USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 53 HIS HD1 : A 53 HIS ND1 : A 89 ZNZN :(H bumps) USER MOD Set 1.1: A 6 THR OG1 : rot 180:sc= 0.00394 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.86) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.736 K(o=1.4,f=-0.89) USER MOD Set 2.2: A 39 SER OG : rot 110:sc= 0.62 USER MOD Single : A 1 ALA N :NH3+ -138:sc= 1.41 (180deg=-0.279) USER MOD Single : A 3 THR OG1 : rot 140:sc= -0.109 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.803 (180deg=-1.05) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00914 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -111:sc= 0.622 USER MOD Single : A 37 GLN : amide:sc= 0.0892 X(o=0.089,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00754 X(o=-0.0075,f=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc=-0.00523 K(o=-0.0052,f=-1.6!) USER MOD Single : A 54 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 74 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.57) USER MOD Single : A 75 SER OG : rot 81:sc= 0.0488 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.621 -2.548 9.307 1.00 0.00 N ATOM 2 CA ALA A 1 -1.784 -2.452 8.078 1.00 0.00 C ATOM 3 C ALA A 1 -1.674 -1.008 7.590 1.00 0.00 C ATOM 4 O ALA A 1 -2.637 -0.242 7.664 1.00 0.00 O ATOM 5 CB ALA A 1 -2.351 -3.338 6.977 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.177 -3.207 9.979 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.702 -1.609 9.746 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.568 -2.896 9.056 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.782 -2.799 8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.728 -3.256 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.366 -4.374 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.366 -3.019 6.740 1.00 0.00 H new ATOM 13 N ARG A 2 -0.490 -0.646 7.087 1.00 0.00 N ATOM 14 CA ARG A 2 -0.248 0.706 6.582 1.00 0.00 C ATOM 15 C ARG A 2 -0.925 0.901 5.228 1.00 0.00 C ATOM 16 O ARG A 2 -0.546 0.271 4.238 1.00 0.00 O ATOM 17 CB ARG A 2 1.257 0.979 6.452 1.00 0.00 C ATOM 18 CG ARG A 2 1.974 1.155 7.784 1.00 0.00 C ATOM 19 CD ARG A 2 2.364 -0.182 8.397 1.00 0.00 C ATOM 20 NE ARG A 2 3.815 -0.334 8.511 1.00 0.00 N ATOM 21 CZ ARG A 2 4.609 -0.737 7.514 1.00 0.00 C ATOM 22 NH1 ARG A 2 4.108 -1.015 6.316 1.00 0.00 N ATOM 23 NH2 ARG A 2 5.914 -0.870 7.721 1.00 0.00 N ATOM 0 H ARG A 2 0.314 -1.270 7.019 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.672 1.411 7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.719 0.155 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.402 1.877 5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.867 1.762 7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.329 1.697 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.912 -0.273 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.962 -0.991 7.787 1.00 0.00 H new ATOM 0 HE ARG A 2 4.248 -0.119 9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.106 -0.922 6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.725 -1.322 5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.308 -0.665 8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.522 -1.177 6.962 1.00 0.00 H new ATOM 37 N THR A 3 -1.933 1.772 5.193 1.00 0.00 N ATOM 38 CA THR A 3 -2.671 2.047 3.963 1.00 0.00 C ATOM 39 C THR A 3 -2.607 3.532 3.606 1.00 0.00 C ATOM 40 O THR A 3 -3.008 4.386 4.399 1.00 0.00 O ATOM 41 CB THR A 3 -4.137 1.606 4.109 1.00 0.00 C ATOM 42 OG1 THR A 3 -4.244 0.450 4.928 1.00 0.00 O ATOM 43 CG2 THR A 3 -4.807 1.291 2.788 1.00 0.00 C ATOM 0 H THR A 3 -2.257 2.299 6.004 1.00 0.00 H new ATOM 0 HA THR A 3 -2.206 1.479 3.157 1.00 0.00 H new ATOM 0 HB THR A 3 -4.642 2.459 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 3 -5.026 0.534 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.838 0.987 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.795 2.177 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.271 0.482 2.292 1.00 0.00 H new ATOM 51 N LYS A 4 -2.107 3.829 2.406 1.00 0.00 N ATOM 52 CA LYS A 4 -2.000 5.210 1.935 1.00 0.00 C ATOM 53 C LYS A 4 -3.020 5.470 0.828 1.00 0.00 C ATOM 54 O LYS A 4 -3.125 4.691 -0.120 1.00 0.00 O ATOM 55 CB LYS A 4 -0.582 5.501 1.430 1.00 0.00 C ATOM 56 CG LYS A 4 0.263 6.300 2.412 1.00 0.00 C ATOM 57 CD LYS A 4 1.641 6.611 1.842 1.00 0.00 C ATOM 58 CE LYS A 4 2.246 7.853 2.485 1.00 0.00 C ATOM 59 NZ LYS A 4 3.415 8.372 1.718 1.00 0.00 N ATOM 0 H LYS A 4 -1.770 3.132 1.743 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.210 5.877 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.081 4.557 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.646 6.048 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.248 7.231 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.371 5.739 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.302 5.759 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.565 6.758 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.486 8.631 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.557 7.618 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.656 9.325 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.229 7.739 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.176 8.413 0.707 1.00 0.00 H new ATOM 73 N GLN A 5 -3.777 6.560 0.959 1.00 0.00 N ATOM 74 CA GLN A 5 -4.802 6.907 -0.025 1.00 0.00 C ATOM 75 C GLN A 5 -4.391 8.121 -0.859 1.00 0.00 C ATOM 76 O GLN A 5 -3.827 9.085 -0.337 1.00 0.00 O ATOM 77 CB GLN A 5 -6.134 7.183 0.682 1.00 0.00 C ATOM 78 CG GLN A 5 -7.329 7.264 -0.259 1.00 0.00 C ATOM 79 CD GLN A 5 -8.593 7.758 0.429 1.00 0.00 C ATOM 80 OE1 GLN A 5 -8.540 8.327 1.520 1.00 0.00 O ATOM 81 NE2 GLN A 5 -9.740 7.544 -0.208 1.00 0.00 N ATOM 0 H GLN A 5 -3.700 7.217 1.736 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.918 6.060 -0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.314 6.397 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.054 8.120 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.088 7.931 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.516 6.279 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.741 7.069 -1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.619 7.855 0.206 1.00 0.00 H new ATOM 90 N THR A 6 -4.681 8.059 -2.160 1.00 0.00 N ATOM 91 CA THR A 6 -4.347 9.144 -3.081 1.00 0.00 C ATOM 92 C THR A 6 -5.489 9.396 -4.068 1.00 0.00 C ATOM 93 O THR A 6 -6.085 8.453 -4.593 1.00 0.00 O ATOM 94 CB THR A 6 -3.052 8.818 -3.841 1.00 0.00 C ATOM 95 OG1 THR A 6 -3.260 7.768 -4.773 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.911 8.402 -2.934 1.00 0.00 C ATOM 0 H THR A 6 -5.148 7.266 -2.599 1.00 0.00 H new ATOM 0 HA THR A 6 -4.195 10.051 -2.496 1.00 0.00 H new ATOM 0 HB THR A 6 -2.779 9.745 -4.345 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.422 7.579 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.028 8.186 -3.536 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.687 9.210 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.196 7.510 -2.376 1.00 0.00 H new ATOM 104 N ALA A 7 -5.786 10.674 -4.318 1.00 0.00 N ATOM 105 CA ALA A 7 -6.853 11.051 -5.242 1.00 0.00 C ATOM 106 C ALA A 7 -6.302 11.820 -6.444 1.00 0.00 C ATOM 107 O ALA A 7 -5.452 12.701 -6.294 1.00 0.00 O ATOM 108 CB ALA A 7 -7.911 11.877 -4.520 1.00 0.00 C ATOM 0 H ALA A 7 -5.301 11.464 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.314 10.136 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.700 12.151 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.337 11.291 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.454 12.781 -4.117 1.00 0.00 H new ATOM 114 N ARG A 8 -6.793 11.474 -7.636 1.00 0.00 N ATOM 115 CA ARG A 8 -6.358 12.125 -8.873 1.00 0.00 C ATOM 116 C ARG A 8 -7.194 13.372 -9.165 1.00 0.00 C ATOM 117 O ARG A 8 -8.373 13.437 -8.814 1.00 0.00 O ATOM 118 CB ARG A 8 -6.444 11.150 -10.055 1.00 0.00 C ATOM 119 CG ARG A 8 -7.842 10.598 -10.302 1.00 0.00 C ATOM 120 CD ARG A 8 -8.476 11.212 -11.543 1.00 0.00 C ATOM 121 NE ARG A 8 -8.744 10.213 -12.578 1.00 0.00 N ATOM 122 CZ ARG A 8 -9.609 10.389 -13.582 1.00 0.00 C ATOM 123 NH1 ARG A 8 -10.288 11.529 -13.699 1.00 0.00 N ATOM 124 NH2 ARG A 8 -9.793 9.422 -14.475 1.00 0.00 N ATOM 0 H ARG A 8 -7.494 10.745 -7.771 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.320 12.430 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.100 11.657 -10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.762 10.318 -9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.791 9.515 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.471 10.798 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.408 11.705 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.815 11.980 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.240 9.328 -12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.150 12.277 -13.019 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.946 11.654 -14.468 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.275 8.547 -14.394 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.453 9.555 -15.242 1.00 0.00 H new ATOM 138 N LYS A 9 -6.572 14.358 -9.813 1.00 0.00 N ATOM 139 CA LYS A 9 -7.250 15.608 -10.158 1.00 0.00 C ATOM 140 C LYS A 9 -6.447 16.396 -11.194 1.00 0.00 C ATOM 141 O LYS A 9 -5.215 16.379 -11.175 1.00 0.00 O ATOM 142 CB LYS A 9 -7.459 16.463 -8.903 1.00 0.00 C ATOM 143 CG LYS A 9 -8.278 17.723 -9.146 1.00 0.00 C ATOM 144 CD LYS A 9 -9.505 17.771 -8.251 1.00 0.00 C ATOM 145 CE LYS A 9 -10.509 18.804 -8.738 1.00 0.00 C ATOM 146 NZ LYS A 9 -11.447 19.222 -7.658 1.00 0.00 N ATOM 0 H LYS A 9 -5.597 14.315 -10.110 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.220 15.359 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.955 15.860 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.486 16.745 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.659 18.601 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.587 17.762 -10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.976 16.788 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.204 18.008 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.977 19.678 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.077 18.393 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.115 19.927 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.974 18.393 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.908 19.638 -6.872 1.00 0.00 H new ATOM 160 N SER A 10 -7.152 17.091 -12.089 1.00 0.00 N ATOM 161 CA SER A 10 -6.503 17.896 -13.126 1.00 0.00 C ATOM 162 C SER A 10 -5.589 18.950 -12.501 1.00 0.00 C ATOM 163 O SER A 10 -4.460 19.146 -12.952 1.00 0.00 O ATOM 164 CB SER A 10 -7.551 18.575 -14.013 1.00 0.00 C ATOM 165 OG SER A 10 -7.918 17.742 -15.099 1.00 0.00 O ATOM 0 H SER A 10 -8.171 17.113 -12.117 1.00 0.00 H new ATOM 0 HA SER A 10 -5.898 17.230 -13.741 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.434 18.814 -13.420 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.156 19.518 -14.391 1.00 0.00 H new ATOM 0 HG SER A 10 -8.589 18.198 -15.649 1.00 0.00 H new ATOM 171 N THR A 11 -6.083 19.618 -11.457 1.00 0.00 N ATOM 172 CA THR A 11 -5.311 20.645 -10.763 1.00 0.00 C ATOM 173 C THR A 11 -5.664 20.667 -9.275 1.00 0.00 C ATOM 174 O THR A 11 -6.526 21.435 -8.840 1.00 0.00 O ATOM 175 CB THR A 11 -5.557 22.023 -11.391 1.00 0.00 C ATOM 176 OG1 THR A 11 -5.313 21.994 -12.788 1.00 0.00 O ATOM 177 CG2 THR A 11 -4.689 23.114 -10.800 1.00 0.00 C ATOM 0 H THR A 11 -7.016 19.464 -11.075 1.00 0.00 H new ATOM 0 HA THR A 11 -4.253 20.404 -10.865 1.00 0.00 H new ATOM 0 HB THR A 11 -6.601 22.251 -11.177 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.478 22.882 -13.167 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.913 24.062 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.889 23.200 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.639 22.866 -10.953 1.00 0.00 H new ATOM 185 N GLY A 12 -4.992 19.816 -8.502 1.00 0.00 N ATOM 186 CA GLY A 12 -5.242 19.746 -7.073 1.00 0.00 C ATOM 187 C GLY A 12 -4.168 20.441 -6.259 1.00 0.00 C ATOM 188 O GLY A 12 -3.746 21.549 -6.595 1.00 0.00 O ATOM 0 H GLY A 12 -4.277 19.173 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.209 20.199 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.304 18.701 -6.769 1.00 0.00 H new ATOM 192 N GLY A 13 -3.725 19.784 -5.187 1.00 0.00 N ATOM 193 CA GLY A 13 -2.696 20.350 -4.334 1.00 0.00 C ATOM 194 C GLY A 13 -1.302 20.092 -4.869 1.00 0.00 C ATOM 195 O GLY A 13 -0.621 19.170 -4.419 1.00 0.00 O ATOM 0 H GLY A 13 -4.063 18.867 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.854 21.424 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.783 19.927 -3.333 1.00 0.00 H new ATOM 199 N SER A 14 -0.880 20.907 -5.833 1.00 0.00 N ATOM 200 CA SER A 14 0.441 20.763 -6.436 1.00 0.00 C ATOM 201 C SER A 14 0.947 22.098 -6.981 1.00 0.00 C ATOM 202 O SER A 14 0.368 23.150 -6.706 1.00 0.00 O ATOM 203 CB SER A 14 0.400 19.714 -7.553 1.00 0.00 C ATOM 204 OG SER A 14 1.606 18.970 -7.595 1.00 0.00 O ATOM 0 H SER A 14 -1.435 21.674 -6.213 1.00 0.00 H new ATOM 0 HA SER A 14 1.133 20.431 -5.662 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.442 19.040 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.238 20.205 -8.512 1.00 0.00 H new ATOM 0 HG SER A 14 1.556 18.306 -8.314 1.00 0.00 H new ATOM 210 N SER A 15 2.037 22.045 -7.750 1.00 0.00 N ATOM 211 CA SER A 15 2.637 23.245 -8.335 1.00 0.00 C ATOM 212 C SER A 15 3.080 24.224 -7.243 1.00 0.00 C ATOM 213 O SER A 15 2.845 25.431 -7.341 1.00 0.00 O ATOM 214 CB SER A 15 1.648 23.923 -9.291 1.00 0.00 C ATOM 215 OG SER A 15 2.309 24.416 -10.444 1.00 0.00 O ATOM 0 H SER A 15 2.524 21.179 -7.983 1.00 0.00 H new ATOM 0 HA SER A 15 3.520 22.944 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.877 23.211 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.145 24.743 -8.778 1.00 0.00 H new ATOM 0 HG SER A 15 1.656 24.842 -11.038 1.00 0.00 H new ATOM 221 N GLY A 16 3.723 23.693 -6.201 1.00 0.00 N ATOM 222 CA GLY A 16 4.186 24.525 -5.105 1.00 0.00 C ATOM 223 C GLY A 16 3.345 24.350 -3.853 1.00 0.00 C ATOM 224 O GLY A 16 3.815 23.786 -2.863 1.00 0.00 O ATOM 0 H GLY A 16 3.930 22.699 -6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.224 24.281 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.164 25.571 -5.411 1.00 0.00 H new ATOM 228 N SER A 17 2.099 24.838 -3.900 1.00 0.00 N ATOM 229 CA SER A 17 1.173 24.743 -2.768 1.00 0.00 C ATOM 230 C SER A 17 1.653 25.602 -1.594 1.00 0.00 C ATOM 231 O SER A 17 1.097 26.670 -1.331 1.00 0.00 O ATOM 232 CB SER A 17 0.995 23.280 -2.335 1.00 0.00 C ATOM 233 OG SER A 17 -0.364 22.884 -2.410 1.00 0.00 O ATOM 0 H SER A 17 1.708 25.306 -4.718 1.00 0.00 H new ATOM 0 HA SER A 17 0.204 25.125 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.600 22.634 -2.971 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.357 23.153 -1.315 1.00 0.00 H new ATOM 0 HG SER A 17 -0.448 21.948 -2.131 1.00 0.00 H new ATOM 239 N SER A 18 2.691 25.132 -0.899 1.00 0.00 N ATOM 240 CA SER A 18 3.259 25.855 0.241 1.00 0.00 C ATOM 241 C SER A 18 4.769 26.086 0.063 1.00 0.00 C ATOM 242 O SER A 18 5.462 26.440 1.019 1.00 0.00 O ATOM 243 CB SER A 18 3.003 25.081 1.542 1.00 0.00 C ATOM 244 OG SER A 18 1.756 24.402 1.507 1.00 0.00 O ATOM 0 H SER A 18 3.157 24.249 -1.107 1.00 0.00 H new ATOM 0 HA SER A 18 2.769 26.827 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.806 24.361 1.702 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.019 25.770 2.386 1.00 0.00 H new ATOM 0 HG SER A 18 1.624 23.918 2.349 1.00 0.00 H new ATOM 250 N GLN A 19 5.274 25.883 -1.163 1.00 0.00 N ATOM 251 CA GLN A 19 6.698 26.067 -1.462 1.00 0.00 C ATOM 252 C GLN A 19 7.581 25.238 -0.519 1.00 0.00 C ATOM 253 O GLN A 19 8.717 25.617 -0.223 1.00 0.00 O ATOM 254 CB GLN A 19 7.065 27.553 -1.376 1.00 0.00 C ATOM 255 CG GLN A 19 6.606 28.363 -2.580 1.00 0.00 C ATOM 256 CD GLN A 19 5.095 28.516 -2.643 1.00 0.00 C ATOM 257 OE1 GLN A 19 4.461 28.114 -3.619 1.00 0.00 O ATOM 258 NE2 GLN A 19 4.509 29.098 -1.601 1.00 0.00 N ATOM 0 H GLN A 19 4.714 25.591 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 19 6.879 25.714 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.624 27.976 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.146 27.647 -1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.066 29.351 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.957 27.880 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.071 29.417 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.497 29.226 -1.591 1.00 0.00 H new ATOM 267 N SER A 20 7.052 24.101 -0.053 1.00 0.00 N ATOM 268 CA SER A 20 7.785 23.218 0.853 1.00 0.00 C ATOM 269 C SER A 20 7.016 21.916 1.083 1.00 0.00 C ATOM 270 O SER A 20 6.037 21.886 1.831 1.00 0.00 O ATOM 271 CB SER A 20 8.039 23.919 2.192 1.00 0.00 C ATOM 272 OG SER A 20 8.993 23.211 2.966 1.00 0.00 O ATOM 0 H SER A 20 6.116 23.773 -0.291 1.00 0.00 H new ATOM 0 HA SER A 20 8.743 22.978 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.393 24.934 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.104 24.000 2.747 1.00 0.00 H new ATOM 0 HG SER A 20 9.139 23.680 3.814 1.00 0.00 H new ATOM 278 N LEU A 21 7.465 20.844 0.429 1.00 0.00 N ATOM 279 CA LEU A 21 6.822 19.538 0.556 1.00 0.00 C ATOM 280 C LEU A 21 7.858 18.417 0.576 1.00 0.00 C ATOM 281 O LEU A 21 8.757 18.378 -0.266 1.00 0.00 O ATOM 282 CB LEU A 21 5.839 19.316 -0.596 1.00 0.00 C ATOM 283 CG LEU A 21 4.465 19.965 -0.412 1.00 0.00 C ATOM 284 CD1 LEU A 21 4.386 21.283 -1.169 1.00 0.00 C ATOM 285 CD2 LEU A 21 3.369 19.017 -0.872 1.00 0.00 C ATOM 0 H LEU A 21 8.272 20.856 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 21 6.278 19.522 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.285 19.701 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.701 18.244 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 21 4.321 20.174 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.401 21.727 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.150 21.964 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.550 21.103 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.397 19.491 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.512 18.779 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.411 18.100 -0.284 1.00 0.00 H new ATOM 297 N ILE A 22 7.719 17.509 1.542 1.00 0.00 N ATOM 298 CA ILE A 22 8.638 16.379 1.678 1.00 0.00 C ATOM 299 C ILE A 22 7.886 15.096 2.051 1.00 0.00 C ATOM 300 O ILE A 22 7.457 14.923 3.193 1.00 0.00 O ATOM 301 CB ILE A 22 9.742 16.664 2.730 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.134 17.163 4.049 1.00 0.00 C ATOM 303 CG2 ILE A 22 10.739 17.681 2.186 1.00 0.00 C ATOM 304 CD1 ILE A 22 9.273 16.178 5.191 1.00 0.00 C ATOM 0 H ILE A 22 6.978 17.534 2.243 1.00 0.00 H new ATOM 0 HA ILE A 22 9.115 16.239 0.708 1.00 0.00 H new ATOM 0 HB ILE A 22 10.266 15.730 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.614 18.101 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.077 17.379 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.508 17.872 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.202 17.288 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.220 18.611 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.821 16.597 6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.769 15.247 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.329 15.980 5.374 1.00 0.00 H new ATOM 316 N ASP A 23 7.726 14.202 1.071 1.00 0.00 N ATOM 317 CA ASP A 23 7.025 12.933 1.286 1.00 0.00 C ATOM 318 C ASP A 23 7.380 11.917 0.195 1.00 0.00 C ATOM 319 O ASP A 23 7.602 12.288 -0.959 1.00 0.00 O ATOM 320 CB ASP A 23 5.505 13.156 1.322 1.00 0.00 C ATOM 321 CG ASP A 23 4.761 12.021 2.006 1.00 0.00 C ATOM 322 OD1 ASP A 23 4.615 10.945 1.389 1.00 0.00 O ATOM 323 OD2 ASP A 23 4.326 12.209 3.161 1.00 0.00 O ATOM 0 H ASP A 23 8.073 14.334 0.121 1.00 0.00 H new ATOM 0 HA ASP A 23 7.346 12.532 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.291 14.090 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.134 13.266 0.303 1.00 0.00 H new ATOM 328 N GLU A 24 7.433 10.637 0.573 1.00 0.00 N ATOM 329 CA GLU A 24 7.760 9.566 -0.369 1.00 0.00 C ATOM 330 C GLU A 24 6.763 8.412 -0.269 1.00 0.00 C ATOM 331 O GLU A 24 6.843 7.580 0.639 1.00 0.00 O ATOM 332 CB GLU A 24 9.177 9.045 -0.120 1.00 0.00 C ATOM 333 CG GLU A 24 9.926 8.684 -1.391 1.00 0.00 C ATOM 334 CD GLU A 24 11.398 8.443 -1.135 1.00 0.00 C ATOM 335 OE1 GLU A 24 12.148 9.434 -1.008 1.00 0.00 O ATOM 336 OE2 GLU A 24 11.802 7.264 -1.054 1.00 0.00 O ATOM 0 H GLU A 24 7.253 10.318 1.525 1.00 0.00 H new ATOM 0 HA GLU A 24 7.702 9.985 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.743 9.802 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.124 8.166 0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.484 7.790 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.812 9.487 -2.119 1.00 0.00 H new ATOM 343 N ASP A 25 5.823 8.373 -1.211 1.00 0.00 N ATOM 344 CA ASP A 25 4.803 7.328 -1.250 1.00 0.00 C ATOM 345 C ASP A 25 5.384 5.998 -1.742 1.00 0.00 C ATOM 346 O ASP A 25 6.568 5.909 -2.073 1.00 0.00 O ATOM 347 CB ASP A 25 3.646 7.761 -2.159 1.00 0.00 C ATOM 348 CG ASP A 25 2.881 8.953 -1.610 1.00 0.00 C ATOM 349 OD1 ASP A 25 3.529 9.906 -1.121 1.00 0.00 O ATOM 350 OD2 ASP A 25 1.633 8.933 -1.668 1.00 0.00 O ATOM 0 H ASP A 25 5.747 9.058 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 25 4.434 7.180 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.038 8.010 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.960 6.924 -2.290 1.00 0.00 H new ATOM 355 N ALA A 26 4.534 4.970 -1.791 1.00 0.00 N ATOM 356 CA ALA A 26 4.945 3.643 -2.247 1.00 0.00 C ATOM 357 C ALA A 26 4.593 3.440 -3.721 1.00 0.00 C ATOM 358 O ALA A 26 3.947 4.289 -4.336 1.00 0.00 O ATOM 359 CB ALA A 26 4.297 2.563 -1.388 1.00 0.00 C ATOM 0 H ALA A 26 3.553 5.033 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 26 6.027 3.566 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.612 1.581 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.602 2.692 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.212 2.643 -1.460 1.00 0.00 H new ATOM 365 N VAL A 27 5.023 2.312 -4.285 1.00 0.00 N ATOM 366 CA VAL A 27 4.752 2.007 -5.687 1.00 0.00 C ATOM 367 C VAL A 27 4.124 0.625 -5.838 1.00 0.00 C ATOM 368 O VAL A 27 4.757 -0.391 -5.546 1.00 0.00 O ATOM 369 CB VAL A 27 6.035 2.091 -6.545 1.00 0.00 C ATOM 370 CG1 VAL A 27 6.378 3.544 -6.849 1.00 0.00 C ATOM 371 CG2 VAL A 27 7.201 1.397 -5.851 1.00 0.00 C ATOM 0 H VAL A 27 5.559 1.597 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 27 4.047 2.757 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 27 5.849 1.575 -7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.284 3.585 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.555 4.005 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.540 4.083 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.092 1.470 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.390 1.877 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.956 0.347 -5.690 1.00 0.00 H new ATOM 381 N CYS A 28 2.869 0.597 -6.284 1.00 0.00 N ATOM 382 CA CYS A 28 2.145 -0.656 -6.463 1.00 0.00 C ATOM 383 C CYS A 28 2.826 -1.556 -7.495 1.00 0.00 C ATOM 384 O CYS A 28 3.497 -1.075 -8.410 1.00 0.00 O ATOM 385 CB CYS A 28 0.699 -0.379 -6.868 1.00 0.00 C ATOM 386 SG CYS A 28 -0.237 -1.868 -7.338 1.00 0.00 S ATOM 0 H CYS A 28 2.334 1.430 -6.528 1.00 0.00 H new ATOM 0 HA CYS A 28 2.151 -1.184 -5.509 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.188 0.112 -6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.694 0.320 -7.705 1.00 0.00 H new ATOM 391 N SER A 29 2.647 -2.868 -7.331 1.00 0.00 N ATOM 392 CA SER A 29 3.243 -3.852 -8.233 1.00 0.00 C ATOM 393 C SER A 29 2.226 -4.380 -9.250 1.00 0.00 C ATOM 394 O SER A 29 2.586 -4.675 -10.390 1.00 0.00 O ATOM 395 CB SER A 29 3.822 -5.020 -7.431 1.00 0.00 C ATOM 396 OG SER A 29 4.885 -5.645 -8.128 1.00 0.00 O ATOM 0 H SER A 29 2.091 -3.274 -6.578 1.00 0.00 H new ATOM 0 HA SER A 29 4.041 -3.352 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.179 -4.660 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.038 -5.750 -7.229 1.00 0.00 H new ATOM 0 HG SER A 29 5.237 -6.386 -7.592 1.00 0.00 H new ATOM 402 N ILE A 30 0.959 -4.498 -8.838 1.00 0.00 N ATOM 403 CA ILE A 30 -0.091 -4.992 -9.726 1.00 0.00 C ATOM 404 C ILE A 30 -0.358 -4.008 -10.866 1.00 0.00 C ATOM 405 O ILE A 30 -0.781 -4.406 -11.952 1.00 0.00 O ATOM 406 CB ILE A 30 -1.410 -5.247 -8.954 1.00 0.00 C ATOM 407 CG1 ILE A 30 -1.304 -6.531 -8.124 1.00 0.00 C ATOM 408 CG2 ILE A 30 -2.595 -5.327 -9.913 1.00 0.00 C ATOM 409 CD1 ILE A 30 -0.949 -6.290 -6.671 1.00 0.00 C ATOM 0 H ILE A 30 0.640 -4.259 -7.899 1.00 0.00 H new ATOM 0 HA ILE A 30 0.264 -5.935 -10.142 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.577 -4.408 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.253 -7.064 -8.173 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.550 -7.180 -8.570 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.509 -5.507 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.685 -4.388 -10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.438 -6.144 -10.618 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.892 -7.244 -6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.015 -5.785 -6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.714 -5.667 -6.208 1.00 0.00 H new ATOM 421 N CYS A 31 -0.128 -2.722 -10.605 1.00 0.00 N ATOM 422 CA CYS A 31 -0.363 -1.686 -11.599 1.00 0.00 C ATOM 423 C CYS A 31 0.732 -0.620 -11.559 1.00 0.00 C ATOM 424 O CYS A 31 1.370 -0.412 -10.525 1.00 0.00 O ATOM 425 CB CYS A 31 -1.739 -1.063 -11.356 1.00 0.00 C ATOM 426 SG CYS A 31 -1.770 0.215 -10.055 1.00 0.00 S ATOM 0 H CYS A 31 0.221 -2.376 -9.711 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.338 -2.135 -12.592 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.095 -0.624 -12.288 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.440 -1.854 -11.088 1.00 0.00 H new ATOM 431 N MET A 32 0.943 0.053 -12.692 1.00 0.00 N ATOM 432 CA MET A 32 1.962 1.100 -12.790 1.00 0.00 C ATOM 433 C MET A 32 1.352 2.487 -12.565 1.00 0.00 C ATOM 434 O MET A 32 1.767 3.465 -13.191 1.00 0.00 O ATOM 435 CB MET A 32 2.651 1.049 -14.161 1.00 0.00 C ATOM 436 CG MET A 32 3.735 -0.013 -14.264 1.00 0.00 C ATOM 437 SD MET A 32 3.164 -1.510 -15.092 1.00 0.00 S ATOM 438 CE MET A 32 4.619 -1.955 -16.038 1.00 0.00 C ATOM 0 H MET A 32 0.422 -0.108 -13.554 1.00 0.00 H new ATOM 0 HA MET A 32 2.702 0.920 -12.011 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.899 0.863 -14.928 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.089 2.024 -14.373 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.588 0.395 -14.807 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.086 -0.267 -13.264 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.420 -2.865 -16.605 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.868 -1.146 -16.725 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.456 -2.125 -15.360 1.00 0.00 H new ATOM 448 N ASP A 33 0.364 2.565 -11.665 1.00 0.00 N ATOM 449 CA ASP A 33 -0.310 3.826 -11.349 1.00 0.00 C ATOM 450 C ASP A 33 -0.881 4.489 -12.607 1.00 0.00 C ATOM 451 O ASP A 33 -0.961 5.718 -12.691 1.00 0.00 O ATOM 452 CB ASP A 33 0.654 4.785 -10.642 1.00 0.00 C ATOM 453 CG ASP A 33 1.368 4.135 -9.472 1.00 0.00 C ATOM 454 OD1 ASP A 33 0.816 4.158 -8.351 1.00 0.00 O ATOM 455 OD2 ASP A 33 2.474 3.594 -9.679 1.00 0.00 O ATOM 0 H ASP A 33 0.013 1.763 -11.141 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.141 3.597 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.392 5.146 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.101 5.655 -10.288 1.00 0.00 H new ATOM 460 N GLY A 34 -1.284 3.671 -13.581 1.00 0.00 N ATOM 461 CA GLY A 34 -1.845 4.198 -14.812 1.00 0.00 C ATOM 462 C GLY A 34 -3.362 4.243 -14.786 1.00 0.00 C ATOM 463 O GLY A 34 -3.971 5.100 -15.427 1.00 0.00 O ATOM 0 H GLY A 34 -1.231 2.653 -13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.458 5.202 -14.983 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.517 3.583 -15.650 1.00 0.00 H new ATOM 467 N GLU A 35 -3.973 3.320 -14.038 1.00 0.00 N ATOM 468 CA GLU A 35 -5.426 3.261 -13.926 1.00 0.00 C ATOM 469 C GLU A 35 -5.849 2.537 -12.646 1.00 0.00 C ATOM 470 O GLU A 35 -6.070 1.324 -12.646 1.00 0.00 O ATOM 471 CB GLU A 35 -6.025 2.572 -15.159 1.00 0.00 C ATOM 472 CG GLU A 35 -5.434 1.198 -15.451 1.00 0.00 C ATOM 473 CD GLU A 35 -5.028 1.024 -16.904 1.00 0.00 C ATOM 474 OE1 GLU A 35 -5.869 1.278 -17.792 1.00 0.00 O ATOM 475 OE2 GLU A 35 -3.868 0.631 -17.153 1.00 0.00 O ATOM 0 H GLU A 35 -3.481 2.605 -13.502 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.807 4.281 -13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.101 2.471 -15.019 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.876 3.212 -16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.563 1.040 -14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.163 0.432 -15.189 1.00 0.00 H new ATOM 482 N SER A 36 -5.953 3.292 -11.552 1.00 0.00 N ATOM 483 CA SER A 36 -6.341 2.727 -10.261 1.00 0.00 C ATOM 484 C SER A 36 -7.522 3.491 -9.655 1.00 0.00 C ATOM 485 O SER A 36 -7.559 3.728 -8.448 1.00 0.00 O ATOM 486 CB SER A 36 -5.149 2.747 -9.292 1.00 0.00 C ATOM 487 OG SER A 36 -3.912 2.764 -9.988 1.00 0.00 O ATOM 0 H SER A 36 -5.774 4.296 -11.535 1.00 0.00 H new ATOM 0 HA SER A 36 -6.651 1.695 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.217 3.624 -8.648 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.191 1.871 -8.644 1.00 0.00 H new ATOM 0 HG SER A 36 -3.454 1.907 -9.863 1.00 0.00 H new ATOM 493 N GLN A 37 -8.489 3.872 -10.500 1.00 0.00 N ATOM 494 CA GLN A 37 -9.671 4.609 -10.042 1.00 0.00 C ATOM 495 C GLN A 37 -9.290 6.007 -9.543 1.00 0.00 C ATOM 496 O GLN A 37 -8.117 6.285 -9.284 1.00 0.00 O ATOM 497 CB GLN A 37 -10.381 3.827 -8.927 1.00 0.00 C ATOM 498 CG GLN A 37 -11.775 4.342 -8.607 1.00 0.00 C ATOM 499 CD GLN A 37 -12.558 3.403 -7.707 1.00 0.00 C ATOM 500 OE1 GLN A 37 -13.627 2.921 -8.077 1.00 0.00 O ATOM 501 NE2 GLN A 37 -12.030 3.140 -6.515 1.00 0.00 N ATOM 0 H GLN A 37 -8.475 3.682 -11.502 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.349 4.723 -10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.449 2.779 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.773 3.868 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.695 5.317 -8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.325 4.489 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.140 3.561 -6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.515 2.517 -5.869 1.00 0.00 H new ATOM 510 N ASN A 38 -10.287 6.885 -9.405 1.00 0.00 N ATOM 511 CA ASN A 38 -10.050 8.249 -8.928 1.00 0.00 C ATOM 512 C ASN A 38 -9.349 8.238 -7.566 1.00 0.00 C ATOM 513 O ASN A 38 -8.437 9.031 -7.325 1.00 0.00 O ATOM 514 CB ASN A 38 -11.367 9.024 -8.831 1.00 0.00 C ATOM 515 CG ASN A 38 -11.603 9.904 -10.044 1.00 0.00 C ATOM 516 OD1 ASN A 38 -11.749 9.412 -11.163 1.00 0.00 O ATOM 517 ND2 ASN A 38 -11.636 11.216 -9.831 1.00 0.00 N ATOM 0 H ASN A 38 -11.263 6.676 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.401 8.746 -9.649 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -12.194 8.321 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.359 9.641 -7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.787 11.856 -10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.511 11.583 -8.888 1.00 0.00 H new ATOM 524 N SER A 39 -9.776 7.327 -6.686 1.00 0.00 N ATOM 525 CA SER A 39 -9.190 7.196 -5.354 1.00 0.00 C ATOM 526 C SER A 39 -8.812 5.742 -5.077 1.00 0.00 C ATOM 527 O SER A 39 -9.648 4.843 -5.186 1.00 0.00 O ATOM 528 CB SER A 39 -10.166 7.696 -4.285 1.00 0.00 C ATOM 529 OG SER A 39 -9.631 7.526 -2.982 1.00 0.00 O ATOM 0 H SER A 39 -10.530 6.667 -6.877 1.00 0.00 H new ATOM 0 HA SER A 39 -8.288 7.807 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.388 8.750 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.108 7.155 -4.368 1.00 0.00 H new ATOM 0 HG SER A 39 -9.411 8.402 -2.602 1.00 0.00 H new ATOM 535 N ASN A 40 -7.547 5.523 -4.720 1.00 0.00 N ATOM 536 CA ASN A 40 -7.047 4.180 -4.428 1.00 0.00 C ATOM 537 C ASN A 40 -6.265 4.158 -3.116 1.00 0.00 C ATOM 538 O ASN A 40 -5.863 5.206 -2.604 1.00 0.00 O ATOM 539 CB ASN A 40 -6.158 3.678 -5.573 1.00 0.00 C ATOM 540 CG ASN A 40 -5.131 4.707 -6.012 1.00 0.00 C ATOM 541 OD1 ASN A 40 -5.310 5.383 -7.024 1.00 0.00 O ATOM 542 ND2 ASN A 40 -4.048 4.835 -5.251 1.00 0.00 N ATOM 0 H ASN A 40 -6.848 6.260 -4.626 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.907 3.518 -4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.644 2.770 -5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.785 3.410 -6.424 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.328 5.513 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.938 4.255 -4.419 1.00 0.00 H new ATOM 549 N VAL A 41 -6.048 2.956 -2.580 1.00 0.00 N ATOM 550 CA VAL A 41 -5.310 2.791 -1.330 1.00 0.00 C ATOM 551 C VAL A 41 -4.206 1.746 -1.475 1.00 0.00 C ATOM 552 O VAL A 41 -4.482 0.566 -1.700 1.00 0.00 O ATOM 553 CB VAL A 41 -6.236 2.388 -0.158 1.00 0.00 C ATOM 554 CG1 VAL A 41 -7.084 3.571 0.287 1.00 0.00 C ATOM 555 CG2 VAL A 41 -7.120 1.206 -0.537 1.00 0.00 C ATOM 0 H VAL A 41 -6.374 2.082 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.866 3.761 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.606 2.081 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.728 3.267 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.434 4.382 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.698 3.912 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.760 0.945 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.739 1.474 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.494 0.352 -0.795 1.00 0.00 H new ATOM 565 N ILE A 42 -2.957 2.187 -1.335 1.00 0.00 N ATOM 566 CA ILE A 42 -1.812 1.288 -1.439 1.00 0.00 C ATOM 567 C ILE A 42 -1.513 0.653 -0.081 1.00 0.00 C ATOM 568 O ILE A 42 -1.900 1.192 0.959 1.00 0.00 O ATOM 569 CB ILE A 42 -0.554 2.022 -1.966 1.00 0.00 C ATOM 570 CG1 ILE A 42 0.459 1.015 -2.524 1.00 0.00 C ATOM 571 CG2 ILE A 42 0.079 2.875 -0.873 1.00 0.00 C ATOM 572 CD1 ILE A 42 0.961 1.365 -3.908 1.00 0.00 C ATOM 0 H ILE A 42 -2.714 3.160 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.070 0.508 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.861 2.687 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.308 0.952 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.001 0.027 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.960 3.379 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.640 3.618 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.371 2.238 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.674 0.609 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.121 1.400 -4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.451 2.338 -3.882 1.00 0.00 H new ATOM 584 N LEU A 43 -0.836 -0.492 -0.091 1.00 0.00 N ATOM 585 CA LEU A 43 -0.506 -1.189 1.144 1.00 0.00 C ATOM 586 C LEU A 43 0.956 -1.590 1.175 1.00 0.00 C ATOM 587 O LEU A 43 1.443 -2.257 0.264 1.00 0.00 O ATOM 588 CB LEU A 43 -1.387 -2.428 1.305 1.00 0.00 C ATOM 589 CG LEU A 43 -2.866 -2.130 1.536 1.00 0.00 C ATOM 590 CD1 LEU A 43 -3.673 -3.414 1.584 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.048 -1.333 2.817 1.00 0.00 C ATOM 0 H LEU A 43 -0.507 -0.954 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.691 -0.505 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.289 -3.046 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.013 -3.017 2.143 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.232 -1.533 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.724 -3.177 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.566 -3.947 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.310 -4.042 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.107 -1.127 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.664 -1.907 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.503 -0.392 2.741 1.00 0.00 H new ATOM 603 N PHE A 44 1.644 -1.182 2.234 1.00 0.00 N ATOM 604 CA PHE A 44 3.058 -1.496 2.404 1.00 0.00 C ATOM 605 C PHE A 44 3.246 -2.529 3.507 1.00 0.00 C ATOM 606 O PHE A 44 2.622 -2.426 4.565 1.00 0.00 O ATOM 607 CB PHE A 44 3.839 -0.223 2.740 1.00 0.00 C ATOM 608 CG PHE A 44 5.171 -0.132 2.052 1.00 0.00 C ATOM 609 CD1 PHE A 44 5.267 -0.309 0.683 1.00 0.00 C ATOM 610 CD2 PHE A 44 6.324 0.128 2.775 1.00 0.00 C ATOM 611 CE1 PHE A 44 6.489 -0.224 0.044 1.00 0.00 C ATOM 612 CE2 PHE A 44 7.549 0.214 2.142 1.00 0.00 C ATOM 613 CZ PHE A 44 7.632 0.035 0.775 1.00 0.00 C ATOM 0 H PHE A 44 1.243 -0.630 2.992 1.00 0.00 H new ATOM 0 HA PHE A 44 3.437 -1.912 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.238 0.644 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.993 -0.176 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.377 -0.516 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.264 0.265 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.550 -0.360 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.441 0.421 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.589 0.097 0.278 1.00 0.00 H new ATOM 623 N CYS A 45 4.103 -3.526 3.268 1.00 0.00 N ATOM 624 CA CYS A 45 4.343 -4.562 4.273 1.00 0.00 C ATOM 625 C CYS A 45 5.069 -3.987 5.493 1.00 0.00 C ATOM 626 O CYS A 45 5.822 -3.015 5.380 1.00 0.00 O ATOM 627 CB CYS A 45 5.137 -5.731 3.689 1.00 0.00 C ATOM 628 SG CYS A 45 5.018 -7.245 4.695 1.00 0.00 S ATOM 0 H CYS A 45 4.633 -3.636 2.403 1.00 0.00 H new ATOM 0 HA CYS A 45 3.370 -4.936 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.776 -5.941 2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.184 -5.443 3.599 1.00 0.00 H new ATOM 633 N ASP A 46 4.830 -4.589 6.660 1.00 0.00 N ATOM 634 CA ASP A 46 5.450 -4.131 7.906 1.00 0.00 C ATOM 635 C ASP A 46 6.867 -4.686 8.085 1.00 0.00 C ATOM 636 O ASP A 46 7.636 -4.168 8.896 1.00 0.00 O ATOM 637 CB ASP A 46 4.578 -4.511 9.110 1.00 0.00 C ATOM 638 CG ASP A 46 4.706 -3.538 10.277 1.00 0.00 C ATOM 639 OD1 ASP A 46 5.108 -2.374 10.056 1.00 0.00 O ATOM 640 OD2 ASP A 46 4.399 -3.945 11.417 1.00 0.00 O ATOM 0 H ASP A 46 4.213 -5.394 6.769 1.00 0.00 H new ATOM 0 HA ASP A 46 5.529 -3.045 7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.535 -4.555 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.852 -5.511 9.447 1.00 0.00 H new ATOM 645 N MET A 47 7.224 -5.719 7.315 1.00 0.00 N ATOM 646 CA MET A 47 8.558 -6.303 7.391 1.00 0.00 C ATOM 647 C MET A 47 9.150 -6.427 5.990 1.00 0.00 C ATOM 648 O MET A 47 10.151 -7.117 5.784 1.00 0.00 O ATOM 649 CB MET A 47 8.498 -7.677 8.067 1.00 0.00 C ATOM 650 CG MET A 47 9.471 -7.821 9.225 1.00 0.00 C ATOM 651 SD MET A 47 11.143 -8.225 8.681 1.00 0.00 S ATOM 652 CE MET A 47 12.013 -6.715 9.099 1.00 0.00 C ATOM 0 H MET A 47 6.607 -6.164 6.635 1.00 0.00 H new ATOM 0 HA MET A 47 9.197 -5.652 7.988 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.485 -7.852 8.429 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.709 -8.448 7.326 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.493 -6.892 9.794 1.00 0.00 H new ATOM 0 HG3 MET A 47 9.114 -8.599 9.900 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.063 -6.811 8.822 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.570 -5.878 8.559 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.936 -6.536 10.171 1.00 0.00 H new ATOM 662 N CYS A 48 8.504 -5.762 5.027 1.00 0.00 N ATOM 663 CA CYS A 48 8.927 -5.804 3.645 1.00 0.00 C ATOM 664 C CYS A 48 8.557 -4.510 2.915 1.00 0.00 C ATOM 665 O CYS A 48 8.035 -3.570 3.518 1.00 0.00 O ATOM 666 CB CYS A 48 8.248 -6.988 2.960 1.00 0.00 C ATOM 667 SG CYS A 48 8.372 -8.561 3.869 1.00 0.00 S ATOM 0 H CYS A 48 7.679 -5.186 5.194 1.00 0.00 H new ATOM 0 HA CYS A 48 10.011 -5.914 3.611 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.194 -6.751 2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.687 -7.119 1.971 1.00 0.00 H new ATOM 672 N ASN A 49 8.811 -4.489 1.609 1.00 0.00 N ATOM 673 CA ASN A 49 8.491 -3.340 0.770 1.00 0.00 C ATOM 674 C ASN A 49 7.344 -3.672 -0.191 1.00 0.00 C ATOM 675 O ASN A 49 7.146 -2.978 -1.192 1.00 0.00 O ATOM 676 CB ASN A 49 9.726 -2.895 -0.020 1.00 0.00 C ATOM 677 CG ASN A 49 10.704 -2.106 0.830 1.00 0.00 C ATOM 678 OD1 ASN A 49 10.688 -0.876 0.832 1.00 0.00 O ATOM 679 ND2 ASN A 49 11.562 -2.810 1.561 1.00 0.00 N ATOM 0 H ASN A 49 9.242 -5.264 1.106 1.00 0.00 H new ATOM 0 HA ASN A 49 8.174 -2.523 1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.229 -3.772 -0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.412 -2.286 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.241 -2.331 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.542 -3.829 1.530 1.00 0.00 H new ATOM 686 N LEU A 50 6.588 -4.737 0.114 1.00 0.00 N ATOM 687 CA LEU A 50 5.470 -5.144 -0.728 1.00 0.00 C ATOM 688 C LEU A 50 4.402 -4.057 -0.756 1.00 0.00 C ATOM 689 O LEU A 50 3.560 -3.975 0.140 1.00 0.00 O ATOM 690 CB LEU A 50 4.869 -6.467 -0.234 1.00 0.00 C ATOM 691 CG LEU A 50 3.656 -6.959 -1.030 1.00 0.00 C ATOM 692 CD1 LEU A 50 4.089 -7.891 -2.151 1.00 0.00 C ATOM 693 CD2 LEU A 50 2.655 -7.647 -0.112 1.00 0.00 C ATOM 0 H LEU A 50 6.735 -5.325 0.935 1.00 0.00 H new ATOM 0 HA LEU A 50 5.844 -5.294 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.642 -7.235 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.578 -6.350 0.810 1.00 0.00 H new ATOM 0 HG LEU A 50 3.168 -6.094 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.212 -8.228 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.761 -7.361 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.605 -8.753 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.801 -7.989 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.131 -8.501 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.316 -6.944 0.649 1.00 0.00 H new ATOM 705 N ALA A 51 4.451 -3.222 -1.790 1.00 0.00 N ATOM 706 CA ALA A 51 3.498 -2.136 -1.948 1.00 0.00 C ATOM 707 C ALA A 51 2.466 -2.488 -3.014 1.00 0.00 C ATOM 708 O ALA A 51 2.783 -2.504 -4.201 1.00 0.00 O ATOM 709 CB ALA A 51 4.214 -0.843 -2.316 1.00 0.00 C ATOM 0 H ALA A 51 5.147 -3.280 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 51 2.985 -1.989 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.483 -0.042 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.920 -0.581 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.752 -0.979 -3.254 1.00 0.00 H new ATOM 715 N VAL A 52 1.239 -2.785 -2.587 1.00 0.00 N ATOM 716 CA VAL A 52 0.169 -3.142 -3.520 1.00 0.00 C ATOM 717 C VAL A 52 -1.187 -2.650 -3.024 1.00 0.00 C ATOM 718 O VAL A 52 -1.530 -2.844 -1.857 1.00 0.00 O ATOM 719 CB VAL A 52 0.094 -4.672 -3.745 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.296 -5.164 -4.538 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.016 -5.416 -2.419 1.00 0.00 C ATOM 0 H VAL A 52 0.961 -2.786 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 52 0.408 -2.654 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.805 -4.880 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.220 -6.242 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.319 -4.668 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.211 -4.935 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.067 -6.489 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.857 -5.196 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.917 -5.096 -1.896 1.00 0.00 H new ATOM 731 N HIS A 53 -1.973 -2.035 -3.911 1.00 0.00 N ATOM 732 CA HIS A 53 -3.301 -1.558 -3.525 1.00 0.00 C ATOM 733 C HIS A 53 -4.170 -2.739 -3.092 1.00 0.00 C ATOM 734 O HIS A 53 -4.121 -3.806 -3.706 1.00 0.00 O ATOM 735 CB HIS A 53 -3.996 -0.814 -4.677 1.00 0.00 C ATOM 736 CG HIS A 53 -3.208 0.324 -5.248 1.00 0.00 C ATOM 737 ND1 HIS A 53 -2.594 0.222 -6.470 1.00 0.00 N ATOM 738 CD2 HIS A 53 -2.985 1.562 -4.744 1.00 0.00 C ATOM 739 CE1 HIS A 53 -2.015 1.390 -6.686 1.00 0.00 C ATOM 740 NE2 HIS A 53 -2.223 2.235 -5.666 1.00 0.00 N ATOM 0 H HIS A 53 -1.719 -1.858 -4.883 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.173 -0.861 -2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.212 -1.526 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.954 -0.434 -4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.339 1.945 -3.798 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.447 1.633 -7.572 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.881 3.193 -5.590 1.00 0.00 H new ATOM 748 N GLN A 54 -4.968 -2.547 -2.041 1.00 0.00 N ATOM 749 CA GLN A 54 -5.851 -3.609 -1.544 1.00 0.00 C ATOM 750 C GLN A 54 -6.883 -4.018 -2.603 1.00 0.00 C ATOM 751 O GLN A 54 -7.448 -5.110 -2.538 1.00 0.00 O ATOM 752 CB GLN A 54 -6.564 -3.163 -0.261 1.00 0.00 C ATOM 753 CG GLN A 54 -7.528 -2.000 -0.457 1.00 0.00 C ATOM 754 CD GLN A 54 -8.981 -2.421 -0.343 1.00 0.00 C ATOM 755 OE1 GLN A 54 -9.647 -2.668 -1.348 1.00 0.00 O ATOM 756 NE2 GLN A 54 -9.481 -2.506 0.886 1.00 0.00 N ATOM 0 H GLN A 54 -5.023 -1.673 -1.519 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.229 -4.476 -1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.113 -4.010 0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.815 -2.879 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.318 -1.230 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.359 -1.554 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.893 -2.292 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.452 -2.785 1.023 1.00 0.00 H new ATOM 765 N GLU A 55 -7.098 -3.144 -3.589 1.00 0.00 N ATOM 766 CA GLU A 55 -8.029 -3.411 -4.679 1.00 0.00 C ATOM 767 C GLU A 55 -7.299 -4.117 -5.817 1.00 0.00 C ATOM 768 O GLU A 55 -7.895 -4.856 -6.600 1.00 0.00 O ATOM 769 CB GLU A 55 -8.644 -2.101 -5.177 1.00 0.00 C ATOM 770 CG GLU A 55 -9.950 -2.286 -5.929 1.00 0.00 C ATOM 771 CD GLU A 55 -10.697 -0.982 -6.134 1.00 0.00 C ATOM 772 OE1 GLU A 55 -11.205 -0.425 -5.137 1.00 0.00 O ATOM 773 OE2 GLU A 55 -10.774 -0.516 -7.290 1.00 0.00 O ATOM 0 H GLU A 55 -6.633 -2.238 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.830 -4.056 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.816 -1.444 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.928 -1.598 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.745 -2.739 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.585 -2.981 -5.380 1.00 0.00 H new ATOM 780 N CYS A 56 -5.993 -3.869 -5.884 1.00 0.00 N ATOM 781 CA CYS A 56 -5.130 -4.447 -6.891 1.00 0.00 C ATOM 782 C CYS A 56 -4.803 -5.895 -6.546 1.00 0.00 C ATOM 783 O CYS A 56 -4.773 -6.762 -7.420 1.00 0.00 O ATOM 784 CB CYS A 56 -3.845 -3.625 -6.970 1.00 0.00 C ATOM 785 SG CYS A 56 -3.632 -2.713 -8.530 1.00 0.00 S ATOM 0 H CYS A 56 -5.507 -3.254 -5.231 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.639 -4.433 -7.855 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.831 -2.915 -6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.993 -4.291 -6.833 1.00 0.00 H new ATOM 790 N TYR A 57 -4.560 -6.147 -5.261 1.00 0.00 N ATOM 791 CA TYR A 57 -4.238 -7.487 -4.793 1.00 0.00 C ATOM 792 C TYR A 57 -5.505 -8.321 -4.575 1.00 0.00 C ATOM 793 O TYR A 57 -5.493 -9.539 -4.755 1.00 0.00 O ATOM 794 CB TYR A 57 -3.424 -7.421 -3.497 1.00 0.00 C ATOM 795 CG TYR A 57 -2.518 -8.616 -3.289 1.00 0.00 C ATOM 796 CD1 TYR A 57 -3.024 -9.821 -2.817 1.00 0.00 C ATOM 797 CD2 TYR A 57 -1.159 -8.539 -3.564 1.00 0.00 C ATOM 798 CE1 TYR A 57 -2.202 -10.914 -2.627 1.00 0.00 C ATOM 799 CE2 TYR A 57 -0.330 -9.628 -3.377 1.00 0.00 C ATOM 800 CZ TYR A 57 -0.855 -10.813 -2.907 1.00 0.00 C ATOM 801 OH TYR A 57 -0.032 -11.900 -2.717 1.00 0.00 O ATOM 0 H TYR A 57 -4.581 -5.438 -4.528 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.640 -7.972 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.820 -6.514 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.108 -7.343 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.078 -9.904 -2.595 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.743 -7.612 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.612 -11.844 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.724 -9.552 -3.598 1.00 0.00 H new ATOM 0 HH TYR A 57 0.886 -11.662 -2.962 1.00 0.00 H new ATOM 811 N GLY A 58 -6.593 -7.655 -4.179 1.00 0.00 N ATOM 812 CA GLY A 58 -7.850 -8.344 -3.933 1.00 0.00 C ATOM 813 C GLY A 58 -8.060 -8.653 -2.459 1.00 0.00 C ATOM 814 O GLY A 58 -8.629 -9.690 -2.112 1.00 0.00 O ATOM 0 H GLY A 58 -6.623 -6.647 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.675 -7.730 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.870 -9.273 -4.503 1.00 0.00 H new ATOM 818 N VAL A 59 -7.600 -7.747 -1.592 1.00 0.00 N ATOM 819 CA VAL A 59 -7.738 -7.921 -0.149 1.00 0.00 C ATOM 820 C VAL A 59 -9.183 -7.681 0.287 1.00 0.00 C ATOM 821 O VAL A 59 -9.746 -6.618 0.023 1.00 0.00 O ATOM 822 CB VAL A 59 -6.805 -6.965 0.628 1.00 0.00 C ATOM 823 CG1 VAL A 59 -6.892 -7.229 2.124 1.00 0.00 C ATOM 824 CG2 VAL A 59 -5.366 -7.097 0.140 1.00 0.00 C ATOM 0 H VAL A 59 -7.129 -6.885 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.454 -8.948 0.081 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.134 -5.943 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.228 -6.546 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.917 -7.074 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.594 -8.257 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.727 -6.415 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.023 -8.121 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.317 -6.850 -0.921 1.00 0.00 H new ATOM 834 N PRO A 60 -9.806 -8.673 0.957 1.00 0.00 N ATOM 835 CA PRO A 60 -11.196 -8.564 1.420 1.00 0.00 C ATOM 836 C PRO A 60 -11.382 -7.479 2.482 1.00 0.00 C ATOM 837 O PRO A 60 -12.295 -6.658 2.382 1.00 0.00 O ATOM 838 CB PRO A 60 -11.497 -9.952 2.001 1.00 0.00 C ATOM 839 CG PRO A 60 -10.165 -10.535 2.325 1.00 0.00 C ATOM 840 CD PRO A 60 -9.209 -9.977 1.308 1.00 0.00 C ATOM 0 HA PRO A 60 -11.867 -8.276 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.122 -9.880 2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.034 -10.572 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.858 -10.268 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.194 -11.624 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.206 -9.862 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.124 -10.627 0.437 1.00 0.00 H new ATOM 848 N TYR A 61 -10.512 -7.475 3.493 1.00 0.00 N ATOM 849 CA TYR A 61 -10.586 -6.486 4.564 1.00 0.00 C ATOM 850 C TYR A 61 -9.188 -6.061 5.009 1.00 0.00 C ATOM 851 O TYR A 61 -8.227 -6.821 4.873 1.00 0.00 O ATOM 852 CB TYR A 61 -11.372 -7.044 5.754 1.00 0.00 C ATOM 853 CG TYR A 61 -11.589 -6.037 6.865 1.00 0.00 C ATOM 854 CD1 TYR A 61 -12.283 -4.856 6.631 1.00 0.00 C ATOM 855 CD2 TYR A 61 -11.092 -6.264 8.143 1.00 0.00 C ATOM 856 CE1 TYR A 61 -12.476 -3.930 7.638 1.00 0.00 C ATOM 857 CE2 TYR A 61 -11.283 -5.343 9.156 1.00 0.00 C ATOM 858 CZ TYR A 61 -11.975 -4.178 8.898 1.00 0.00 C ATOM 859 OH TYR A 61 -12.163 -3.256 9.903 1.00 0.00 O ATOM 0 H TYR A 61 -9.750 -8.146 3.591 1.00 0.00 H new ATOM 0 HA TYR A 61 -11.106 -5.609 4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.341 -7.400 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.842 -7.907 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -12.678 -4.659 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.548 -7.174 8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -13.017 -3.016 7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.892 -5.535 10.144 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.749 -3.583 10.729 1.00 0.00 H new ATOM 869 N ILE A 62 -9.086 -4.843 5.541 1.00 0.00 N ATOM 870 CA ILE A 62 -7.812 -4.309 6.009 1.00 0.00 C ATOM 871 C ILE A 62 -7.619 -4.582 7.501 1.00 0.00 C ATOM 872 O ILE A 62 -8.302 -3.988 8.337 1.00 0.00 O ATOM 873 CB ILE A 62 -7.712 -2.787 5.759 1.00 0.00 C ATOM 874 CG1 ILE A 62 -8.049 -2.459 4.300 1.00 0.00 C ATOM 875 CG2 ILE A 62 -6.321 -2.279 6.115 1.00 0.00 C ATOM 876 CD1 ILE A 62 -8.200 -0.977 4.028 1.00 0.00 C ATOM 0 H ILE A 62 -9.875 -4.207 5.658 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.029 -4.814 5.443 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.436 -2.284 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.265 -2.859 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.975 -2.965 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.268 -1.206 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.119 -2.479 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.579 -2.788 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.438 -0.823 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -9.003 -0.574 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.267 -0.466 4.268 1.00 0.00 H new ATOM 888 N PRO A 63 -6.682 -5.488 7.854 1.00 0.00 N ATOM 889 CA PRO A 63 -6.398 -5.835 9.254 1.00 0.00 C ATOM 890 C PRO A 63 -6.061 -4.607 10.101 1.00 0.00 C ATOM 891 O PRO A 63 -5.532 -3.618 9.591 1.00 0.00 O ATOM 892 CB PRO A 63 -5.181 -6.761 9.155 1.00 0.00 C ATOM 893 CG PRO A 63 -5.247 -7.329 7.781 1.00 0.00 C ATOM 894 CD PRO A 63 -5.828 -6.245 6.917 1.00 0.00 C ATOM 0 HA PRO A 63 -7.260 -6.291 9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.252 -6.212 9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.219 -7.546 9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.257 -7.620 7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.869 -8.224 7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.051 -5.616 6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.405 -6.656 6.089 1.00 0.00 H new ATOM 902 N GLU A 64 -6.363 -4.684 11.398 1.00 0.00 N ATOM 903 CA GLU A 64 -6.093 -3.583 12.322 1.00 0.00 C ATOM 904 C GLU A 64 -4.801 -3.826 13.107 1.00 0.00 C ATOM 905 O GLU A 64 -4.659 -3.372 14.246 1.00 0.00 O ATOM 906 CB GLU A 64 -7.270 -3.411 13.288 1.00 0.00 C ATOM 907 CG GLU A 64 -8.369 -2.505 12.758 1.00 0.00 C ATOM 908 CD GLU A 64 -8.328 -1.122 13.377 1.00 0.00 C ATOM 909 OE1 GLU A 64 -8.883 -0.949 14.483 1.00 0.00 O ATOM 910 OE2 GLU A 64 -7.736 -0.213 12.759 1.00 0.00 O ATOM 0 H GLU A 64 -6.796 -5.499 11.832 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.969 -2.671 11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.694 -4.391 13.508 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.899 -3.005 14.229 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.274 -2.418 11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.339 -2.960 12.957 1.00 0.00 H new ATOM 917 N GLY A 65 -3.857 -4.542 12.491 1.00 0.00 N ATOM 918 CA GLY A 65 -2.594 -4.828 13.145 1.00 0.00 C ATOM 919 C GLY A 65 -1.418 -4.760 12.189 1.00 0.00 C ATOM 920 O GLY A 65 -1.316 -3.829 11.387 1.00 0.00 O ATOM 0 H GLY A 65 -3.948 -4.927 11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.440 -4.118 13.957 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.637 -5.821 13.593 1.00 0.00 H new ATOM 924 N GLN A 66 -0.532 -5.751 12.273 1.00 0.00 N ATOM 925 CA GLN A 66 0.644 -5.809 11.409 1.00 0.00 C ATOM 926 C GLN A 66 0.326 -6.537 10.107 1.00 0.00 C ATOM 927 O GLN A 66 -0.441 -7.502 10.094 1.00 0.00 O ATOM 928 CB GLN A 66 1.799 -6.514 12.126 1.00 0.00 C ATOM 929 CG GLN A 66 2.563 -5.616 13.086 1.00 0.00 C ATOM 930 CD GLN A 66 1.938 -5.566 14.466 1.00 0.00 C ATOM 931 OE1 GLN A 66 2.307 -6.332 15.355 1.00 0.00 O ATOM 932 NE2 GLN A 66 0.984 -4.660 14.651 1.00 0.00 N ATOM 0 H GLN A 66 -0.607 -6.526 12.932 1.00 0.00 H new ATOM 0 HA GLN A 66 0.940 -4.786 11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.405 -7.368 12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.491 -6.907 11.381 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.590 -5.972 13.170 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.608 -4.607 12.675 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.709 -4.045 13.885 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.526 -4.580 15.559 1.00 0.00 H new ATOM 941 N TRP A 67 0.925 -6.074 9.013 1.00 0.00 N ATOM 942 CA TRP A 67 0.709 -6.689 7.708 1.00 0.00 C ATOM 943 C TRP A 67 1.956 -7.438 7.248 1.00 0.00 C ATOM 944 O TRP A 67 2.968 -6.825 6.907 1.00 0.00 O ATOM 945 CB TRP A 67 0.317 -5.634 6.667 1.00 0.00 C ATOM 946 CG TRP A 67 -0.247 -6.227 5.409 1.00 0.00 C ATOM 947 CD1 TRP A 67 -1.163 -7.237 5.320 1.00 0.00 C ATOM 948 CD2 TRP A 67 0.071 -5.855 4.063 1.00 0.00 C ATOM 949 NE1 TRP A 67 -1.433 -7.514 4.003 1.00 0.00 N ATOM 950 CE2 TRP A 67 -0.691 -6.677 3.211 1.00 0.00 C ATOM 951 CE3 TRP A 67 0.921 -4.904 3.495 1.00 0.00 C ATOM 952 CZ2 TRP A 67 -0.623 -6.578 1.823 1.00 0.00 C ATOM 953 CZ3 TRP A 67 0.988 -4.807 2.119 1.00 0.00 C ATOM 954 CH2 TRP A 67 0.219 -5.638 1.296 1.00 0.00 C ATOM 0 H TRP A 67 1.562 -5.277 9.005 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.109 -7.402 7.807 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.418 -4.957 7.103 1.00 0.00 H new ATOM 0 HB3 TRP A 67 1.193 -5.035 6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.609 -7.743 6.163 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.081 -8.227 3.668 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.516 -4.255 4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -1.214 -7.220 1.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.645 -4.077 1.670 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.292 -5.535 0.223 1.00 0.00 H new ATOM 965 N LEU A 68 1.867 -8.769 7.234 1.00 0.00 N ATOM 966 CA LEU A 68 2.977 -9.615 6.802 1.00 0.00 C ATOM 967 C LEU A 68 2.582 -10.393 5.552 1.00 0.00 C ATOM 968 O LEU A 68 1.785 -11.329 5.627 1.00 0.00 O ATOM 969 CB LEU A 68 3.390 -10.613 7.899 1.00 0.00 C ATOM 970 CG LEU A 68 4.156 -10.036 9.101 1.00 0.00 C ATOM 971 CD1 LEU A 68 5.617 -9.806 8.744 1.00 0.00 C ATOM 972 CD2 LEU A 68 3.517 -8.746 9.596 1.00 0.00 C ATOM 0 H LEU A 68 1.034 -9.284 7.518 1.00 0.00 H new ATOM 0 HA LEU A 68 3.823 -8.962 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.490 -11.102 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.007 -11.387 7.441 1.00 0.00 H new ATOM 0 HG LEU A 68 4.106 -10.765 9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.143 -9.397 9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.074 -10.752 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.682 -9.103 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.082 -8.363 10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.522 -8.007 8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.490 -8.943 9.902 1.00 0.00 H new ATOM 984 N CYS A 69 3.138 -10.004 4.407 1.00 0.00 N ATOM 985 CA CYS A 69 2.843 -10.674 3.145 1.00 0.00 C ATOM 986 C CYS A 69 3.187 -12.164 3.233 1.00 0.00 C ATOM 987 O CYS A 69 3.951 -12.586 4.103 1.00 0.00 O ATOM 988 CB CYS A 69 3.605 -10.008 1.990 1.00 0.00 C ATOM 989 SG CYS A 69 5.420 -10.128 2.102 1.00 0.00 S ATOM 0 H CYS A 69 3.795 -9.228 4.328 1.00 0.00 H new ATOM 0 HA CYS A 69 1.775 -10.582 2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.282 -10.460 1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.326 -8.955 1.949 1.00 0.00 H new ATOM 994 N ARG A 70 2.598 -12.956 2.340 1.00 0.00 N ATOM 995 CA ARG A 70 2.810 -14.406 2.316 1.00 0.00 C ATOM 996 C ARG A 70 4.289 -14.806 2.382 1.00 0.00 C ATOM 997 O ARG A 70 4.607 -15.903 2.837 1.00 0.00 O ATOM 998 CB ARG A 70 2.182 -15.005 1.057 1.00 0.00 C ATOM 999 CG ARG A 70 1.353 -16.251 1.323 1.00 0.00 C ATOM 1000 CD ARG A 70 -0.132 -15.970 1.166 1.00 0.00 C ATOM 1001 NE ARG A 70 -0.827 -15.938 2.454 1.00 0.00 N ATOM 1002 CZ ARG A 70 -2.151 -16.058 2.595 1.00 0.00 C ATOM 1003 NH1 ARG A 70 -2.932 -16.229 1.530 1.00 0.00 N ATOM 1004 NH2 ARG A 70 -2.696 -16.006 3.805 1.00 0.00 N ATOM 0 H ARG A 70 1.964 -12.616 1.616 1.00 0.00 H new ATOM 0 HA ARG A 70 2.330 -14.801 3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.551 -14.253 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.973 -15.250 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.650 -17.042 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.552 -16.614 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.268 -15.015 0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.580 -16.735 0.532 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.266 -15.816 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.521 -16.269 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.941 -16.320 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.105 -15.875 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.706 -16.097 3.914 1.00 0.00 H new ATOM 1018 N HIS A 71 5.191 -13.934 1.929 1.00 0.00 N ATOM 1019 CA HIS A 71 6.614 -14.248 1.942 1.00 0.00 C ATOM 1020 C HIS A 71 7.181 -14.191 3.354 1.00 0.00 C ATOM 1021 O HIS A 71 7.915 -15.087 3.773 1.00 0.00 O ATOM 1022 CB HIS A 71 7.377 -13.279 1.035 1.00 0.00 C ATOM 1023 CG HIS A 71 8.745 -13.760 0.661 1.00 0.00 C ATOM 1024 ND1 HIS A 71 8.963 -14.838 -0.170 1.00 0.00 N ATOM 1025 CD2 HIS A 71 9.970 -13.302 1.011 1.00 0.00 C ATOM 1026 CE1 HIS A 71 10.263 -15.023 -0.315 1.00 0.00 C ATOM 1027 NE2 HIS A 71 10.896 -14.104 0.391 1.00 0.00 N ATOM 0 H HIS A 71 4.961 -13.014 1.553 1.00 0.00 H new ATOM 0 HA HIS A 71 6.735 -15.265 1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.798 -13.113 0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.464 -12.316 1.538 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.180 -12.462 1.657 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.729 -15.795 -0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.909 -14.006 0.464 1.00 0.00 H new ATOM 1036 N CYS A 72 6.846 -13.130 4.077 1.00 0.00 N ATOM 1037 CA CYS A 72 7.336 -12.953 5.434 1.00 0.00 C ATOM 1038 C CYS A 72 6.512 -13.738 6.446 1.00 0.00 C ATOM 1039 O CYS A 72 7.071 -14.420 7.305 1.00 0.00 O ATOM 1040 CB CYS A 72 7.367 -11.481 5.789 1.00 0.00 C ATOM 1041 SG CYS A 72 5.763 -10.640 5.686 1.00 0.00 S ATOM 0 H CYS A 72 6.238 -12.381 3.745 1.00 0.00 H new ATOM 0 HA CYS A 72 8.351 -13.349 5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 72 7.753 -11.374 6.803 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.069 -10.976 5.126 1.00 0.00 H new ATOM 1046 N LEU A 73 5.183 -13.655 6.339 1.00 0.00 N ATOM 1047 CA LEU A 73 4.307 -14.389 7.249 1.00 0.00 C ATOM 1048 C LEU A 73 4.598 -15.886 7.159 1.00 0.00 C ATOM 1049 O LEU A 73 4.352 -16.629 8.108 1.00 0.00 O ATOM 1050 CB LEU A 73 2.828 -14.109 6.947 1.00 0.00 C ATOM 1051 CG LEU A 73 2.251 -14.817 5.715 1.00 0.00 C ATOM 1052 CD1 LEU A 73 1.881 -16.259 6.038 1.00 0.00 C ATOM 1053 CD2 LEU A 73 1.037 -14.061 5.194 1.00 0.00 C ATOM 0 H LEU A 73 4.697 -13.094 5.640 1.00 0.00 H new ATOM 0 HA LEU A 73 4.507 -14.048 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.238 -14.397 7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.701 -13.034 6.818 1.00 0.00 H new ATOM 0 HG LEU A 73 3.017 -14.831 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.474 -16.738 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.770 -16.798 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.134 -16.274 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.637 -14.574 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.274 -14.019 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.330 -13.048 4.918 1.00 0.00 H new ATOM 1065 N GLN A 74 5.147 -16.315 6.014 1.00 0.00 N ATOM 1066 CA GLN A 74 5.500 -17.718 5.812 1.00 0.00 C ATOM 1067 C GLN A 74 6.865 -18.010 6.436 1.00 0.00 C ATOM 1068 O GLN A 74 7.079 -19.079 7.010 1.00 0.00 O ATOM 1069 CB GLN A 74 5.520 -18.060 4.322 1.00 0.00 C ATOM 1070 CG GLN A 74 5.869 -19.511 4.031 1.00 0.00 C ATOM 1071 CD GLN A 74 4.640 -20.395 3.928 1.00 0.00 C ATOM 1072 OE1 GLN A 74 3.651 -20.029 3.294 1.00 0.00 O ATOM 1073 NE2 GLN A 74 4.695 -21.566 4.553 1.00 0.00 N ATOM 0 H GLN A 74 5.354 -15.710 5.219 1.00 0.00 H new ATOM 0 HA GLN A 74 4.746 -18.337 6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.542 -17.838 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.241 -17.415 3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.431 -19.566 3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.520 -19.890 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.535 -21.830 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.897 -22.201 4.518 1.00 0.00 H new ATOM 1082 N SER A 75 7.780 -17.040 6.325 1.00 0.00 N ATOM 1083 CA SER A 75 9.126 -17.172 6.886 1.00 0.00 C ATOM 1084 C SER A 75 9.061 -17.443 8.388 1.00 0.00 C ATOM 1085 O SER A 75 9.784 -18.297 8.899 1.00 0.00 O ATOM 1086 CB SER A 75 9.943 -15.900 6.631 1.00 0.00 C ATOM 1087 OG SER A 75 10.569 -15.941 5.360 1.00 0.00 O ATOM 0 H SER A 75 7.610 -16.153 5.850 1.00 0.00 H new ATOM 0 HA SER A 75 9.613 -18.014 6.394 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.292 -15.028 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.699 -15.788 7.408 1.00 0.00 H new ATOM 0 HG SER A 75 9.922 -15.688 4.668 1.00 0.00 H new ATOM 1093 N ARG A 76 8.189 -16.709 9.086 1.00 0.00 N ATOM 1094 CA ARG A 76 8.025 -16.869 10.535 1.00 0.00 C ATOM 1095 C ARG A 76 6.867 -17.819 10.883 1.00 0.00 C ATOM 1096 O ARG A 76 6.680 -18.162 12.051 1.00 0.00 O ATOM 1097 CB ARG A 76 7.798 -15.507 11.206 1.00 0.00 C ATOM 1098 CG ARG A 76 6.561 -14.772 10.708 1.00 0.00 C ATOM 1099 CD ARG A 76 5.440 -14.799 11.737 1.00 0.00 C ATOM 1100 NE ARG A 76 4.796 -13.493 11.879 1.00 0.00 N ATOM 1101 CZ ARG A 76 5.307 -12.479 12.586 1.00 0.00 C ATOM 1102 NH1 ARG A 76 6.472 -12.613 13.217 1.00 0.00 N ATOM 1103 NH2 ARG A 76 4.651 -11.325 12.658 1.00 0.00 N ATOM 0 H ARG A 76 7.586 -15.998 8.672 1.00 0.00 H new ATOM 0 HA ARG A 76 8.947 -17.311 10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.713 -15.653 12.283 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.673 -14.880 11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.819 -13.738 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.215 -15.228 9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.696 -15.540 11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.840 -15.113 12.701 1.00 0.00 H new ATOM 0 HE ARG A 76 3.902 -13.347 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.983 -13.494 13.164 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.854 -11.834 13.754 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.760 -11.214 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.039 -10.551 13.197 1.00 0.00 H new ATOM 1117 N ALA A 77 6.096 -18.243 9.871 1.00 0.00 N ATOM 1118 CA ALA A 77 4.966 -19.152 10.088 1.00 0.00 C ATOM 1119 C ALA A 77 5.419 -20.443 10.771 1.00 0.00 C ATOM 1120 O ALA A 77 4.842 -20.855 11.778 1.00 0.00 O ATOM 1121 CB ALA A 77 4.271 -19.469 8.767 1.00 0.00 C ATOM 0 H ALA A 77 6.235 -17.971 8.898 1.00 0.00 H new ATOM 0 HA ALA A 77 4.256 -18.651 10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.435 -20.145 8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.901 -18.546 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.980 -19.943 8.088 1.00 0.00 H new ATOM 1127 N ARG A 78 6.459 -21.073 10.221 1.00 0.00 N ATOM 1128 CA ARG A 78 6.990 -22.314 10.784 1.00 0.00 C ATOM 1129 C ARG A 78 7.716 -22.059 12.109 1.00 0.00 C ATOM 1130 O ARG A 78 7.395 -22.682 13.121 1.00 0.00 O ATOM 1131 CB ARG A 78 7.932 -23.005 9.792 1.00 0.00 C ATOM 1132 CG ARG A 78 7.376 -24.307 9.238 1.00 0.00 C ATOM 1133 CD ARG A 78 8.466 -25.354 9.066 1.00 0.00 C ATOM 1134 NE ARG A 78 8.802 -26.011 10.332 1.00 0.00 N ATOM 1135 CZ ARG A 78 9.487 -27.155 10.424 1.00 0.00 C ATOM 1136 NH1 ARG A 78 9.919 -27.775 9.329 1.00 0.00 N ATOM 1137 NH2 ARG A 78 9.744 -27.680 11.618 1.00 0.00 N ATOM 0 H ARG A 78 6.948 -20.745 9.389 1.00 0.00 H new ATOM 0 HA ARG A 78 6.143 -22.972 10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.138 -22.326 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.883 -23.205 10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.606 -24.689 9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.897 -24.119 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.139 -26.103 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.359 -24.883 8.654 1.00 0.00 H new ATOM 0 HE ARG A 78 8.494 -25.567 11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.728 -27.378 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.441 -28.648 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.419 -27.210 12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.267 -28.553 11.689 1.00 0.00 H new ATOM 1151 N PRO A 79 8.711 -21.141 12.119 1.00 0.00 N ATOM 1152 CA PRO A 79 9.483 -20.810 13.329 1.00 0.00 C ATOM 1153 C PRO A 79 8.601 -20.397 14.511 1.00 0.00 C ATOM 1154 O PRO A 79 7.407 -20.139 14.351 1.00 0.00 O ATOM 1155 CB PRO A 79 10.345 -19.625 12.888 1.00 0.00 C ATOM 1156 CG PRO A 79 10.472 -19.772 11.415 1.00 0.00 C ATOM 1157 CD PRO A 79 9.170 -20.360 10.951 1.00 0.00 C ATOM 0 HA PRO A 79 10.048 -21.672 13.684 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.877 -18.676 13.152 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.321 -19.644 13.373 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.658 -18.809 10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.309 -20.421 11.157 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.453 -19.585 10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.305 -20.992 10.073 1.00 0.00 H new ATOM 1165 N ALA A 80 9.209 -20.331 15.698 1.00 0.00 N ATOM 1166 CA ALA A 80 8.495 -19.946 16.913 1.00 0.00 C ATOM 1167 C ALA A 80 9.441 -19.304 17.925 1.00 0.00 C ATOM 1168 O ALA A 80 9.078 -19.075 19.080 1.00 0.00 O ATOM 1169 CB ALA A 80 7.802 -21.156 17.526 1.00 0.00 C ATOM 0 H ALA A 80 10.197 -20.540 15.841 1.00 0.00 H new ATOM 0 HA ALA A 80 7.739 -19.209 16.643 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.274 -20.854 18.430 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.090 -21.568 16.811 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.545 -21.913 17.776 1.00 0.00 H new TER 1175 ALA A 80 HETATM 1176 ZN ZN A 89 -2.173 -0.982 -8.140 1.00 1.00 ZN HETATM 1177 ZN ZN A 90 6.163 -9.118 4.026 1.00 1.00 ZN