 6.452 1.00 0.00 H new ATOM 114 N CYS A 11 11.237 0.587 3.176 1.00 0.00 N ATOM 115 CA CYS A 11 10.367 1.716 2.866 1.00 0.00 C ATOM 116 C CYS A 11 11.170 2.880 2.293 1.00 0.00 C ATOM 117 O CYS A 11 12.199 3.271 2.845 1.00 0.00 O ATOM 118 CB CYS A 11 9.617 2.167 4.120 1.00 0.00 C ATOM 119 SG CYS A 11 8.498 3.579 3.849 1.00 0.00 S ATOM 0 H CYS A 11 11.363 0.414 4.173 1.00 0.00 H new ATOM 0 HA CYS A 11 9.645 1.392 2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.039 1.328 4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.343 2.434 4.888 1.00 0.00 H new ATOM 124 N LYS A 12 10.692 3.432 1.183 1.00 0.00 N ATOM 125 CA LYS A 12 11.363 4.553 0.535 1.00 0.00 C ATOM 126 C LYS A 12 11.708 5.640 1.548 1.00 0.00 C ATOM 127 O LYS A 12 12.787 6.227 1.496 1.00 0.00 O ATOM 128 CB LYS A 12 10.477 5.133 -0.570 1.00 0.00 C ATOM 129 CG LYS A 12 9.112 5.584 -0.082 1.00 0.00 C ATOM 130 CD LYS A 12 8.080 5.544 -1.197 1.00 0.00 C ATOM 131 CE LYS A 12 8.053 6.848 -1.979 1.00 0.00 C ATOM 132 NZ LYS A 12 6.708 7.123 -2.555 1.00 0.00 N ATOM 0 H LYS A 12 9.842 3.121 0.713 1.00 0.00 H new ATOM 0 HA LYS A 12 12.290 4.185 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.988 5.980 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.345 4.383 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.788 4.943 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.182 6.597 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.304 4.718 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.094 5.351 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.342 7.670 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.790 6.805 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.732 8.020 -3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.442 6.352 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.009 7.189 -1.788 1.00 0.00 H new ATOM 146 N GLU A 13 10.784 5.900 2.468 1.00 0.00 N ATOM 147 CA GLU A 13 10.992 6.916 3.492 1.00 0.00 C ATOM 148 C GLU A 13 11.757 6.341 4.681 1.00 0.00 C ATOM 149 O GLU A 13 12.749 6.915 5.131 1.00 0.00 O ATOM 150 CB GLU A 13 9.650 7.482 3.961 1.00 0.00 C ATOM 151 CG GLU A 13 9.011 8.437 2.967 1.00 0.00 C ATOM 152 CD GLU A 13 9.777 9.738 2.833 1.00 0.00 C ATOM 153 OE1 GLU A 13 9.619 10.612 3.711 1.00 0.00 O ATOM 154 OE2 GLU A 13 10.534 9.884 1.850 1.00 0.00 O ATOM 0 H GLU A 13 9.885 5.421 2.525 1.00 0.00 H new ATOM 0 HA GLU A 13 11.584 7.720 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.964 6.657 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.795 8.001 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.950 7.954 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.989 8.652 3.281 1.00 0.00 H new ATOM 161 N HIS A 14 11.288 5.204 5.185 1.00 0.00 N ATOM 162 CA HIS A 14 11.928 4.551 6.322 1.00 0.00 C ATOM 163 C HIS A 14 12.835 3.416 5.856 1.00 0.00 C ATOM 164 O HIS A 14 12.383 2.289 5.658 1.00 0.00 O ATOM 165 CB HIS A 14 10.872 4.011 7.287 1.00 0.00 C ATOM 166 CG HIS A 14 9.986 5.074 7.860 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.138 5.843 7.091 1.00 0.00 N ATOM 168 CD2 HIS A 14 9.818 5.493 9.136 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.488 6.690 7.869 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.882 6.498 9.115 1.00 0.00 N ATOM 0 H HIS A 14 10.468 4.716 4.825 1.00 0.00 H new ATOM 0 HA HIS A 14 12.538 5.292 6.839 1.00 0.00 H new ATOM 0 HB2 HIS A 14 10.256 3.278 6.766 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.371 3.487 8.102 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.326 5.109 10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.758 7.416 7.542 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.546 7.012 9.929 1.00 0.00 H new ATOM 178 N GLU A 15 14.117 3.723 5.682 1.00 0.00 N ATOM 179 CA GLU A 15 15.086 2.728 5.238 1.00 0.00 C ATOM 180 C GLU A 15 15.693 1.990 6.428 1.00 0.00 C ATOM 181 O GLU A 15 16.682 1.271 6.288 1.00 0.00 O ATOM 182 CB GLU A 15 16.194 3.393 4.418 1.00 0.00 C ATOM 183 CG GLU A 15 16.952 4.468 5.179 1.00 0.00 C ATOM 184 CD GLU A 15 18.238 4.876 4.485 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.157 5.512 3.414 1.00 0.00 O ATOM 186 OE2 GLU A 15 19.324 4.560 5.014 1.00 0.00 O ATOM 0 H GLU A 15 14.508 4.651 5.842 1.00 0.00 H new ATOM 0 HA GLU A 15 14.564 2.005 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.898 2.629 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.757 3.834 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.313 5.343 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.183 4.105 6.180 1.00 0.00 H new ATOM 193 N ASP A 16 15.093 2.175 7.599 1.00 0.00 N ATOM 194 CA ASP A 16 15.573 1.527 8.814 1.00 0.00 C ATOM 195 C ASP A 16 14.626 0.412 9.246 1.00 0.00 C ATOM 196 O ASP A 16 15.040 -0.734 9.421 1.00 0.00 O ATOM 197 CB ASP A 16 15.721 2.552 9.940 1.00 0.00 C ATOM 198 CG ASP A 16 17.035 3.304 9.869 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.246 4.040 8.882 1.00 0.00 O ATOM 200 OD2 ASP A 16 17.852 3.158 10.802 1.00 0.00 O ATOM 0 H ASP A 16 14.274 2.768 7.732 1.00 0.00 H new ATOM 0 HA ASP A 16 16.548 1.089 8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.896 3.263 9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.648 2.044 10.902 1.00 0.00 H new ATOM 205 N GLU A 17 13.353 0.756 9.416 1.00 0.00 N ATOM 206 CA GLU A 17 12.348 -0.217 9.830 1.00 0.00 C ATOM 207 C GLU A 17 11.827 -1.003 8.631 1.00 0.00 C ATOM 208 O GLU A 17 11.599 -0.443 7.558 1.00 0.00 O ATOM 209 CB GLU A 17 11.187 0.486 10.537 1.00 0.00 C ATOM 210 CG GLU A 17 11.519 0.937 11.949 1.00 0.00 C ATOM 211 CD GLU A 17 10.282 1.133 12.804 1.00 0.00 C ATOM 212 OE1 GLU A 17 9.713 0.120 13.265 1.00 0.00 O ATOM 213 OE2 GLU A 17 9.882 2.297 13.013 1.00 0.00 O ATOM 0 H GLU A 17 12.993 1.700 9.274 1.00 0.00 H new ATOM 0 HA GLU A 17 12.817 -0.914 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.886 1.353 9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.332 -0.189 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.168 0.198 12.419 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.078 1.872 11.906 1.00 0.00 H new ATOM 220 N LYS A 18 11.641 -2.305 8.820 1.00 0.00 N ATOM 221 CA LYS A 18 11.146 -3.170 7.756 1.00 0.00 C ATOM 222 C LYS A 18 9.715 -2.803 7.377 1.00 0.00 C ATOM 223 O LYS A 18 9.035 -2.082 8.109 1.00 0.00 O ATOM 224 CB LYS A 18 11.209 -4.636 8.192 1.00 0.00 C ATOM 225 CG LYS A 18 12.544 -5.300 7.903 1.00 0.00 C ATOM 226 CD LYS A 18 13.593 -4.914 8.933 1.00 0.00 C ATOM 227 CE LYS A 18 14.368 -3.677 8.503 1.00 0.00 C ATOM 228 NZ LYS A 18 15.574 -4.029 7.704 1.00 0.00 N ATOM 0 H LYS A 18 11.826 -2.785 9.701 1.00 0.00 H new ATOM 0 HA LYS A 18 11.782 -3.029 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.006 -4.697 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.419 -5.191 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.419 -6.383 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.886 -5.013 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.111 -4.727 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.283 -5.745 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.719 -3.028 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.669 -3.112 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.329 -3.339 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.901 -4.980 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.336 -4.014 6.692 1.00 0.00 H new ATOM 242 N ILE A 19 9.263 -3.303 6.232 1.00 0.00 N ATOM 243 CA ILE A 19 7.912 -3.029 5.759 1.00 0.00 C ATOM 244 C ILE A 19 6.873 -3.724 6.632 1.00 0.00 C ATOM 245 O ILE A 19 6.757 -4.948 6.622 1.00 0.00 O ATOM 246 CB ILE A 19 7.725 -3.481 4.299 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.855 -2.935 3.424 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.372 -3.025 3.772 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.882 -1.425 3.344 1.00 0.00 C ATOM 0 H ILE A 19 9.813 -3.900 5.615 1.00 0.00 H new ATOM 0 HA ILE A 19 7.769 -1.950 5.818 1.00 0.00 H new ATOM 0 HB ILE A 19 7.758 -4.570 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.809 -3.287 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.754 -3.342 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.255 -3.352 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.579 -3.458 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.312 -1.938 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.708 -1.109 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.942 -1.066 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.015 -1.010 4.343 1.00 0.00 H new ATOM 261 N ASN A 20 6.116 -2.932 7.385 1.00 0.00 N ATOM 262 CA ASN A 20 5.084 -3.471 8.263 1.00 0.00 C ATOM 263 C ASN A 20 3.844 -3.865 7.467 1.00 0.00 C ATOM 264 O ASN A 20 3.339 -4.981 7.597 1.00 0.00 O ATOM 265 CB ASN A 20 4.711 -2.445 9.335 1.00 0.00 C ATOM 266 CG ASN A 20 3.943 -3.065 10.487 1.00 0.00 C ATOM 267 OD1 ASN A 20 3.651 -4.260 10.480 1.00 0.00 O ATOM 268 ND2 ASN A 20 3.613 -2.251 11.483 1.00 0.00 N ATOM 0 H ASN A 20 6.198 -1.915 7.405 1.00 0.00 H new ATOM 0 HA ASN A 20 5.482 -4.363 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.618 -1.977 9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.110 -1.655 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.096 -2.610 12.285 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.877 -1.266 11.446 1.00 0.00 H new ATOM 275 N ILE A 21 3.358 -2.943 6.643 1.00 0.00 N ATOM 276 CA ILE A 21 2.179 -3.195 5.825 1.00 0.00 C ATOM 277 C ILE A 21 2.409 -2.764 4.380 1.00 0.00 C ATOM 278 O ILE A 21 3.450 -2.196 4.050 1.00 0.00 O ATOM 279 CB ILE A 21 0.943 -2.460 6.377 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.246 -0.971 6.558 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.503 -3.080 7.695 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.042 -0.155 6.974 1.00 0.00 C ATOM 0 H ILE A 21 3.763 -2.014 6.524 1.00 0.00 H new ATOM 0 HA ILE A 21 1.997 -4.269 5.857 1.00 0.00 H new ATOM 0 HB ILE A 21 0.128 -2.561 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.029 -0.856 7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.639 -0.572 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.371 -2.550 8.073 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.251 -4.129 7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.313 -3.006 8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.331 0.890 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.735 -0.239 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.339 -0.527 7.925 1.00 0.00 H new ATOM 294 N TYR A 22 1.431 -3.036 3.524 1.00 0.00 N ATOM 295 CA TYR A 22 1.527 -2.677 2.114 1.00 0.00 C ATOM 296 C TYR A 22 0.377 -1.761 1.706 1.00 0.00 C ATOM 297 O TYR A 22 -0.781 -2.013 2.039 1.00 0.00 O ATOM 298 CB TYR A 22 1.525 -3.936 1.245 1.00 0.00 C ATOM 299 CG TYR A 22 1.156 -3.674 -0.198 1.00 0.00 C ATOM 300 CD1 TYR A 22 -0.172 -3.672 -0.607 1.00 0.00 C ATOM 301 CD2 TYR A 22 2.136 -3.430 -1.153 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.513 -3.434 -1.924 1.00 0.00 C ATOM 303 CE2 TYR A 22 1.803 -3.190 -2.472 1.00 0.00 C ATOM 304 CZ TYR A 22 0.478 -3.193 -2.853 1.00 0.00 C ATOM 305 OH TYR A 22 0.143 -2.956 -4.166 1.00 0.00 O ATOM 0 H TYR A 22 0.562 -3.504 3.782 1.00 0.00 H new ATOM 0 HA TYR A 22 2.464 -2.142 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.513 -4.394 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.824 -4.657 1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.951 -3.860 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.175 -3.428 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.550 -3.437 -2.225 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.577 -3.001 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 22 0.958 -2.804 -4.689 1.00 0.00 H new ATOM 315 N CYS A 23 0.706 -0.697 0.982 1.00 0.00 N ATOM 316 CA CYS A 23 -0.297 0.258 0.526 1.00 0.00 C ATOM 317 C CYS A 23 -0.961 -0.223 -0.761 1.00 0.00 C ATOM 318 O CYS A 23 -0.306 -0.792 -1.636 1.00 0.00 O ATOM 319 CB CYS A 23 0.341 1.630 0.301 1.00 0.00 C ATOM 320 SG CYS A 23 -0.857 2.999 0.197 1.00 0.00 S ATOM 0 H CYS A 23 1.660 -0.474 0.698 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.061 0.342 1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.038 1.832 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.924 1.601 -0.619 1.00 0.00 H new ATOM 325 N LEU A 24 -2.264 0.010 -0.870 1.00 0.00 N ATOM 326 CA LEU A 24 -3.018 -0.399 -2.050 1.00 0.00 C ATOM 327 C LEU A 24 -3.198 0.770 -3.013 1.00 0.00 C ATOM 328 O LEU A 24 -2.788 0.703 -4.173 1.00 0.00 O ATOM 329 CB LEU A 24 -4.384 -0.952 -1.640 1.00 0.00 C ATOM 330 CG LEU A 24 -4.379 -2.329 -0.975 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.108 -2.525 -0.164 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.608 -2.500 -0.094 1.00 0.00 C ATOM 0 H LEU A 24 -2.821 0.480 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.454 -1.181 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.851 -0.242 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.015 -1.002 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.408 -3.089 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.122 -3.510 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.242 -2.446 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.048 -1.759 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.588 -3.486 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.610 -1.733 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.508 -2.404 -0.702 1.00 0.00 H new ATOM 344 N THR A 25 -3.812 1.843 -2.525 1.00 0.00 N ATOM 345 CA THR A 25 -4.046 3.028 -3.341 1.00 0.00 C ATOM 346 C THR A 25 -2.891 3.265 -4.308 1.00 0.00 C ATOM 347 O THR A 25 -3.051 3.144 -5.523 1.00 0.00 O ATOM 348 CB THR A 25 -4.236 4.283 -2.469 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.391 4.130 -1.636 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.389 5.525 -3.334 1.00 0.00 C ATOM 0 H THR A 25 -4.157 1.916 -1.568 1.00 0.00 H new ATOM 0 HA THR A 25 -4.960 2.847 -3.907 1.00 0.00 H new ATOM 0 HB THR A 25 -3.351 4.402 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.960 4.924 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.522 6.399 -2.696 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.496 5.655 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.259 5.413 -3.981 1.00 0.00 H new ATOM 358 N CYS A 26 -1.728 3.603 -3.762 1.00 0.00 N ATOM 359 CA CYS A 26 -0.546 3.857 -4.576 1.00 0.00 C ATOM 360 C CYS A 26 0.166 2.552 -4.925 1.00 0.00 C ATOM 361 O CYS A 26 1.196 2.557 -5.598 1.00 0.00 O ATOM 362 CB CYS A 26 0.415 4.793 -3.840 1.00 0.00 C ATOM 363 SG CYS A 26 0.877 4.222 -2.173 1.00 0.00 S ATOM 0 H CYS A 26 -1.579 3.707 -2.758 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.869 4.333 -5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.320 4.910 -4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.044 5.779 -3.761 1.00 0.00 H new ATOM 368 N GLU A 27 -0.393 1.438 -4.461 1.00 0.00 N ATOM 369 CA GLU A 27 0.189 0.127 -4.724 1.00 0.00 C ATOM 370 C GLU A 27 1.689 0.132 -4.445 1.00 0.00 C ATOM 371 O GLU A 27 2.493 -0.221 -5.308 1.00 0.00 O ATOM 372 CB GLU A 27 -0.071 -0.290 -6.173 1.00 0.00 C ATOM 373 CG GLU A 27 0.508 0.673 -7.196 1.00 0.00 C ATOM 374 CD GLU A 27 0.438 0.132 -8.611 1.00 0.00 C ATOM 375 OE1 GLU A 27 0.991 -0.960 -8.857 1.00 0.00 O ATOM 376 OE2 GLU A 27 -0.169 0.802 -9.472 1.00 0.00 O ATOM 0 H GLU A 27 -1.246 1.417 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.284 -0.593 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.352 -1.281 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.146 -0.372 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.032 1.619 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.547 0.885 -6.943 1.00 0.00 H new ATOM 383 N VAL A 28 2.059 0.534 -3.234 1.00 0.00 N ATOM 384 CA VAL A 28 3.462 0.585 -2.840 1.00 0.00 C ATOM 385 C VAL A 28 3.659 0.025 -1.436 1.00 0.00 C ATOM 386 O VAL A 28 3.032 0.465 -0.472 1.00 0.00 O ATOM 387 CB VAL A 28 4.007 2.025 -2.888 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.597 2.708 -4.184 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.525 2.817 -1.682 1.00 0.00 C ATOM 0 H VAL A 28 1.406 0.829 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 28 4.013 -0.028 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 28 5.096 1.985 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.991 3.724 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.996 2.151 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.509 2.739 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.919 3.832 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.436 2.851 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.874 2.337 -0.768 1.00 0.00 H new ATOM 399 N PRO A 29 4.552 -0.968 -1.314 1.00 0.00 N ATOM 400 CA PRO A 29 4.854 -1.609 -0.031 1.00 0.00 C ATOM 401 C PRO A 29 5.609 -0.682 0.916 1.00 0.00 C ATOM 402 O PRO A 29 6.837 -0.728 0.999 1.00 0.00 O ATOM 403 CB PRO A 29 5.731 -2.799 -0.427 1.00 0.00 C ATOM 404 CG PRO A 29 6.354 -2.398 -1.719 1.00 0.00 C ATOM 405 CD PRO A 29 5.337 -1.541 -2.421 1.00 0.00 C ATOM 0 HA PRO A 29 3.949 -1.890 0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.488 -3.003 0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.139 -3.707 -0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.280 -1.847 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.608 -3.273 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.811 -0.765 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.713 -2.128 -3.095 1.00 0.00 H new ATOM 413 N THR A 30 4.868 0.158 1.631 1.00 0.00 N ATOM 414 CA THR A 30 5.467 1.096 2.572 1.00 0.00 C ATOM 415 C THR A 30 5.112 0.735 4.010 1.00 0.00 C ATOM 416 O THR A 30 4.076 0.121 4.269 1.00 0.00 O ATOM 417 CB THR A 30 5.014 2.541 2.291 1.00 0.00 C ATOM 418 OG1 THR A 30 5.661 3.442 3.196 1.00 0.00 O ATOM 419 CG2 THR A 30 3.505 2.671 2.429 1.00 0.00 C ATOM 0 H THR A 30 3.851 0.208 1.576 1.00 0.00 H new ATOM 0 HA THR A 30 6.547 1.029 2.439 1.00 0.00 H new ATOM 0 HB THR A 30 5.292 2.793 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.627 3.433 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.208 3.700 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.016 2.005 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.208 2.401 3.442 1.00 0.00 H new ATOM 427 N CYS A 31 5.977 1.119 4.942 1.00 0.00 N ATOM 428 CA CYS A 31 5.755 0.836 6.355 1.00 0.00 C ATOM 429 C CYS A 31 4.375 1.317 6.796 1.00 0.00 C ATOM 430 O CYS A 31 3.577 1.778 5.980 1.00 0.00 O ATOM 431 CB CYS A 31 6.836 1.504 7.207 1.00 0.00 C ATOM 432 SG CYS A 31 6.634 3.306 7.385 1.00 0.00 S ATOM 0 H CYS A 31 6.839 1.627 4.744 1.00 0.00 H new ATOM 0 HA CYS A 31 5.807 -0.244 6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.835 1.049 8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.811 1.300 6.763 1.00 0.00 H new ATOM 437 N SER A 32 4.102 1.207 8.092 1.00 0.00 N ATOM 438 CA SER A 32 2.818 1.627 8.641 1.00 0.00 C ATOM 439 C SER A 32 2.905 3.043 9.202 1.00 0.00 C ATOM 440 O SER A 32 1.913 3.771 9.235 1.00 0.00 O ATOM 441 CB SER A 32 2.367 0.659 9.737 1.00 0.00 C ATOM 442 OG SER A 32 1.360 1.240 10.548 1.00 0.00 O ATOM 0 H SER A 32 4.753 0.831 8.781 1.00 0.00 H new ATOM 0 HA SER A 32 2.085 1.618 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.990 -0.258 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.221 0.381 10.355 1.00 0.00 H new ATOM 0 HG SER A 32 1.088 0.601 11.240 1.00 0.00 H new ATOM 448 N MET A 33 4.098 3.427 9.642 1.00 0.00 N ATOM 449 CA MET A 33 4.316 4.756 10.200 1.00 0.00 C ATOM 450 C MET A 33 3.914 5.837 9.202 1.00 0.00 C ATOM 451 O MET A 33 3.377 6.878 9.582 1.00 0.00 O ATOM 452 CB MET A 33 5.782 4.933 10.598 1.00 0.00 C ATOM 453 CG MET A 33 6.108 4.387 11.979 1.00 0.00 C ATOM 454 SD MET A 33 6.089 2.585 12.035 1.00 0.00 S ATOM 455 CE MET A 33 4.373 2.277 12.444 1.00 0.00 C ATOM 0 H MET A 33 4.929 2.836 9.623 1.00 0.00 H new ATOM 0 HA MET A 33 3.692 4.856 11.088 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.412 4.435 9.861 1.00 0.00 H new ATOM 0 HB3 MET A 33 6.033 5.993 10.567 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.091 4.746 12.285 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.388 4.777 12.699 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.318 1.586 13.285 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.889 3.216 12.713 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.866 1.841 11.583 1.00 0.00 H new ATOM 465 N CYS A 34 4.177 5.584 7.925 1.00 0.00 N ATOM 466 CA CYS A 34 3.843 6.536 6.872 1.00 0.00 C ATOM 467 C CYS A 34 2.334 6.599 6.653 1.00 0.00 C ATOM 468 O CYS A 34 1.811 7.585 6.134 1.00 0.00 O ATOM 469 CB CYS A 34 4.543 6.150 5.567 1.00 0.00 C ATOM 470 SG CYS A 34 6.334 6.480 5.558 1.00 0.00 S ATOM 0 H CYS A 34 4.621 4.727 7.594 1.00 0.00 H new ATOM 0 HA CYS A 34 4.188 7.522 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.379 5.089 5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.080 6.694 4.744 1.00 0.00 H new ATOM 475 N LYS A 35 1.639 5.540 7.055 1.00 0.00 N ATOM 476 CA LYS A 35 0.191 5.474 6.906 1.00 0.00 C ATOM 477 C LYS A 35 -0.509 6.114 8.100 1.00 0.00 C ATOM 478 O LYS A 35 -1.320 7.027 7.940 1.00 0.00 O ATOM 479 CB LYS A 35 -0.261 4.019 6.756 1.00 0.00 C ATOM 480 CG LYS A 35 -1.701 3.783 7.179 1.00 0.00 C ATOM 481 CD LYS A 35 -2.680 4.379 6.181 1.00 0.00 C ATOM 482 CE LYS A 35 -4.096 3.878 6.422 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.850 4.769 7.347 1.00 0.00 N ATOM 0 H LYS A 35 2.056 4.715 7.487 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.082 6.028 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.142 3.716 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.393 3.381 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.883 2.712 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.869 4.223 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.660 5.466 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.370 4.123 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.624 3.811 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.059 2.871 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.866 4.708 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.682 4.471 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.528 5.750 7.223 1.00 0.00 H new ATOM 497 N VAL A 36 -0.190 5.632 9.296 1.00 0.00 N ATOM 498 CA VAL A 36 -0.786 6.160 10.518 1.00 0.00 C ATOM 499 C VAL A 36 -0.463 7.640 10.692 1.00 0.00 C ATOM 500 O VAL A 36 -1.247 8.393 11.270 1.00 0.00 O ATOM 501 CB VAL A 36 -0.297 5.390 11.759 1.00 0.00 C ATOM 502 CG1 VAL A 36 -0.757 3.941 11.704 1.00 0.00 C ATOM 503 CG2 VAL A 36 1.218 5.472 11.875 1.00 0.00 C ATOM 0 H VAL A 36 0.478 4.876 9.446 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.865 6.035 10.424 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.732 5.852 12.645 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.402 3.413 12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.846 3.906 11.673 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.353 3.465 10.811 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.546 4.922 12.757 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.675 5.037 10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.520 6.515 11.965 1.00 0.00 H new ATOM 513 N PHE A 37 0.696 8.050 10.188 1.00 0.00 N ATOM 514 CA PHE A 37 1.123 9.441 10.287 1.00 0.00 C ATOM 515 C PHE A 37 1.471 10.003 8.912 1.00 0.00 C ATOM 516 O PHE A 37 0.886 10.990 8.467 1.00 0.00 O ATOM 517 CB PHE A 37 2.330 9.560 11.220 1.00 0.00 C ATOM 518 CG PHE A 37 2.193 8.760 12.483 1.00 0.00 C ATOM 519 CD1 PHE A 37 1.060 8.876 13.273 1.00 0.00 C ATOM 520 CD2 PHE A 37 3.196 7.891 12.882 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.932 8.141 14.437 1.00 0.00 C ATOM 522 CE2 PHE A 37 3.073 7.154 14.044 1.00 0.00 C ATOM 523 CZ PHE A 37 1.939 7.278 14.822 1.00 0.00 C ATOM 0 H PHE A 37 1.356 7.439 9.707 1.00 0.00 H new ATOM 0 HA PHE A 37 0.296 10.021 10.697 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.224 9.234 10.688 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.478 10.609 11.478 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.268 9.548 12.976 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.085 7.789 12.277 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.045 8.242 15.045 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.863 6.481 14.344 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.840 6.701 15.730 1.00 0.00 H new ATOM 533 N GLY A 38 2.429 9.367 8.244 1.00 0.00 N ATOM 534 CA GLY A 38 2.839 9.817 6.927 1.00 0.00 C ATOM 535 C GLY A 38 1.668 10.271 6.078 1.00 0.00 C ATOM 536 O GLY A 38 0.515 9.974 6.391 1.00 0.00 O ATOM 0 H GLY A 38 2.928 8.548 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.548 10.638 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.362 9.008 6.417 1.00 0.00 H new ATOM 540 N ILE A 39 1.964 10.993 5.003 1.00 0.00 N ATOM 541 CA ILE A 39 0.926 11.488 4.107 1.00 0.00 C ATOM 542 C ILE A 39 0.063 10.346 3.581 1.00 0.00 C ATOM 543 O ILE A 39 -0.999 10.573 2.999 1.00 0.00 O ATOM 544 CB ILE A 39 1.529 12.253 2.914 1.00 0.00 C ATOM 545 CG1 ILE A 39 2.142 11.274 1.911 1.00 0.00 C ATOM 546 CG2 ILE A 39 2.573 13.248 3.397 1.00 0.00 C ATOM 547 CD1 ILE A 39 3.417 10.624 2.402 1.00 0.00 C ATOM 0 H ILE A 39 2.913 11.248 4.731 1.00 0.00 H new ATOM 0 HA ILE A 39 0.306 12.170 4.689 1.00 0.00 H new ATOM 0 HB ILE A 39 0.733 12.805 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.413 10.497 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.348 11.802 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.990 13.781 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.108 13.961 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.370 12.716 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.795 9.943 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.163 11.393 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.213 10.067 3.317 1.00 0.00 H new ATOM 559 N HIS A 40 0.525 9.118 3.790 1.00 0.00 N ATOM 560 CA HIS A 40 -0.206 7.939 3.338 1.00 0.00 C ATOM 561 C HIS A 40 -1.412 7.672 4.233 1.00 0.00 C ATOM 562 O HIS A 40 -1.663 6.534 4.632 1.00 0.00 O ATOM 563 CB HIS A 40 0.714 6.717 3.324 1.00 0.00 C ATOM 564 CG HIS A 40 1.722 6.740 2.217 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.511 6.140 0.993 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.954 7.297 2.153 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.570 6.325 0.226 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.460 7.024 0.905 1.00 0.00 N ATOM 0 H HIS A 40 1.402 8.913 4.269 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.562 8.128 2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.236 6.654 4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.107 5.816 3.233 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.447 7.853 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.688 5.965 -0.785 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.375 7.314 0.560 1.00 0.00 H new ATOM 576 N LYS A 41 -2.156 8.727 4.546 1.00 0.00 N ATOM 577 CA LYS A 41 -3.336 8.608 5.393 1.00 0.00 C ATOM 578 C LYS A 41 -4.586 8.361 4.554 1.00 0.00 C ATOM 579 O LYS A 41 -5.430 7.539 4.907 1.00 0.00 O ATOM 580 CB LYS A 41 -3.516 9.874 6.234 1.00 0.00 C ATOM 581 CG LYS A 41 -3.727 11.130 5.406 1.00 0.00 C ATOM 582 CD LYS A 41 -3.172 12.359 6.106 1.00 0.00 C ATOM 583 CE LYS A 41 -3.950 12.678 7.373 1.00 0.00 C ATOM 584 NZ LYS A 41 -3.959 14.138 7.666 1.00 0.00 N ATOM 0 H LYS A 41 -1.962 9.676 4.225 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.191 7.756 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.369 9.740 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.638 10.009 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.243 11.013 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.792 11.268 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.123 12.195 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.211 13.213 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.975 12.322 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.510 12.142 8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.499 14.314 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.982 14.473 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.402 14.648 6.875 1.00 0.00 H new ATOM 598 N ALA A 42 -4.696 9.079 3.441 1.00 0.00 N ATOM 599 CA ALA A 42 -5.841 8.935 2.550 1.00 0.00 C ATOM 600 C ALA A 42 -5.836 7.572 1.865 1.00 0.00 C ATOM 601 O ALA A 42 -6.883 7.064 1.463 1.00 0.00 O ATOM 602 CB ALA A 42 -5.846 10.048 1.513 1.00 0.00 C ATOM 0 H ALA A 42 -4.007 9.766 3.135 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.748 9.008 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.706 9.928 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.906 11.013 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.930 10.001 0.925 1.00 0.00 H new ATOM 608 N CYS A 43 -4.651 6.984 1.736 1.00 0.00 N ATOM 609 CA CYS A 43 -4.509 5.681 1.099 1.00 0.00 C ATOM 610 C CYS A 43 -5.212 4.598 1.913 1.00 0.00 C ATOM 611 O CYS A 43 -5.831 4.883 2.938 1.00 0.00 O ATOM 612 CB CYS A 43 -3.029 5.329 0.934 1.00 0.00 C ATOM 613 SG CYS A 43 -2.205 6.206 -0.434 1.00 0.00 S ATOM 0 H CYS A 43 -3.775 7.390 2.065 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.976 5.733 0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.507 5.555 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.938 4.255 0.770 1.00 0.00 H new ATOM 618 N GLU A 44 -5.111 3.357 1.448 1.00 0.00 N ATOM 619 CA GLU A 44 -5.738 2.232 2.133 1.00 0.00 C ATOM 620 C GLU A 44 -4.776 1.052 2.235 1.00 0.00 C ATOM 621 O GLU A 44 -4.573 0.317 1.268 1.00 0.00 O ATOM 622 CB GLU A 44 -7.011 1.805 1.399 1.00 0.00 C ATOM 623 CG GLU A 44 -6.789 1.487 -0.070 1.00 0.00 C ATOM 624 CD GLU A 44 -8.028 1.723 -0.912 1.00 0.00 C ATOM 625 OE1 GLU A 44 -8.781 2.670 -0.607 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.243 0.959 -1.876 1.00 0.00 O ATOM 0 H GLU A 44 -4.602 3.105 0.601 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.999 2.553 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.428 0.927 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.752 2.600 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.973 2.101 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.479 0.447 -0.170 1.00 0.00 H new ATOM 633 N VAL A 45 -4.186 0.877 3.413 1.00 0.00 N ATOM 634 CA VAL A 45 -3.245 -0.213 3.642 1.00 0.00 C ATOM 635 C VAL A 45 -3.970 -1.480 4.083 1.00 0.00 C ATOM 636 O VAL A 45 -5.065 -1.419 4.640 1.00 0.00 O ATOM 637 CB VAL A 45 -2.198 0.163 4.707 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.467 1.437 4.310 1.00 0.00 C ATOM 639 CG2 VAL A 45 -2.857 0.320 6.069 1.00 0.00 C ATOM 0 H VAL A 45 -4.343 1.476 4.224 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.738 -0.398 2.695 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.466 -0.642 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.731 1.687 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.962 1.285 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.183 2.253 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.103 0.586 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.610 1.106 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.331 -0.619 6.354 1.00 0.00 H new ATOM 649 N ALA A 46 -3.350 -2.628 3.830 1.00 0.00 N ATOM 650 CA ALA A 46 -3.934 -3.910 4.203 1.00 0.00 C ATOM 651 C ALA A 46 -2.909 -4.800 4.897 1.00 0.00 C ATOM 652 O ALA A 46 -1.713 -4.507 4.922 1.00 0.00 O ATOM 653 CB ALA A 46 -4.498 -4.610 2.975 1.00 0.00 C ATOM 0 H ALA A 46 -2.443 -2.696 3.368 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.746 -3.720 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.931 -5.566 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.269 -3.986 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.699 -4.780 2.254 1.00 0.00 H new ATOM 659 N PRO A 47 -3.384 -5.913 5.475 1.00 0.00 N ATOM 660 CA PRO A 47 -2.524 -6.868 6.180 1.00 0.00 C ATOM 661 C PRO A 47 -1.609 -7.634 5.232 1.00 0.00 C ATOM 662 O PRO A 47 -2.003 -8.650 4.657 1.00 0.00 O ATOM 663 CB PRO A 47 -3.522 -7.819 6.845 1.00 0.00 C ATOM 664 CG PRO A 47 -4.746 -7.737 5.999 1.00 0.00 C ATOM 665 CD PRO A 47 -4.798 -6.325 5.483 1.00 0.00 C ATOM 0 HA PRO A 47 -1.854 -6.372 6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.134 -8.837 6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.730 -7.519 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.701 -8.452 5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.638 -7.974 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.236 -6.277 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.400 -5.684 6.127 1.00 0.00 H new ATOM 673 N LEU A 48 -0.385 -7.142 5.072 1.00 0.00 N ATOM 674 CA LEU A 48 0.588 -7.781 4.193 1.00 0.00 C ATOM 675 C LEU A 48 0.385 -9.292 4.163 1.00 0.00 C ATOM 676 O LEU A 48 0.549 -9.929 3.123 1.00 0.00 O ATOM 677 CB LEU A 48 2.011 -7.455 4.652 1.00 0.00 C ATOM 678 CG LEU A 48 3.073 -7.395 3.553 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.634 -6.460 2.437 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.410 -6.952 4.128 1.00 0.00 C ATOM 0 H LEU A 48 -0.043 -6.303 5.540 1.00 0.00 H new ATOM 0 HA LEU A 48 0.440 -7.393 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.994 -6.494 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.316 -8.203 5.384 1.00 0.00 H new ATOM 0 HG LEU A 48 3.193 -8.394 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.402 -6.430 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.700 -6.821 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.485 -5.458 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.154 -6.915 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.305 -5.963 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.731 -7.661 4.891 1.00 0.00 H new ATOM 692 N GLN A 49 0.025 -9.859 5.310 1.00 0.00 N ATOM 693 CA GLN A 49 -0.203 -11.295 5.414 1.00 0.00 C ATOM 694 C GLN A 49 -1.442 -11.709 4.628 1.00 0.00 C ATOM 695 O GLN A 49 -2.548 -11.744 5.167 1.00 0.00 O ATOM 696 CB GLN A 49 -0.354 -11.704 6.881 1.00 0.00 C ATOM 697 CG GLN A 49 -0.146 -13.190 7.122 1.00 0.00 C ATOM 698 CD GLN A 49 1.320 -13.568 7.202 1.00 0.00 C ATOM 699 OE1 GLN A 49 2.102 -12.926 7.904 1.00 0.00 O ATOM 700 NE2 GLN A 49 1.702 -14.616 6.481 1.00 0.00 N ATOM 0 H GLN A 49 -0.115 -9.346 6.180 1.00 0.00 H new ATOM 0 HA GLN A 49 0.661 -11.806 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.362 -11.143 7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.349 -11.424 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.642 -13.477 8.049 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.620 -13.754 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.021 -15.120 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.676 -14.917 6.495 1.00 0.00 H new ATOM 709 N SER A 50 -1.250 -12.020 3.350 1.00 0.00 N ATOM 710 CA SER A 50 -2.353 -12.427 2.488 1.00 0.00 C ATOM 711 C SER A 50 -3.387 -11.311 2.365 1.00 0.00 C ATOM 712 O SER A 50 -4.571 -11.513 2.637 1.00 0.00 O ATOM 713 CB SER A 50 -3.015 -13.693 3.035 1.00 0.00 C ATOM 714 OG SER A 50 -2.119 -14.790 3.007 1.00 0.00 O ATOM 0 H SER A 50 -0.341 -11.998 2.889 1.00 0.00 H new ATOM 0 HA SER A 50 -1.950 -12.636 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.350 -13.519 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.901 -13.928 2.445 1.00 0.00 H new ATOM 0 HG SER A 50 -2.566 -15.586 3.363 1.00 0.00 H new ATOM 720 N VAL A 51 -2.930 -10.132 1.955 1.00 0.00 N ATOM 721 CA VAL A 51 -3.814 -8.984 1.795 1.00 0.00 C ATOM 722 C VAL A 51 -4.940 -9.289 0.814 1.00 0.00 C ATOM 723 O VAL A 51 -4.755 -9.220 -0.401 1.00 0.00 O ATOM 724 CB VAL A 51 -3.041 -7.746 1.303 1.00 0.00 C ATOM 725 CG1 VAL A 51 -2.102 -7.237 2.386 1.00 0.00 C ATOM 726 CG2 VAL A 51 -2.275 -8.068 0.029 1.00 0.00 C ATOM 0 H VAL A 51 -1.953 -9.947 1.728 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.239 -8.773 2.776 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.759 -6.957 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.565 -6.362 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.679 -6.965 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.388 -8.019 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.735 -7.182 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.567 -8.873 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.974 -8.380 -0.747 1.00 0.00 H new ATOM 736 N PHE A 52 -6.108 -9.627 1.350 1.00 0.00 N ATOM 737 CA PHE A 52 -7.266 -9.944 0.522 1.00 0.00 C ATOM 738 C PHE A 52 -8.048 -8.681 0.173 1.00 0.00 C ATOM 739 O PHE A 52 -8.273 -8.383 -1.000 1.00 0.00 O ATOM 740 CB PHE A 52 -8.178 -10.939 1.242 1.00 0.00 C ATOM 741 CG PHE A 52 -9.106 -11.678 0.321 1.00 0.00 C ATOM 742 CD1 PHE A 52 -8.605 -12.483 -0.689 1.00 0.00 C ATOM 743 CD2 PHE A 52 -10.480 -11.567 0.465 1.00 0.00 C ATOM 744 CE1 PHE A 52 -9.456 -13.164 -1.539 1.00 0.00 C ATOM 745 CE2 PHE A 52 -11.336 -12.246 -0.382 1.00 0.00 C ATOM 746 CZ PHE A 52 -10.824 -13.045 -1.385 1.00 0.00 C ATOM 0 H PHE A 52 -6.278 -9.688 2.354 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.907 -10.395 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.562 -11.660 1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.768 -10.405 1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.537 -12.580 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.886 -10.943 1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.052 -13.788 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.405 -12.152 -0.259 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.491 -13.576 -2.048 1.00 0.00 H new ATOM 756 N GLN A 53 -8.458 -7.944 1.200 1.00 0.00 N ATOM 757 CA GLN A 53 -9.215 -6.714 1.002 1.00 0.00 C ATOM 758 C GLN A 53 -9.120 -5.812 2.229 1.00 0.00 C ATOM 759 O GLN A 53 -8.896 -6.285 3.342 1.00 0.00 O ATOM 760 CB GLN A 53 -10.680 -7.034 0.703 1.00 0.00 C ATOM 761 CG GLN A 53 -11.362 -5.999 -0.177 1.00 0.00 C ATOM 762 CD GLN A 53 -12.838 -6.284 -0.377 1.00 0.00 C ATOM 763 OE1 GLN A 53 -13.235 -7.424 -0.621 1.00 0.00 O ATOM 764 NE2 GLN A 53 -13.661 -5.246 -0.273 1.00 0.00 N ATOM 0 H GLN A 53 -8.279 -8.177 2.177 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.785 -6.186 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.738 -8.008 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.225 -7.115 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.244 -5.012 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.867 -5.970 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.289 -4.318 -0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.665 -5.377 -0.397 1.00 0.00 H new ATOM 773 N GLY A 54 -9.291 -4.511 2.016 1.00 0.00 N ATOM 774 CA GLY A 54 -9.220 -3.564 3.114 1.00 0.00 C ATOM 775 C GLY A 54 -10.251 -2.460 2.994 1.00 0.00 C ATOM 776 O GLY A 54 -11.335 -2.549 3.570 1.00 0.00 O ATOM 0 H GLY A 54 -9.477 -4.096 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.366 -4.093 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.223 -3.124 3.147 1.00 0.00 H new ATOM 780 N GLN A 55 -9.912 -1.415 2.246 1.00 0.00 N ATOM 781 CA GLN A 55 -10.817 -0.287 2.055 1.00 0.00 C ATOM 782 C GLN A 55 -11.601 0.003 3.330 1.00 0.00 C ATOM 783 O GLN A 55 -12.799 0.284 3.285 1.00 0.00 O ATOM 784 CB GLN A 55 -11.781 -0.569 0.902 1.00 0.00 C ATOM 785 CG GLN A 55 -11.129 -0.493 -0.469 1.00 0.00 C ATOM 786 CD GLN A 55 -10.451 -1.790 -0.865 1.00 0.00 C ATOM 787 OE1 GLN A 55 -11.101 -2.726 -1.332 1.00 0.00 O ATOM 788 NE2 GLN A 55 -9.138 -1.852 -0.681 1.00 0.00 N ATOM 0 H GLN A 55 -9.018 -1.326 1.763 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.218 0.590 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.213 -1.561 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.603 0.145 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.884 -0.240 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.395 0.313 -0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.639 -1.052 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.628 -2.699 -0.930 1.00 0.00 H new ATOM 797 N LYS A 56 -10.918 -0.067 4.468 1.00 0.00 N ATOM 798 CA LYS A 56 -11.549 0.189 5.757 1.00 0.00 C ATOM 799 C LYS A 56 -10.507 0.267 6.868 1.00 0.00 C ATOM 800 O LYS A 56 -9.951 -0.749 7.285 1.00 0.00 O ATOM 801 CB LYS A 56 -12.568 -0.907 6.076 1.00 0.00 C ATOM 802 CG LYS A 56 -13.434 -0.601 7.286 1.00 0.00 C ATOM 803 CD LYS A 56 -14.369 -1.753 7.609 1.00 0.00 C ATOM 804 CE LYS A 56 -14.675 -1.823 9.097 1.00 0.00 C ATOM 805 NZ LYS A 56 -13.690 -2.670 9.826 1.00 0.00 N ATOM 0 H LYS A 56 -9.926 -0.299 4.523 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.063 1.148 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.211 -1.057 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.039 -1.845 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.798 -0.395 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.017 0.300 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.298 -1.636 7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.918 -2.691 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.670 -0.817 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.678 -2.224 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.933 -2.693 10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.713 -3.637 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.736 -2.273 9.708 1.00 0.00 H new ATOM 819 N THR A 57 -10.246 1.481 7.344 1.00 0.00 N ATOM 820 CA THR A 57 -9.270 1.691 8.406 1.00 0.00 C ATOM 821 C THR A 57 -9.955 1.845 9.759 1.00 0.00 C ATOM 822 O THR A 57 -9.646 1.123 10.707 1.00 0.00 O ATOM 823 CB THR A 57 -8.406 2.938 8.137 1.00 0.00 C ATOM 824 OG1 THR A 57 -7.751 2.815 6.869 1.00 0.00 O ATOM 825 CG2 THR A 57 -7.369 3.125 9.234 1.00 0.00 C ATOM 0 H THR A 57 -10.697 2.333 7.011 1.00 0.00 H new ATOM 0 HA THR A 57 -8.628 0.810 8.424 1.00 0.00 H new ATOM 0 HB THR A 57 -9.059 3.810 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.489 3.703 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.771 4.011 9.022 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.872 3.247 10.193 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.720 2.250 9.274 1.00 0.00 H new ATOM 833 N GLU A 58 -10.888 2.789 9.842 1.00 0.00 N ATOM 834 CA GLU A 58 -11.616 3.036 11.080 1.00 0.00 C ATOM 835 C GLU A 58 -13.096 2.702 10.917 1.00 0.00 C ATOM 836 O GLU A 58 -13.565 2.436 9.810 1.00 0.00 O ATOM 837 CB GLU A 58 -11.456 4.495 11.510 1.00 0.00 C ATOM 838 CG GLU A 58 -11.958 5.492 10.479 1.00 0.00 C ATOM 839 CD GLU A 58 -13.470 5.592 10.452 1.00 0.00 C ATOM 840 OE1 GLU A 58 -14.044 6.163 11.404 1.00 0.00 O ATOM 841 OE2 GLU A 58 -14.081 5.100 9.481 1.00 0.00 O ATOM 0 H GLU A 58 -11.157 3.395 9.066 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.198 2.390 11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.994 4.650 12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.403 4.692 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.537 6.474 10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.599 5.200 9.492 1.00 0.00 H new ATOM 848 N SER A 59 -13.827 2.718 12.027 1.00 0.00 N ATOM 849 CA SER A 59 -15.253 2.413 12.009 1.00 0.00 C ATOM 850 C SER A 59 -16.080 3.692 11.919 1.00 0.00 C ATOM 851 O SER A 59 -16.928 3.835 11.039 1.00 0.00 O ATOM 852 CB SER A 59 -15.644 1.626 13.261 1.00 0.00 C ATOM 853 OG SER A 59 -17.002 1.225 13.208 1.00 0.00 O ATOM 0 H SER A 59 -13.455 2.939 12.951 1.00 0.00 H new ATOM 0 HA SER A 59 -15.459 1.805 11.128 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.006 0.748 13.356 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.477 2.239 14.147 1.00 0.00 H new ATOM 0 HG SER A 59 -17.227 0.723 14.019 1.00 0.00 H new ATOM 859 N GLY A 60 -15.827 4.619 12.837 1.00 0.00 N ATOM 860 CA GLY A 60 -16.556 5.874 12.845 1.00 0.00 C ATOM 861 C GLY A 60 -17.595 5.934 13.948 1.00 0.00 C ATOM 862 O GLY A 60 -18.033 4.911 14.473 1.00 0.00 O ATOM 0 H GLY A 60 -15.130 4.524 13.576 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.853 6.698 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.046 6.012 11.881 1.00 0.00 H new ATOM 866 N PRO A 61 -18.003 7.158 14.315 1.00 0.00 N ATOM 867 CA PRO A 61 -19.000 7.377 15.367 1.00 0.00 C ATOM 868 C PRO A 61 -20.396 6.931 14.945 1.00 0.00 C ATOM 869 O PRO A 61 -21.175 6.442 15.762 1.00 0.00 O ATOM 870 CB PRO A 61 -18.964 8.893 15.580 1.00 0.00 C ATOM 871 CG PRO A 61 -18.475 9.445 14.285 1.00 0.00 C ATOM 872 CD PRO A 61 -17.523 8.422 13.732 1.00 0.00 C ATOM 0 HA PRO A 61 -18.778 6.801 16.265 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.952 9.282 15.829 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -18.300 9.162 16.401 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.303 9.619 13.598 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -17.976 10.403 14.433 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.548 8.397 12.643 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.494 8.633 14.022 1.00 0.00 H new ATOM 880 N SER A 62 -20.704 7.103 13.664 1.00 0.00 N ATOM 881 CA SER A 62 -22.008 6.722 13.134 1.00 0.00 C ATOM 882 C SER A 62 -22.022 5.249 12.734 1.00 0.00 C ATOM 883 O SER A 62 -20.973 4.616 12.617 1.00 0.00 O ATOM 884 CB SER A 62 -22.367 7.592 11.928 1.00 0.00 C ATOM 885 OG SER A 62 -23.744 7.484 11.612 1.00 0.00 O ATOM 0 H SER A 62 -20.069 7.504 12.974 1.00 0.00 H new ATOM 0 HA SER A 62 -22.750 6.876 13.918 1.00 0.00 H new ATOM 0 HB2 SER A 62 -22.120 8.632 12.140 1.00 0.00 H new ATOM 0 HB3 SER A 62 -21.769 7.291 11.068 1.00 0.00 H new ATOM 0 HG SER A 62 -23.948 8.051 10.839 1.00 0.00 H new ATOM 891 N SER A 63 -23.219 4.710 12.528 1.00 0.00 N ATOM 892 CA SER A 63 -23.372 3.311 12.145 1.00 0.00 C ATOM 893 C SER A 63 -23.219 3.140 10.637 1.00 0.00 C ATOM 894 O SER A 63 -22.583 2.196 10.169 1.00 0.00 O ATOM 895 CB SER A 63 -24.737 2.784 12.594 1.00 0.00 C ATOM 896 OG SER A 63 -25.778 3.323 11.798 1.00 0.00 O ATOM 0 H SER A 63 -24.097 5.221 12.620 1.00 0.00 H new ATOM 0 HA SER A 63 -22.588 2.737 12.639 1.00 0.00 H new ATOM 0 HB2 SER A 63 -24.750 1.696 12.528 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.904 3.042 13.640 1.00 0.00 H new ATOM 0 HG SER A 63 -26.640 2.970 12.103 1.00 0.00 H new ATOM 902 N GLY A 64 -23.807 4.062 9.880 1.00 0.00 N ATOM 903 CA GLY A 64 -23.725 3.996 8.433 1.00 0.00 C ATOM 904 C GLY A 64 -24.405 2.764 7.869 1.00 0.00 C ATOM 905 O GLY A 64 -25.438 2.355 8.398 1.00 0.00 O ATOM 0 H GLY A 64 -24.338 4.853 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -24.183 4.888 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -22.678 3.999 8.131 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.685 4.598 5.767 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.087 5.106 -0.334 1.00 0.00 ZN