USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 406 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 20 HIS HD1 : A 20 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.11 USER MOD Single : A 8 SER OG : rot 20:sc= -0.255 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -3.37! C(o=-4.2!,f=-3.4!) USER MOD Single : A 23 LYS NZ :NH3+ 135:sc= -0.388 (180deg=-0.551) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= -0.25 (180deg=-1.21!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.00068) USER MOD Single : A 49 HIS : no HD1:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.664 -21.064 8.153 1.00 0.00 N ATOM 2 CA GLY A 1 -0.372 -20.432 8.343 1.00 0.00 C ATOM 3 C GLY A 1 0.234 -20.746 9.697 1.00 0.00 C ATOM 4 O GLY A 1 -0.153 -20.159 10.708 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.036 -20.819 7.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.560 -22.096 8.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.324 -20.731 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.309 -20.762 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.480 -19.352 8.238 1.00 0.00 H new ATOM 8 N SER A 2 1.184 -21.674 9.717 1.00 0.00 N ATOM 9 CA SER A 2 1.841 -22.069 10.958 1.00 0.00 C ATOM 10 C SER A 2 2.893 -21.043 11.367 1.00 0.00 C ATOM 11 O SER A 2 2.829 -20.470 12.454 1.00 0.00 O ATOM 12 CB SER A 2 2.488 -23.446 10.802 1.00 0.00 C ATOM 13 OG SER A 2 3.297 -23.760 11.922 1.00 0.00 O ATOM 0 H SER A 2 1.517 -22.167 8.888 1.00 0.00 H new ATOM 0 HA SER A 2 1.084 -22.118 11.741 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.713 -24.204 10.685 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.093 -23.466 9.896 1.00 0.00 H new ATOM 0 HG SER A 2 3.698 -24.646 11.798 1.00 0.00 H new ATOM 19 N SER A 3 3.863 -20.817 10.486 1.00 0.00 N ATOM 20 CA SER A 3 4.932 -19.863 10.755 1.00 0.00 C ATOM 21 C SER A 3 5.391 -19.184 9.468 1.00 0.00 C ATOM 22 O SER A 3 5.416 -19.799 8.403 1.00 0.00 O ATOM 23 CB SER A 3 6.115 -20.566 11.423 1.00 0.00 C ATOM 24 OG SER A 3 6.680 -21.541 10.565 1.00 0.00 O ATOM 0 H SER A 3 3.930 -21.282 9.580 1.00 0.00 H new ATOM 0 HA SER A 3 4.543 -19.100 11.429 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.874 -19.831 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.786 -21.039 12.348 1.00 0.00 H new ATOM 0 HG SER A 3 7.435 -21.974 11.015 1.00 0.00 H new ATOM 30 N GLY A 4 5.754 -17.909 9.575 1.00 0.00 N ATOM 31 CA GLY A 4 6.207 -17.166 8.414 1.00 0.00 C ATOM 32 C GLY A 4 7.537 -16.479 8.648 1.00 0.00 C ATOM 33 O GLY A 4 8.094 -16.546 9.744 1.00 0.00 O ATOM 0 H GLY A 4 5.742 -17.378 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.296 -17.844 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.458 -16.420 8.149 1.00 0.00 H new ATOM 37 N SER A 5 8.050 -15.817 7.615 1.00 0.00 N ATOM 38 CA SER A 5 9.326 -15.119 7.712 1.00 0.00 C ATOM 39 C SER A 5 9.148 -13.746 8.352 1.00 0.00 C ATOM 40 O SER A 5 8.091 -13.126 8.233 1.00 0.00 O ATOM 41 CB SER A 5 9.956 -14.970 6.326 1.00 0.00 C ATOM 42 OG SER A 5 11.358 -14.786 6.420 1.00 0.00 O ATOM 0 H SER A 5 7.601 -15.750 6.702 1.00 0.00 H new ATOM 0 HA SER A 5 9.988 -15.711 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.742 -15.856 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.509 -14.121 5.809 1.00 0.00 H new ATOM 0 HG SER A 5 11.737 -14.695 5.521 1.00 0.00 H new ATOM 48 N SER A 6 10.189 -13.277 9.032 1.00 0.00 N ATOM 49 CA SER A 6 10.147 -11.979 9.696 1.00 0.00 C ATOM 50 C SER A 6 10.411 -10.852 8.702 1.00 0.00 C ATOM 51 O SER A 6 9.737 -9.823 8.718 1.00 0.00 O ATOM 52 CB SER A 6 11.175 -11.927 10.827 1.00 0.00 C ATOM 53 OG SER A 6 12.489 -11.780 10.317 1.00 0.00 O ATOM 0 H SER A 6 11.072 -13.776 9.138 1.00 0.00 H new ATOM 0 HA SER A 6 9.150 -11.845 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.945 -11.095 11.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.112 -12.838 11.421 1.00 0.00 H new ATOM 0 HG SER A 6 13.127 -11.748 11.060 1.00 0.00 H new ATOM 59 N GLY A 7 11.399 -11.055 7.835 1.00 0.00 N ATOM 60 CA GLY A 7 11.736 -10.049 6.845 1.00 0.00 C ATOM 61 C GLY A 7 12.914 -10.456 5.983 1.00 0.00 C ATOM 62 O GLY A 7 13.766 -11.235 6.411 1.00 0.00 O ATOM 0 H GLY A 7 11.972 -11.898 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.870 -9.866 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.966 -9.110 7.349 1.00 0.00 H new ATOM 66 N SER A 8 12.963 -9.930 4.763 1.00 0.00 N ATOM 67 CA SER A 8 14.042 -10.248 3.836 1.00 0.00 C ATOM 68 C SER A 8 14.995 -9.065 3.685 1.00 0.00 C ATOM 69 O SER A 8 14.591 -7.947 3.367 1.00 0.00 O ATOM 70 CB SER A 8 13.472 -10.635 2.470 1.00 0.00 C ATOM 71 OG SER A 8 12.850 -9.526 1.844 1.00 0.00 O ATOM 0 H SER A 8 12.268 -9.282 4.394 1.00 0.00 H new ATOM 0 HA SER A 8 14.599 -11.092 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.271 -11.015 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.749 -11.442 2.590 1.00 0.00 H new ATOM 0 HG SER A 8 13.183 -8.696 2.243 1.00 0.00 H new ATOM 77 N PRO A 9 16.291 -9.318 3.920 1.00 0.00 N ATOM 78 CA PRO A 9 17.329 -8.288 3.816 1.00 0.00 C ATOM 79 C PRO A 9 17.574 -7.853 2.375 1.00 0.00 C ATOM 80 O PRO A 9 18.200 -6.824 2.126 1.00 0.00 O ATOM 81 CB PRO A 9 18.572 -8.978 4.384 1.00 0.00 C ATOM 82 CG PRO A 9 18.329 -10.432 4.170 1.00 0.00 C ATOM 83 CD PRO A 9 16.844 -10.628 4.303 1.00 0.00 C ATOM 0 HA PRO A 9 17.051 -7.376 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.476 -8.648 3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.703 -8.750 5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.677 -10.745 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.869 -11.030 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 9 16.484 -11.423 3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.564 -10.900 5.321 1.00 0.00 H new ATOM 91 N GLU A 10 17.074 -8.645 1.431 1.00 0.00 N ATOM 92 CA GLU A 10 17.240 -8.340 0.014 1.00 0.00 C ATOM 93 C GLU A 10 15.903 -7.967 -0.622 1.00 0.00 C ATOM 94 O GLU A 10 15.764 -7.966 -1.844 1.00 0.00 O ATOM 95 CB GLU A 10 17.849 -9.537 -0.720 1.00 0.00 C ATOM 96 CG GLU A 10 16.937 -10.751 -0.768 1.00 0.00 C ATOM 97 CD GLU A 10 15.828 -10.607 -1.792 1.00 0.00 C ATOM 98 OE1 GLU A 10 16.124 -10.692 -3.002 1.00 0.00 O ATOM 99 OE2 GLU A 10 14.665 -10.410 -1.383 1.00 0.00 O ATOM 0 H GLU A 10 16.552 -9.500 1.621 1.00 0.00 H new ATOM 0 HA GLU A 10 17.915 -7.488 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.097 -9.239 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.783 -9.814 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.529 -11.636 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.498 -10.911 0.217 1.00 0.00 H new ATOM 106 N GLY A 11 14.923 -7.650 0.219 1.00 0.00 N ATOM 107 CA GLY A 11 13.611 -7.280 -0.278 1.00 0.00 C ATOM 108 C GLY A 11 13.132 -5.954 0.278 1.00 0.00 C ATOM 109 O GLY A 11 12.818 -5.849 1.463 1.00 0.00 O ATOM 0 H GLY A 11 15.014 -7.643 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.641 -7.224 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.895 -8.059 -0.018 1.00 0.00 H new ATOM 113 N GLN A 12 13.079 -4.939 -0.578 1.00 0.00 N ATOM 114 CA GLN A 12 12.638 -3.613 -0.164 1.00 0.00 C ATOM 115 C GLN A 12 11.283 -3.682 0.533 1.00 0.00 C ATOM 116 O GLN A 12 10.262 -3.957 -0.097 1.00 0.00 O ATOM 117 CB GLN A 12 12.555 -2.679 -1.373 1.00 0.00 C ATOM 118 CG GLN A 12 11.791 -3.269 -2.546 1.00 0.00 C ATOM 119 CD GLN A 12 11.566 -2.266 -3.660 1.00 0.00 C ATOM 120 OE1 GLN A 12 10.724 -1.374 -3.547 1.00 0.00 O ATOM 121 NE2 GLN A 12 12.319 -2.406 -4.745 1.00 0.00 N ATOM 0 H GLN A 12 13.336 -5.010 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 12 13.370 -3.219 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.076 -1.748 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.565 -2.428 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.340 -4.125 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.828 -3.641 -2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.005 -3.160 -4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.212 -1.760 -5.527 1.00 0.00 H new ATOM 130 N LYS A 13 11.281 -3.432 1.838 1.00 0.00 N ATOM 131 CA LYS A 13 10.053 -3.465 2.622 1.00 0.00 C ATOM 132 C LYS A 13 9.518 -2.056 2.856 1.00 0.00 C ATOM 133 O LYS A 13 10.080 -1.289 3.638 1.00 0.00 O ATOM 134 CB LYS A 13 10.299 -4.158 3.965 1.00 0.00 C ATOM 135 CG LYS A 13 11.478 -3.590 4.735 1.00 0.00 C ATOM 136 CD LYS A 13 11.728 -4.361 6.020 1.00 0.00 C ATOM 137 CE LYS A 13 12.693 -5.516 5.800 1.00 0.00 C ATOM 138 NZ LYS A 13 13.122 -6.134 7.085 1.00 0.00 N ATOM 0 H LYS A 13 12.118 -3.204 2.375 1.00 0.00 H new ATOM 0 HA LYS A 13 9.308 -4.029 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.401 -4.074 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.468 -5.221 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.371 -3.622 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.290 -2.542 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.131 -3.688 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.783 -4.744 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.218 -6.272 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.569 -5.159 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.779 -6.917 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.598 -5.420 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.289 -6.498 7.590 1.00 0.00 H new ATOM 152 N VAL A 14 8.427 -1.721 2.174 1.00 0.00 N ATOM 153 CA VAL A 14 7.815 -0.404 2.309 1.00 0.00 C ATOM 154 C VAL A 14 6.294 -0.499 2.265 1.00 0.00 C ATOM 155 O VAL A 14 5.702 -0.642 1.195 1.00 0.00 O ATOM 156 CB VAL A 14 8.292 0.553 1.201 1.00 0.00 C ATOM 157 CG1 VAL A 14 8.226 -0.128 -0.158 1.00 0.00 C ATOM 158 CG2 VAL A 14 7.465 1.829 1.208 1.00 0.00 C ATOM 0 H VAL A 14 7.949 -2.343 1.523 1.00 0.00 H new ATOM 0 HA VAL A 14 8.124 -0.008 3.277 1.00 0.00 H new ATOM 0 HB VAL A 14 9.331 0.819 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.567 0.564 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.865 -1.011 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.198 -0.425 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.815 2.494 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.417 1.584 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.569 2.325 2.173 1.00 0.00 H new ATOM 168 N ASP A 15 5.668 -0.416 3.433 1.00 0.00 N ATOM 169 CA ASP A 15 4.214 -0.490 3.528 1.00 0.00 C ATOM 170 C ASP A 15 3.695 -1.785 2.910 1.00 0.00 C ATOM 171 O ASP A 15 2.752 -1.772 2.118 1.00 0.00 O ATOM 172 CB ASP A 15 3.574 0.713 2.834 1.00 0.00 C ATOM 173 CG ASP A 15 3.766 2.000 3.613 1.00 0.00 C ATOM 174 OD1 ASP A 15 4.917 2.479 3.693 1.00 0.00 O ATOM 175 OD2 ASP A 15 2.766 2.528 4.141 1.00 0.00 O ATOM 0 H ASP A 15 6.144 -0.297 4.327 1.00 0.00 H new ATOM 0 HA ASP A 15 3.942 -0.477 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.004 0.826 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.508 0.528 2.701 1.00 0.00 H new ATOM 180 N HIS A 16 4.316 -2.901 3.278 1.00 0.00 N ATOM 181 CA HIS A 16 3.916 -4.204 2.760 1.00 0.00 C ATOM 182 C HIS A 16 2.692 -4.732 3.501 1.00 0.00 C ATOM 183 O HIS A 16 2.675 -4.790 4.731 1.00 0.00 O ATOM 184 CB HIS A 16 5.069 -5.201 2.882 1.00 0.00 C ATOM 185 CG HIS A 16 6.051 -5.123 1.754 1.00 0.00 C ATOM 186 ND1 HIS A 16 6.671 -6.099 1.051 1.00 0.00 N flip ATOM 187 CD2 HIS A 16 6.500 -3.930 1.228 1.00 0.00 C flip ATOM 188 CE1 HIS A 16 7.475 -5.485 0.122 1.00 0.00 C flip ATOM 189 NE2 HIS A 16 7.353 -4.176 0.250 1.00 0.00 N flip ATOM 0 H HIS A 16 5.098 -2.929 3.933 1.00 0.00 H new ATOM 0 HA HIS A 16 3.658 -4.084 1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.593 -5.025 3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.662 -6.211 2.929 1.00 0.00 H new ATOM 0 HD1 HIS A 16 6.562 -7.104 1.186 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.201 -2.948 1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.104 -5.990 -0.596 1.00 0.00 H new ATOM 198 N CYS A 17 1.668 -5.115 2.745 1.00 0.00 N ATOM 199 CA CYS A 17 0.438 -5.636 3.330 1.00 0.00 C ATOM 200 C CYS A 17 0.728 -6.836 4.227 1.00 0.00 C ATOM 201 O CYS A 17 1.333 -7.817 3.793 1.00 0.00 O ATOM 202 CB CYS A 17 -0.546 -6.035 2.228 1.00 0.00 C ATOM 203 SG CYS A 17 -2.229 -6.388 2.827 1.00 0.00 S ATOM 0 H CYS A 17 1.666 -5.074 1.726 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.007 -4.849 3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.595 -5.233 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.162 -6.917 1.715 1.00 0.00 H new ATOM 208 N ALA A 18 0.293 -6.751 5.479 1.00 0.00 N ATOM 209 CA ALA A 18 0.503 -7.830 6.436 1.00 0.00 C ATOM 210 C ALA A 18 -0.405 -9.017 6.135 1.00 0.00 C ATOM 211 O ALA A 18 -0.355 -10.039 6.818 1.00 0.00 O ATOM 212 CB ALA A 18 0.269 -7.331 7.854 1.00 0.00 C ATOM 0 H ALA A 18 -0.207 -5.946 5.855 1.00 0.00 H new ATOM 0 HA ALA A 18 1.536 -8.165 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.429 -8.147 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.964 -6.520 8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.754 -6.967 7.947 1.00 0.00 H new ATOM 218 N ARG A 19 -1.236 -8.873 5.107 1.00 0.00 N ATOM 219 CA ARG A 19 -2.158 -9.933 4.716 1.00 0.00 C ATOM 220 C ARG A 19 -1.599 -10.735 3.545 1.00 0.00 C ATOM 221 O ARG A 19 -1.657 -11.966 3.537 1.00 0.00 O ATOM 222 CB ARG A 19 -3.518 -9.343 4.341 1.00 0.00 C ATOM 223 CG ARG A 19 -4.511 -10.376 3.833 1.00 0.00 C ATOM 224 CD ARG A 19 -5.933 -9.836 3.849 1.00 0.00 C ATOM 225 NE ARG A 19 -6.923 -10.897 3.684 1.00 0.00 N ATOM 226 CZ ARG A 19 -8.231 -10.710 3.824 1.00 0.00 C ATOM 227 NH1 ARG A 19 -8.703 -9.510 4.130 1.00 0.00 N ATOM 228 NH2 ARG A 19 -9.069 -11.725 3.658 1.00 0.00 N ATOM 0 H ARG A 19 -1.289 -8.033 4.530 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.283 -10.603 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.941 -8.843 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.375 -8.581 3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.244 -10.671 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.454 -11.272 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.113 -9.316 4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.051 -9.103 3.051 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.592 -11.833 3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.062 -8.727 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.708 -9.369 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.709 -12.650 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.073 -11.580 3.766 1.00 0.00 H new ATOM 242 N HIS A 20 -1.057 -10.031 2.557 1.00 0.00 N ATOM 243 CA HIS A 20 -0.487 -10.677 1.380 1.00 0.00 C ATOM 244 C HIS A 20 1.005 -10.379 1.265 1.00 0.00 C ATOM 245 O HIS A 20 1.783 -11.219 0.816 1.00 0.00 O ATOM 246 CB HIS A 20 -1.211 -10.211 0.116 1.00 0.00 C ATOM 247 CG HIS A 20 -2.703 -10.240 0.235 1.00 0.00 C ATOM 248 ND1 HIS A 20 -3.441 -9.177 0.712 1.00 0.00 N ATOM 249 CD2 HIS A 20 -3.597 -11.211 -0.066 1.00 0.00 C ATOM 250 CE1 HIS A 20 -4.723 -9.494 0.701 1.00 0.00 C ATOM 251 NE2 HIS A 20 -4.845 -10.723 0.233 1.00 0.00 N ATOM 0 H HIS A 20 -1.000 -9.013 2.548 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.617 -11.754 1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.893 -9.196 -0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.909 -10.843 -0.719 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.371 -12.188 -0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.534 -8.856 1.021 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.723 -11.227 0.113 1.00 0.00 H new ATOM 259 N GLY A 21 1.396 -9.176 1.675 1.00 0.00 N ATOM 260 CA GLY A 21 2.793 -8.788 1.609 1.00 0.00 C ATOM 261 C GLY A 21 3.070 -7.803 0.491 1.00 0.00 C ATOM 262 O GLY A 21 4.136 -7.190 0.445 1.00 0.00 O ATOM 0 H GLY A 21 0.771 -8.464 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.089 -8.346 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.407 -9.677 1.466 1.00 0.00 H new ATOM 266 N GLU A 22 2.107 -7.651 -0.414 1.00 0.00 N ATOM 267 CA GLU A 22 2.254 -6.735 -1.538 1.00 0.00 C ATOM 268 C GLU A 22 2.380 -5.294 -1.053 1.00 0.00 C ATOM 269 O GLU A 22 1.765 -4.905 -0.060 1.00 0.00 O ATOM 270 CB GLU A 22 1.061 -6.862 -2.488 1.00 0.00 C ATOM 271 CG GLU A 22 1.239 -7.936 -3.548 1.00 0.00 C ATOM 272 CD GLU A 22 1.991 -9.147 -3.032 1.00 0.00 C ATOM 273 OE1 GLU A 22 1.395 -9.933 -2.267 1.00 0.00 O ATOM 274 OE2 GLU A 22 3.176 -9.308 -3.392 1.00 0.00 O ATOM 0 H GLU A 22 1.218 -8.150 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 22 3.166 -7.001 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.166 -7.082 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.894 -5.903 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.260 -8.249 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.775 -7.516 -4.399 1.00 0.00 H new ATOM 281 N LYS A 23 3.182 -4.505 -1.760 1.00 0.00 N ATOM 282 CA LYS A 23 3.390 -3.107 -1.404 1.00 0.00 C ATOM 283 C LYS A 23 2.082 -2.326 -1.478 1.00 0.00 C ATOM 284 O LYS A 23 1.315 -2.469 -2.431 1.00 0.00 O ATOM 285 CB LYS A 23 4.428 -2.472 -2.332 1.00 0.00 C ATOM 286 CG LYS A 23 5.755 -3.211 -2.357 1.00 0.00 C ATOM 287 CD LYS A 23 6.496 -2.984 -3.664 1.00 0.00 C ATOM 288 CE LYS A 23 7.082 -1.582 -3.736 1.00 0.00 C ATOM 289 NZ LYS A 23 6.128 -0.613 -4.345 1.00 0.00 N ATOM 0 H LYS A 23 3.699 -4.811 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 23 3.757 -3.070 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.024 -2.434 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.601 -1.442 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.374 -2.877 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.581 -4.278 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.295 -3.719 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.815 -3.138 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.349 -1.248 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.002 -1.602 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.113 0.261 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.429 -0.393 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.175 -1.029 -4.364 1.00 0.00 H new ATOM 303 N LEU A 24 1.834 -1.499 -0.468 1.00 0.00 N ATOM 304 CA LEU A 24 0.619 -0.694 -0.419 1.00 0.00 C ATOM 305 C LEU A 24 0.833 0.658 -1.092 1.00 0.00 C ATOM 306 O LEU A 24 1.483 1.544 -0.536 1.00 0.00 O ATOM 307 CB LEU A 24 0.176 -0.490 1.031 1.00 0.00 C ATOM 308 CG LEU A 24 -0.042 -1.762 1.852 1.00 0.00 C ATOM 309 CD1 LEU A 24 0.184 -1.488 3.330 1.00 0.00 C ATOM 310 CD2 LEU A 24 -1.440 -2.315 1.617 1.00 0.00 C ATOM 0 H LEU A 24 2.458 -1.369 0.328 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.162 -1.228 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.925 0.121 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.753 0.081 1.029 1.00 0.00 H new ATOM 0 HG LEU A 24 0.682 -2.510 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.024 -2.404 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.205 -1.139 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.515 -0.724 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.578 -3.220 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.180 -1.572 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.565 -2.550 0.560 1.00 0.00 H new ATOM 322 N LEU A 25 0.282 0.810 -2.291 1.00 0.00 N ATOM 323 CA LEU A 25 0.411 2.055 -3.040 1.00 0.00 C ATOM 324 C LEU A 25 -0.954 2.696 -3.271 1.00 0.00 C ATOM 325 O LEU A 25 -1.049 3.813 -3.781 1.00 0.00 O ATOM 326 CB LEU A 25 1.100 1.797 -4.382 1.00 0.00 C ATOM 327 CG LEU A 25 2.412 1.015 -4.323 1.00 0.00 C ATOM 328 CD1 LEU A 25 2.914 0.709 -5.725 1.00 0.00 C ATOM 329 CD2 LEU A 25 3.460 1.790 -3.537 1.00 0.00 C ATOM 0 H LEU A 25 -0.258 0.087 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 25 1.020 2.742 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.406 1.256 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.294 2.758 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 25 2.227 0.071 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.849 0.152 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.171 0.113 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.083 1.642 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.387 1.218 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.642 2.750 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.102 1.958 -2.521 1.00 0.00 H new ATOM 341 N LEU A 26 -2.008 1.983 -2.890 1.00 0.00 N ATOM 342 CA LEU A 26 -3.369 2.483 -3.053 1.00 0.00 C ATOM 343 C LEU A 26 -3.958 2.905 -1.711 1.00 0.00 C ATOM 344 O LEU A 26 -3.533 2.431 -0.658 1.00 0.00 O ATOM 345 CB LEU A 26 -4.252 1.412 -3.696 1.00 0.00 C ATOM 346 CG LEU A 26 -3.722 0.792 -4.989 1.00 0.00 C ATOM 347 CD1 LEU A 26 -4.416 -0.531 -5.271 1.00 0.00 C ATOM 348 CD2 LEU A 26 -3.906 1.752 -6.156 1.00 0.00 C ATOM 0 H LEU A 26 -1.947 1.057 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.334 3.356 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.406 0.613 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.229 1.850 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.656 0.600 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.025 -0.957 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.232 -1.221 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.488 -0.365 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.523 1.294 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.966 1.976 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.361 2.675 -5.957 1.00 0.00 H new ATOM 360 N PHE A 27 -4.941 3.799 -1.758 1.00 0.00 N ATOM 361 CA PHE A 27 -5.590 4.285 -0.546 1.00 0.00 C ATOM 362 C PHE A 27 -7.107 4.167 -0.657 1.00 0.00 C ATOM 363 O PHE A 27 -7.734 4.833 -1.481 1.00 0.00 O ATOM 364 CB PHE A 27 -5.198 5.740 -0.280 1.00 0.00 C ATOM 365 CG PHE A 27 -5.615 6.236 1.075 1.00 0.00 C ATOM 366 CD1 PHE A 27 -6.924 6.623 1.313 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.698 6.315 2.110 1.00 0.00 C ATOM 368 CE1 PHE A 27 -7.311 7.079 2.559 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.079 6.770 3.358 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.387 7.154 3.583 1.00 0.00 C ATOM 0 H PHE A 27 -5.305 4.201 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.255 3.668 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.117 5.840 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.647 6.374 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.650 6.568 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.674 6.018 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.335 7.376 2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.355 6.825 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.686 7.512 4.557 1.00 0.00 H new ATOM 380 N CYS A 28 -7.691 3.315 0.179 1.00 0.00 N ATOM 381 CA CYS A 28 -9.134 3.108 0.176 1.00 0.00 C ATOM 382 C CYS A 28 -9.852 4.269 0.857 1.00 0.00 C ATOM 383 O CYS A 28 -9.440 4.727 1.922 1.00 0.00 O ATOM 384 CB CYS A 28 -9.483 1.795 0.880 1.00 0.00 C ATOM 385 SG CYS A 28 -10.988 0.988 0.246 1.00 0.00 S ATOM 0 H CYS A 28 -7.187 2.757 0.868 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.466 3.057 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.644 1.106 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.609 1.989 1.945 1.00 0.00 H new ATOM 390 N GLN A 29 -10.927 4.740 0.233 1.00 0.00 N ATOM 391 CA GLN A 29 -11.702 5.848 0.778 1.00 0.00 C ATOM 392 C GLN A 29 -12.822 5.338 1.679 1.00 0.00 C ATOM 393 O GLN A 29 -13.104 5.921 2.725 1.00 0.00 O ATOM 394 CB GLN A 29 -12.287 6.695 -0.354 1.00 0.00 C ATOM 395 CG GLN A 29 -11.304 7.701 -0.931 1.00 0.00 C ATOM 396 CD GLN A 29 -11.318 9.023 -0.188 1.00 0.00 C ATOM 397 OE1 GLN A 29 -10.905 9.102 0.969 1.00 0.00 O ATOM 398 NE2 GLN A 29 -11.794 10.070 -0.851 1.00 0.00 N ATOM 0 H GLN A 29 -11.281 4.372 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.033 6.467 1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.629 6.035 -1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.163 7.227 0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.299 7.281 -0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.543 7.876 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.126 9.959 -1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.828 10.985 -0.402 1.00 0.00 H new ATOM 407 N GLU A 30 -13.458 4.247 1.264 1.00 0.00 N ATOM 408 CA GLU A 30 -14.548 3.660 2.033 1.00 0.00 C ATOM 409 C GLU A 30 -14.075 3.255 3.427 1.00 0.00 C ATOM 410 O GLU A 30 -14.778 3.461 4.416 1.00 0.00 O ATOM 411 CB GLU A 30 -15.119 2.442 1.304 1.00 0.00 C ATOM 412 CG GLU A 30 -15.969 2.799 0.096 1.00 0.00 C ATOM 413 CD GLU A 30 -17.304 3.406 0.482 1.00 0.00 C ATOM 414 OE1 GLU A 30 -17.415 3.927 1.612 1.00 0.00 O ATOM 415 OE2 GLU A 30 -18.239 3.360 -0.345 1.00 0.00 O ATOM 0 H GLU A 30 -13.237 3.752 0.400 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.330 4.412 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.297 1.803 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.721 1.860 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.423 3.502 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.140 1.903 -0.501 1.00 0.00 H new ATOM 422 N ASP A 31 -12.880 2.679 3.495 1.00 0.00 N ATOM 423 CA ASP A 31 -12.311 2.246 4.766 1.00 0.00 C ATOM 424 C ASP A 31 -11.268 3.243 5.262 1.00 0.00 C ATOM 425 O ASP A 31 -10.960 3.293 6.452 1.00 0.00 O ATOM 426 CB ASP A 31 -11.682 0.860 4.622 1.00 0.00 C ATOM 427 CG ASP A 31 -12.696 -0.198 4.233 1.00 0.00 C ATOM 428 OD1 ASP A 31 -13.313 -0.791 5.142 1.00 0.00 O ATOM 429 OD2 ASP A 31 -12.872 -0.434 3.019 1.00 0.00 O ATOM 0 H ASP A 31 -12.286 2.501 2.685 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.117 2.196 5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.894 0.898 3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.210 0.579 5.564 1.00 0.00 H new ATOM 434 N GLY A 32 -10.726 4.033 4.341 1.00 0.00 N ATOM 435 CA GLY A 32 -9.722 5.016 4.704 1.00 0.00 C ATOM 436 C GLY A 32 -8.392 4.382 5.060 1.00 0.00 C ATOM 437 O GLY A 32 -7.607 4.952 5.818 1.00 0.00 O ATOM 0 H GLY A 32 -10.964 4.010 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.580 5.709 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.080 5.601 5.551 1.00 0.00 H new ATOM 441 N LYS A 33 -8.137 3.199 4.513 1.00 0.00 N ATOM 442 CA LYS A 33 -6.893 2.485 4.777 1.00 0.00 C ATOM 443 C LYS A 33 -6.240 2.031 3.475 1.00 0.00 C ATOM 444 O LYS A 33 -6.925 1.664 2.520 1.00 0.00 O ATOM 445 CB LYS A 33 -7.156 1.276 5.677 1.00 0.00 C ATOM 446 CG LYS A 33 -8.332 0.426 5.226 1.00 0.00 C ATOM 447 CD LYS A 33 -7.880 -0.731 4.350 1.00 0.00 C ATOM 448 CE LYS A 33 -7.446 -1.926 5.186 1.00 0.00 C ATOM 449 NZ LYS A 33 -5.992 -1.880 5.506 1.00 0.00 N ATOM 0 H LYS A 33 -8.776 2.713 3.883 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.212 3.167 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.261 0.655 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.338 1.623 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.858 0.039 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.040 1.045 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.693 -1.026 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.053 -0.408 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.021 -1.950 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.670 -2.847 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.630 -2.849 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.481 -1.406 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.848 -1.353 6.391 1.00 0.00 H new ATOM 463 N VAL A 34 -4.911 2.057 3.445 1.00 0.00 N ATOM 464 CA VAL A 34 -4.166 1.646 2.261 1.00 0.00 C ATOM 465 C VAL A 34 -4.323 0.151 2.004 1.00 0.00 C ATOM 466 O VAL A 34 -4.172 -0.664 2.914 1.00 0.00 O ATOM 467 CB VAL A 34 -2.668 1.977 2.399 1.00 0.00 C ATOM 468 CG1 VAL A 34 -2.404 3.426 2.021 1.00 0.00 C ATOM 469 CG2 VAL A 34 -2.187 1.690 3.813 1.00 0.00 C ATOM 0 H VAL A 34 -4.329 2.358 4.227 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.578 2.202 1.419 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.109 1.340 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.340 3.641 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.709 3.594 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.973 4.083 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.127 1.930 3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.750 2.299 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.339 0.635 4.042 1.00 0.00 H new ATOM 479 N ILE A 35 -4.628 -0.200 0.760 1.00 0.00 N ATOM 480 CA ILE A 35 -4.804 -1.597 0.383 1.00 0.00 C ATOM 481 C ILE A 35 -3.957 -1.949 -0.835 1.00 0.00 C ATOM 482 O ILE A 35 -3.644 -1.088 -1.658 1.00 0.00 O ATOM 483 CB ILE A 35 -6.280 -1.916 0.077 1.00 0.00 C ATOM 484 CG1 ILE A 35 -6.739 -1.161 -1.172 1.00 0.00 C ATOM 485 CG2 ILE A 35 -7.156 -1.561 1.270 1.00 0.00 C ATOM 486 CD1 ILE A 35 -8.090 -1.608 -1.685 1.00 0.00 C ATOM 0 H ILE A 35 -4.758 0.463 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.480 -2.196 1.234 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.374 -2.985 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.779 -0.095 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.998 -1.294 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.196 -1.792 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.840 -2.139 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.060 -0.497 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.352 -1.030 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.050 -2.667 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.843 -1.449 -0.913 1.00 0.00 H new ATOM 498 N CYS A 36 -3.590 -3.222 -0.947 1.00 0.00 N ATOM 499 CA CYS A 36 -2.780 -3.690 -2.065 1.00 0.00 C ATOM 500 C CYS A 36 -3.657 -4.314 -3.147 1.00 0.00 C ATOM 501 O CYS A 36 -4.867 -4.459 -2.973 1.00 0.00 O ATOM 502 CB CYS A 36 -1.745 -4.707 -1.582 1.00 0.00 C ATOM 503 SG CYS A 36 -2.463 -6.274 -0.990 1.00 0.00 S ATOM 0 H CYS A 36 -3.841 -3.948 -0.276 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.262 -2.831 -2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.054 -4.921 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.160 -4.261 -0.778 1.00 0.00 H new ATOM 508 N TRP A 37 -3.037 -4.681 -4.263 1.00 0.00 N ATOM 509 CA TRP A 37 -3.760 -5.290 -5.373 1.00 0.00 C ATOM 510 C TRP A 37 -4.674 -6.407 -4.881 1.00 0.00 C ATOM 511 O TRP A 37 -5.882 -6.387 -5.122 1.00 0.00 O ATOM 512 CB TRP A 37 -2.778 -5.838 -6.410 1.00 0.00 C ATOM 513 CG TRP A 37 -1.457 -5.128 -6.409 1.00 0.00 C ATOM 514 CD1 TRP A 37 -0.218 -5.702 -6.383 1.00 0.00 C ATOM 515 CD2 TRP A 37 -1.245 -3.713 -6.435 1.00 0.00 C ATOM 516 NE1 TRP A 37 0.751 -4.729 -6.390 1.00 0.00 N ATOM 517 CE2 TRP A 37 0.147 -3.500 -6.423 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.096 -2.605 -6.470 1.00 0.00 C ATOM 519 CZ2 TRP A 37 0.705 -2.224 -6.443 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.541 -1.339 -6.489 1.00 0.00 C ATOM 521 CH2 TRP A 37 -0.152 -1.157 -6.476 1.00 0.00 C ATOM 0 H TRP A 37 -2.036 -4.567 -4.423 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.376 -4.520 -5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.613 -6.898 -6.219 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.225 -5.758 -7.401 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.028 -6.765 -6.360 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.757 -4.895 -6.373 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.168 -2.735 -6.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.776 -2.081 -6.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.189 -0.476 -6.514 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.251 -0.155 -6.492 1.00 0.00 H new ATOM 532 N LEU A 38 -4.091 -7.381 -4.190 1.00 0.00 N ATOM 533 CA LEU A 38 -4.854 -8.507 -3.663 1.00 0.00 C ATOM 534 C LEU A 38 -6.088 -8.024 -2.908 1.00 0.00 C ATOM 535 O LEU A 38 -7.198 -8.505 -3.137 1.00 0.00 O ATOM 536 CB LEU A 38 -3.977 -9.355 -2.740 1.00 0.00 C ATOM 537 CG LEU A 38 -2.959 -10.264 -3.430 1.00 0.00 C ATOM 538 CD1 LEU A 38 -3.667 -11.337 -4.243 1.00 0.00 C ATOM 539 CD2 LEU A 38 -2.029 -9.448 -4.316 1.00 0.00 C ATOM 0 H LEU A 38 -3.093 -7.413 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.182 -9.117 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.440 -8.687 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.627 -9.974 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.360 -10.754 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.927 -11.974 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.291 -11.941 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.292 -10.866 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.311 -10.111 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.613 -8.930 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.495 -8.717 -3.708 1.00 0.00 H new ATOM 551 N CYS A 39 -5.887 -7.067 -2.007 1.00 0.00 N ATOM 552 CA CYS A 39 -6.982 -6.516 -1.219 1.00 0.00 C ATOM 553 C CYS A 39 -8.024 -5.859 -2.120 1.00 0.00 C ATOM 554 O CYS A 39 -9.191 -6.249 -2.123 1.00 0.00 O ATOM 555 CB CYS A 39 -6.450 -5.497 -0.210 1.00 0.00 C ATOM 556 SG CYS A 39 -5.562 -6.239 1.197 1.00 0.00 S ATOM 0 H CYS A 39 -4.975 -6.657 -1.805 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.457 -7.336 -0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.782 -4.807 -0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.285 -4.908 0.170 1.00 0.00 H new ATOM 561 N GLU A 40 -7.592 -4.860 -2.883 1.00 0.00 N ATOM 562 CA GLU A 40 -8.488 -4.149 -3.788 1.00 0.00 C ATOM 563 C GLU A 40 -9.310 -5.128 -4.621 1.00 0.00 C ATOM 564 O GLU A 40 -10.510 -4.935 -4.820 1.00 0.00 O ATOM 565 CB GLU A 40 -7.690 -3.224 -4.709 1.00 0.00 C ATOM 566 CG GLU A 40 -8.520 -2.609 -5.823 1.00 0.00 C ATOM 567 CD GLU A 40 -7.689 -1.775 -6.778 1.00 0.00 C ATOM 568 OE1 GLU A 40 -6.512 -2.124 -7.002 1.00 0.00 O ATOM 569 OE2 GLU A 40 -8.218 -0.772 -7.303 1.00 0.00 O ATOM 0 H GLU A 40 -6.629 -4.525 -2.893 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.170 -3.550 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.248 -2.425 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.866 -3.786 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.019 -3.402 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.301 -1.986 -5.387 1.00 0.00 H new ATOM 576 N ARG A 41 -8.656 -6.179 -5.105 1.00 0.00 N ATOM 577 CA ARG A 41 -9.325 -7.187 -5.917 1.00 0.00 C ATOM 578 C ARG A 41 -10.097 -8.168 -5.040 1.00 0.00 C ATOM 579 O ARG A 41 -10.926 -8.935 -5.529 1.00 0.00 O ATOM 580 CB ARG A 41 -8.306 -7.944 -6.771 1.00 0.00 C ATOM 581 CG ARG A 41 -7.464 -8.932 -5.981 1.00 0.00 C ATOM 582 CD ARG A 41 -6.584 -9.770 -6.896 1.00 0.00 C ATOM 583 NE ARG A 41 -7.326 -10.866 -7.515 1.00 0.00 N ATOM 584 CZ ARG A 41 -6.979 -11.430 -8.667 1.00 0.00 C ATOM 585 NH1 ARG A 41 -5.907 -11.004 -9.321 1.00 0.00 N ATOM 586 NH2 ARG A 41 -7.704 -12.422 -9.166 1.00 0.00 N ATOM 0 H ARG A 41 -7.663 -6.354 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.032 -6.678 -6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.833 -8.479 -7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.647 -7.225 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.840 -8.392 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.116 -9.586 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.160 -9.134 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.749 -10.175 -6.325 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.156 -11.217 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.347 -10.242 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.643 -11.439 -10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.529 -12.753 -8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.437 -12.854 -10.050 1.00 0.00 H new ATOM 600 N SER A 42 -9.817 -8.138 -3.740 1.00 0.00 N ATOM 601 CA SER A 42 -10.482 -9.027 -2.795 1.00 0.00 C ATOM 602 C SER A 42 -11.898 -8.544 -2.497 1.00 0.00 C ATOM 603 O SER A 42 -12.122 -7.358 -2.258 1.00 0.00 O ATOM 604 CB SER A 42 -9.678 -9.118 -1.496 1.00 0.00 C ATOM 605 OG SER A 42 -10.187 -10.136 -0.652 1.00 0.00 O ATOM 0 H SER A 42 -9.135 -7.508 -3.318 1.00 0.00 H new ATOM 0 HA SER A 42 -10.543 -10.017 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.632 -9.321 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.711 -8.160 -0.976 1.00 0.00 H new ATOM 0 HG SER A 42 -9.655 -10.175 0.170 1.00 0.00 H new ATOM 611 N GLN A 43 -12.849 -9.472 -2.514 1.00 0.00 N ATOM 612 CA GLN A 43 -14.244 -9.140 -2.247 1.00 0.00 C ATOM 613 C GLN A 43 -14.364 -8.237 -1.024 1.00 0.00 C ATOM 614 O GLN A 43 -15.367 -7.546 -0.848 1.00 0.00 O ATOM 615 CB GLN A 43 -15.062 -10.416 -2.036 1.00 0.00 C ATOM 616 CG GLN A 43 -16.563 -10.199 -2.137 1.00 0.00 C ATOM 617 CD GLN A 43 -17.357 -11.444 -1.791 1.00 0.00 C ATOM 618 OE1 GLN A 43 -17.109 -12.522 -2.332 1.00 0.00 O ATOM 619 NE2 GLN A 43 -18.317 -11.301 -0.885 1.00 0.00 N ATOM 0 H GLN A 43 -12.680 -10.459 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.636 -8.604 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.760 -11.158 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.828 -10.830 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.855 -9.389 -1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -16.813 -9.883 -3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -18.488 -10.388 -0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.884 -12.104 -0.612 1.00 0.00 H new ATOM 628 N GLU A 44 -13.335 -8.249 -0.182 1.00 0.00 N ATOM 629 CA GLU A 44 -13.328 -7.431 1.025 1.00 0.00 C ATOM 630 C GLU A 44 -13.230 -5.948 0.677 1.00 0.00 C ATOM 631 O GLU A 44 -13.957 -5.121 1.227 1.00 0.00 O ATOM 632 CB GLU A 44 -12.161 -7.831 1.931 1.00 0.00 C ATOM 633 CG GLU A 44 -12.402 -7.530 3.401 1.00 0.00 C ATOM 634 CD GLU A 44 -13.046 -6.175 3.621 1.00 0.00 C ATOM 635 OE1 GLU A 44 -12.487 -5.167 3.142 1.00 0.00 O ATOM 636 OE2 GLU A 44 -14.110 -6.124 4.274 1.00 0.00 O ATOM 0 H GLU A 44 -12.497 -8.815 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.266 -7.601 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.970 -8.898 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.262 -7.308 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.040 -8.305 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.453 -7.568 3.936 1.00 0.00 H new ATOM 643 N HIS A 45 -12.326 -5.620 -0.240 1.00 0.00 N ATOM 644 CA HIS A 45 -12.132 -4.237 -0.662 1.00 0.00 C ATOM 645 C HIS A 45 -12.493 -4.063 -2.135 1.00 0.00 C ATOM 646 O HIS A 45 -12.103 -3.082 -2.767 1.00 0.00 O ATOM 647 CB HIS A 45 -10.684 -3.808 -0.426 1.00 0.00 C ATOM 648 CG HIS A 45 -10.367 -3.536 1.012 1.00 0.00 C ATOM 649 ND1 HIS A 45 -10.819 -2.420 1.685 1.00 0.00 N ATOM 650 CD2 HIS A 45 -9.639 -4.243 1.907 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.381 -2.452 2.931 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.663 -3.549 3.092 1.00 0.00 N ATOM 0 H HIS A 45 -11.716 -6.292 -0.705 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.792 -3.605 -0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.018 -4.588 -0.795 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.480 -2.911 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.133 -5.179 1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.577 -1.708 3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.202 -3.834 3.956 1.00 0.00 H new ATOM 660 N ARG A 46 -13.239 -5.022 -2.673 1.00 0.00 N ATOM 661 CA ARG A 46 -13.651 -4.975 -4.071 1.00 0.00 C ATOM 662 C ARG A 46 -14.712 -3.900 -4.290 1.00 0.00 C ATOM 663 O ARG A 46 -15.594 -3.706 -3.455 1.00 0.00 O ATOM 664 CB ARG A 46 -14.191 -6.337 -4.511 1.00 0.00 C ATOM 665 CG ARG A 46 -15.686 -6.500 -4.287 1.00 0.00 C ATOM 666 CD ARG A 46 -16.485 -6.028 -5.491 1.00 0.00 C ATOM 667 NE ARG A 46 -16.150 -6.778 -6.699 1.00 0.00 N ATOM 668 CZ ARG A 46 -16.709 -7.939 -7.022 1.00 0.00 C ATOM 669 NH1 ARG A 46 -17.626 -8.479 -6.232 1.00 0.00 N ATOM 670 NH2 ARG A 46 -16.351 -8.561 -8.138 1.00 0.00 N ATOM 0 H ARG A 46 -13.570 -5.841 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.777 -4.726 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.973 -6.480 -5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.663 -7.121 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.913 -7.547 -4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.987 -5.934 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -17.550 -6.133 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.296 -4.968 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.448 -6.389 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.904 -8.003 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.054 -9.371 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.646 -8.148 -8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.781 -9.452 -8.385 1.00 0.00 H new ATOM 684 N GLY A 47 -14.617 -3.204 -5.419 1.00 0.00 N ATOM 685 CA GLY A 47 -15.574 -2.157 -5.726 1.00 0.00 C ATOM 686 C GLY A 47 -15.239 -0.846 -5.043 1.00 0.00 C ATOM 687 O GLY A 47 -15.640 0.223 -5.503 1.00 0.00 O ATOM 0 H GLY A 47 -13.895 -3.346 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.606 -2.003 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.570 -2.478 -5.420 1.00 0.00 H new ATOM 691 N HIS A 48 -14.502 -0.927 -3.940 1.00 0.00 N ATOM 692 CA HIS A 48 -14.114 0.263 -3.190 1.00 0.00 C ATOM 693 C HIS A 48 -13.227 1.172 -4.036 1.00 0.00 C ATOM 694 O HIS A 48 -12.374 0.700 -4.788 1.00 0.00 O ATOM 695 CB HIS A 48 -13.382 -0.133 -1.907 1.00 0.00 C ATOM 696 CG HIS A 48 -14.159 -1.075 -1.040 1.00 0.00 C ATOM 697 ND1 HIS A 48 -13.698 -1.532 0.176 1.00 0.00 N ATOM 698 CD2 HIS A 48 -15.374 -1.644 -1.219 1.00 0.00 C ATOM 699 CE1 HIS A 48 -14.595 -2.343 0.707 1.00 0.00 C ATOM 700 NE2 HIS A 48 -15.622 -2.428 -0.119 1.00 0.00 N ATOM 0 H HIS A 48 -14.161 -1.804 -3.545 1.00 0.00 H new ATOM 0 HA HIS A 48 -15.020 0.809 -2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -12.430 -0.595 -2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -13.153 0.767 -1.337 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -16.027 -1.507 -2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.504 -2.851 1.656 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.462 -2.985 0.035 1.00 0.00 H new ATOM 708 N HIS A 49 -13.436 2.479 -3.908 1.00 0.00 N ATOM 709 CA HIS A 49 -12.655 3.455 -4.661 1.00 0.00 C ATOM 710 C HIS A 49 -11.306 3.702 -3.994 1.00 0.00 C ATOM 711 O HIS A 49 -11.239 4.192 -2.865 1.00 0.00 O ATOM 712 CB HIS A 49 -13.426 4.770 -4.784 1.00 0.00 C ATOM 713 CG HIS A 49 -14.352 4.813 -5.960 1.00 0.00 C ATOM 714 ND1 HIS A 49 -14.797 5.990 -6.524 1.00 0.00 N ATOM 715 CD2 HIS A 49 -14.916 3.816 -6.680 1.00 0.00 C ATOM 716 CE1 HIS A 49 -15.596 5.715 -7.539 1.00 0.00 C ATOM 717 NE2 HIS A 49 -15.685 4.402 -7.656 1.00 0.00 N ATOM 0 H HIS A 49 -14.139 2.886 -3.291 1.00 0.00 H new ATOM 0 HA HIS A 49 -12.478 3.052 -5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -14.002 4.931 -3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -12.715 5.593 -4.861 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -14.786 2.756 -6.518 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -16.092 6.440 -8.167 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -16.235 3.905 -8.357 1.00 0.00 H new ATOM 726 N THR A 50 -10.231 3.361 -4.698 1.00 0.00 N ATOM 727 CA THR A 50 -8.884 3.544 -4.174 1.00 0.00 C ATOM 728 C THR A 50 -8.071 4.481 -5.061 1.00 0.00 C ATOM 729 O THR A 50 -8.299 4.562 -6.268 1.00 0.00 O ATOM 730 CB THR A 50 -8.142 2.200 -4.049 1.00 0.00 C ATOM 731 OG1 THR A 50 -8.087 1.551 -5.325 1.00 0.00 O ATOM 732 CG2 THR A 50 -8.831 1.293 -3.042 1.00 0.00 C ATOM 0 H THR A 50 -10.268 2.956 -5.634 1.00 0.00 H new ATOM 0 HA THR A 50 -8.988 3.986 -3.183 1.00 0.00 H new ATOM 0 HB THR A 50 -7.129 2.400 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.613 0.698 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.289 0.350 -2.971 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.845 1.778 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.854 1.100 -3.366 1.00 0.00 H new ATOM 740 N PHE A 51 -7.121 5.186 -4.455 1.00 0.00 N ATOM 741 CA PHE A 51 -6.274 6.117 -5.191 1.00 0.00 C ATOM 742 C PHE A 51 -4.808 5.938 -4.808 1.00 0.00 C ATOM 743 O PHE A 51 -4.474 5.592 -3.675 1.00 0.00 O ATOM 744 CB PHE A 51 -6.711 7.559 -4.921 1.00 0.00 C ATOM 745 CG PHE A 51 -8.184 7.784 -5.107 1.00 0.00 C ATOM 746 CD1 PHE A 51 -9.100 7.220 -4.234 1.00 0.00 C ATOM 747 CD2 PHE A 51 -8.653 8.559 -6.156 1.00 0.00 C ATOM 748 CE1 PHE A 51 -10.457 7.426 -4.402 1.00 0.00 C ATOM 749 CE2 PHE A 51 -10.008 8.768 -6.329 1.00 0.00 C ATOM 750 CZ PHE A 51 -10.911 8.200 -5.452 1.00 0.00 C ATOM 0 H PHE A 51 -6.919 5.130 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.382 5.905 -6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.436 7.828 -3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.163 8.227 -5.586 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.750 6.612 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.952 9.005 -6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.161 6.982 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -10.361 9.375 -7.150 1.00 0.00 H new ATOM 0 HZ PHE A 51 -11.970 8.361 -5.587 1.00 0.00 H new ATOM 760 N PRO A 52 -3.911 6.177 -5.776 1.00 0.00 N ATOM 761 CA PRO A 52 -2.466 6.049 -5.566 1.00 0.00 C ATOM 762 C PRO A 52 -1.915 7.136 -4.650 1.00 0.00 C ATOM 763 O PRO A 52 -1.341 8.122 -5.115 1.00 0.00 O ATOM 764 CB PRO A 52 -1.888 6.193 -6.976 1.00 0.00 C ATOM 765 CG PRO A 52 -2.904 6.985 -7.723 1.00 0.00 C ATOM 766 CD PRO A 52 -4.238 6.593 -7.151 1.00 0.00 C ATOM 0 HA PRO A 52 -2.207 5.109 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.924 6.702 -6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.726 5.219 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.728 8.054 -7.606 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.859 6.770 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.941 7.426 -7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.696 5.782 -7.718 1.00 0.00 H new ATOM 774 N THR A 53 -2.092 6.951 -3.346 1.00 0.00 N ATOM 775 CA THR A 53 -1.612 7.917 -2.365 1.00 0.00 C ATOM 776 C THR A 53 -0.096 8.060 -2.430 1.00 0.00 C ATOM 777 O THR A 53 0.438 9.164 -2.321 1.00 0.00 O ATOM 778 CB THR A 53 -2.018 7.514 -0.935 1.00 0.00 C ATOM 779 OG1 THR A 53 -1.519 8.472 0.005 1.00 0.00 O ATOM 780 CG2 THR A 53 -1.482 6.132 -0.590 1.00 0.00 C ATOM 0 H THR A 53 -2.564 6.141 -2.944 1.00 0.00 H new ATOM 0 HA THR A 53 -2.075 8.873 -2.610 1.00 0.00 H new ATOM 0 HB THR A 53 -3.106 7.488 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.783 8.209 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.781 5.869 0.425 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.886 5.400 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.394 6.136 -0.658 1.00 0.00 H new ATOM 788 N SER A 54 0.593 6.938 -2.609 1.00 0.00 N ATOM 789 CA SER A 54 2.049 6.938 -2.685 1.00 0.00 C ATOM 790 C SER A 54 2.529 6.172 -3.914 1.00 0.00 C ATOM 791 O SER A 54 1.730 5.594 -4.650 1.00 0.00 O ATOM 792 CB SER A 54 2.647 6.322 -1.419 1.00 0.00 C ATOM 793 OG SER A 54 2.664 7.257 -0.355 1.00 0.00 O ATOM 0 H SER A 54 0.166 6.017 -2.704 1.00 0.00 H new ATOM 0 HA SER A 54 2.384 7.972 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.067 5.446 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.662 5.979 -1.622 1.00 0.00 H new ATOM 0 HG SER A 54 3.049 6.838 0.443 1.00 0.00 H new ATOM 799 N GLY A 55 3.841 6.171 -4.128 1.00 0.00 N ATOM 800 CA GLY A 55 4.406 5.473 -5.268 1.00 0.00 C ATOM 801 C GLY A 55 4.682 6.399 -6.437 1.00 0.00 C ATOM 802 O GLY A 55 3.800 6.693 -7.244 1.00 0.00 O ATOM 0 H GLY A 55 4.523 6.641 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.333 4.985 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.721 4.687 -5.585 1.00 0.00 H new ATOM 806 N PRO A 56 5.931 6.876 -6.537 1.00 0.00 N ATOM 807 CA PRO A 56 6.349 7.782 -7.611 1.00 0.00 C ATOM 808 C PRO A 56 6.401 7.088 -8.967 1.00 0.00 C ATOM 809 O PRO A 56 5.980 7.649 -9.979 1.00 0.00 O ATOM 810 CB PRO A 56 7.751 8.219 -7.180 1.00 0.00 C ATOM 811 CG PRO A 56 8.244 7.113 -6.314 1.00 0.00 C ATOM 812 CD PRO A 56 7.033 6.567 -5.609 1.00 0.00 C ATOM 0 HA PRO A 56 5.651 8.609 -7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.402 8.367 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.722 9.164 -6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.731 6.340 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.981 7.477 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.120 5.495 -5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.886 7.040 -4.638 1.00 0.00 H new ATOM 820 N SER A 57 6.919 5.864 -8.981 1.00 0.00 N ATOM 821 CA SER A 57 7.029 5.094 -10.215 1.00 0.00 C ATOM 822 C SER A 57 5.859 4.125 -10.356 1.00 0.00 C ATOM 823 O SER A 57 5.226 3.750 -9.369 1.00 0.00 O ATOM 824 CB SER A 57 8.350 4.324 -10.245 1.00 0.00 C ATOM 825 OG SER A 57 8.301 3.195 -9.390 1.00 0.00 O ATOM 0 H SER A 57 7.269 5.384 -8.152 1.00 0.00 H new ATOM 0 HA SER A 57 7.004 5.791 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.565 4.003 -11.264 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.165 4.981 -9.939 1.00 0.00 H new ATOM 0 HG SER A 57 9.156 2.718 -9.428 1.00 0.00 H new ATOM 831 N SER A 58 5.577 3.723 -11.592 1.00 0.00 N ATOM 832 CA SER A 58 4.481 2.801 -11.865 1.00 0.00 C ATOM 833 C SER A 58 4.896 1.753 -12.893 1.00 0.00 C ATOM 834 O SER A 58 6.008 1.789 -13.419 1.00 0.00 O ATOM 835 CB SER A 58 3.255 3.567 -12.366 1.00 0.00 C ATOM 836 OG SER A 58 3.526 4.214 -13.598 1.00 0.00 O ATOM 0 H SER A 58 6.093 4.022 -12.420 1.00 0.00 H new ATOM 0 HA SER A 58 4.227 2.292 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.418 2.880 -12.489 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.955 4.305 -11.622 1.00 0.00 H new ATOM 0 HG SER A 58 2.726 4.695 -13.898 1.00 0.00 H new ATOM 842 N GLY A 59 3.993 0.819 -13.174 1.00 0.00 N ATOM 843 CA GLY A 59 4.283 -0.227 -14.138 1.00 0.00 C ATOM 844 C GLY A 59 3.189 -0.377 -15.177 1.00 0.00 C ATOM 845 O GLY A 59 2.024 -0.148 -14.857 1.00 0.00 O ATOM 0 H GLY A 59 3.066 0.768 -12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.226 -0.005 -14.637 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.414 -1.174 -13.614 1.00 0.00 H new TER 849 GLY A 59 HETATM 850 ZN ZN A 201 -3.422 -7.172 0.962 1.00 0.00 ZN HETATM 851 ZN ZN A 401 -12.036 -0.806 1.155 1.00 0.00 ZN