USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 MET CE :methyl 180:sc= -0.26 (180deg=-0.26) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0.0116 (180deg=0.0131) USER MOD Set 1.3: A 88 THR OG1 : rot 35:sc= 1.28 USER MOD Set 2.1: A 7 ASN : amide:sc= -0.163 K(o=1.2,f=0.37) USER MOD Set 2.2: A 62 SER OG : rot 76:sc= 1.33 USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.867 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 18 SER OG : rot -128:sc= 0.899 USER MOD Single : A 19 SER OG : rot 180:sc= 0.18 USER MOD Single : A 48 TYR OH : rot 154:sc= 1.28 USER MOD Single : A 49 LYS NZ :NH3+ -108:sc= 0.96 (180deg=0.107) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc=-0.00555 (180deg=-0.0572) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 0.214 (180deg=0.107) USER MOD Single : A 54 CYS SG : rot 70:sc= -3.23! USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0.111 (180deg=-0.0984) USER MOD Single : A 58 ASN : amide:sc= 1.59 K(o=1.6,f=-8.3!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 0.909 USER MOD Single : A 64 ASN : amide:sc= 1.1 K(o=1.1,f=-0.088) USER MOD Single : A 67 SER OG : rot 71:sc= 1.24 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.239 USER MOD Single : A 76 THR OG1 : rot 117:sc= 1.22 USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0242) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= -0.0109 (180deg=-0.128) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= 0.643 (180deg=0.261) USER MOD Single : A 97 THR OG1 : rot -170:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.631 K(o=0.63,f=0) USER MOD Single : A 101 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= -0.298 (180deg=-1.3) USER MOD Single : A 105 TYR OH : rot -135:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.351 -1.163 -9.229 1.00 0.00 N ATOM 36 CA ALA A 3 -2.566 -0.717 -8.085 1.00 0.00 C ATOM 37 C ALA A 3 -1.233 -0.198 -8.618 1.00 0.00 C ATOM 38 O ALA A 3 -0.524 -0.940 -9.300 1.00 0.00 O ATOM 39 CB ALA A 3 -2.307 -1.879 -7.133 1.00 0.00 C ATOM 0 HA ALA A 3 -3.104 0.060 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.720 -1.530 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.257 -2.277 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.758 -2.662 -7.656 1.00 0.00 H new ATOM 45 N GLY A 4 -0.884 1.056 -8.329 1.00 0.00 N ATOM 46 CA GLY A 4 0.351 1.617 -8.846 1.00 0.00 C ATOM 47 C GLY A 4 1.581 1.006 -8.173 1.00 0.00 C ATOM 48 O GLY A 4 1.485 0.342 -7.138 1.00 0.00 O ATOM 0 H GLY A 4 -1.434 1.689 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.404 1.448 -9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.352 2.696 -8.693 1.00 0.00 H new ATOM 52 N ALA A 5 2.747 1.256 -8.769 1.00 0.00 N ATOM 53 CA ALA A 5 4.044 0.873 -8.241 1.00 0.00 C ATOM 54 C ALA A 5 4.763 2.180 -7.929 1.00 0.00 C ATOM 55 O ALA A 5 4.930 3.006 -8.825 1.00 0.00 O ATOM 56 CB ALA A 5 4.814 0.043 -9.267 1.00 0.00 C ATOM 0 H ALA A 5 2.810 1.747 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 5 3.956 0.252 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.784 -0.236 -8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.248 -0.858 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.960 0.630 -10.174 1.00 0.00 H new ATOM 62 N VAL A 6 5.127 2.393 -6.666 1.00 0.00 N ATOM 63 CA VAL A 6 5.812 3.595 -6.214 1.00 0.00 C ATOM 64 C VAL A 6 7.239 3.249 -5.804 1.00 0.00 C ATOM 65 O VAL A 6 7.579 2.092 -5.560 1.00 0.00 O ATOM 66 CB VAL A 6 5.050 4.273 -5.054 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.960 5.200 -5.589 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.422 3.284 -4.067 1.00 0.00 C ATOM 0 H VAL A 6 4.950 1.722 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 6 5.844 4.308 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 6 5.802 4.843 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.437 5.666 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.412 5.973 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.252 4.623 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.904 3.834 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.711 2.647 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.203 2.667 -3.624 1.00 0.00 H new ATOM 78 N ASN A 7 8.070 4.288 -5.743 1.00 0.00 N ATOM 79 CA ASN A 7 9.449 4.249 -5.296 1.00 0.00 C ATOM 80 C ASN A 7 9.652 5.484 -4.431 1.00 0.00 C ATOM 81 O ASN A 7 8.765 6.336 -4.374 1.00 0.00 O ATOM 82 CB ASN A 7 10.396 4.227 -6.503 1.00 0.00 C ATOM 83 CG ASN A 7 11.876 4.349 -6.154 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.542 5.290 -6.571 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.382 3.425 -5.345 1.00 0.00 N ATOM 0 H ASN A 7 7.778 5.225 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 7 9.668 3.349 -4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.241 3.298 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.126 5.043 -7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.357 3.484 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.796 2.656 -5.019 1.00 0.00 H new ATOM 92 N ASP A 8 10.805 5.572 -3.767 1.00 0.00 N ATOM 93 CA ASP A 8 11.178 6.670 -2.875 1.00 0.00 C ATOM 94 C ASP A 8 10.733 8.022 -3.435 1.00 0.00 C ATOM 95 O ASP A 8 10.186 8.849 -2.709 1.00 0.00 O ATOM 96 CB ASP A 8 12.699 6.694 -2.655 1.00 0.00 C ATOM 97 CG ASP A 8 13.272 5.480 -1.928 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.632 4.990 -0.971 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.390 5.077 -2.315 1.00 0.00 O ATOM 0 H ASP A 8 11.529 4.857 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 8 10.672 6.500 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.189 6.780 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.954 7.590 -2.088 1.00 0.00 H new ATOM 104 N ASP A 9 10.982 8.234 -4.729 1.00 0.00 N ATOM 105 CA ASP A 9 10.589 9.446 -5.428 1.00 0.00 C ATOM 106 C ASP A 9 9.064 9.565 -5.504 1.00 0.00 C ATOM 107 O ASP A 9 8.463 10.316 -4.744 1.00 0.00 O ATOM 108 CB ASP A 9 11.207 9.447 -6.831 1.00 0.00 C ATOM 109 CG ASP A 9 10.725 10.653 -7.631 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.063 11.780 -7.211 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.013 10.419 -8.631 1.00 0.00 O ATOM 0 H ASP A 9 11.467 7.559 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 9 10.957 10.310 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.294 9.466 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.940 8.528 -7.352 1.00 0.00 H new ATOM 116 N THR A 10 8.437 8.817 -6.415 1.00 0.00 N ATOM 117 CA THR A 10 7.006 8.868 -6.704 1.00 0.00 C ATOM 118 C THR A 10 6.145 8.853 -5.437 1.00 0.00 C ATOM 119 O THR A 10 5.152 9.576 -5.379 1.00 0.00 O ATOM 120 CB THR A 10 6.655 7.717 -7.657 1.00 0.00 C ATOM 121 OG1 THR A 10 7.280 6.519 -7.238 1.00 0.00 O ATOM 122 CG2 THR A 10 7.145 8.039 -9.073 1.00 0.00 C ATOM 0 H THR A 10 8.931 8.136 -6.991 1.00 0.00 H new ATOM 0 HA THR A 10 6.780 9.818 -7.187 1.00 0.00 H new ATOM 0 HB THR A 10 5.572 7.593 -7.649 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.179 5.837 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.891 7.216 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.667 8.953 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.226 8.177 -9.061 1.00 0.00 H new ATOM 130 N PHE A 11 6.535 8.070 -4.424 1.00 0.00 N ATOM 131 CA PHE A 11 5.901 8.005 -3.107 1.00 0.00 C ATOM 132 C PHE A 11 5.485 9.398 -2.635 1.00 0.00 C ATOM 133 O PHE A 11 4.378 9.633 -2.162 1.00 0.00 O ATOM 134 CB PHE A 11 6.926 7.431 -2.126 1.00 0.00 C ATOM 135 CG PHE A 11 6.464 7.271 -0.692 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.807 6.093 -0.295 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.791 8.245 0.271 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.499 5.876 1.058 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.459 8.039 1.622 1.00 0.00 C ATOM 140 CZ PHE A 11 5.813 6.854 2.015 1.00 0.00 C ATOM 0 H PHE A 11 7.333 7.440 -4.505 1.00 0.00 H new ATOM 0 HA PHE A 11 5.009 7.381 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.244 6.455 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.805 8.076 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.538 5.352 -1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.297 9.151 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.021 4.957 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.700 8.792 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.558 6.696 3.053 1.00 0.00 H new ATOM 150 N LYS A 12 6.403 10.340 -2.782 1.00 0.00 N ATOM 151 CA LYS A 12 6.171 11.733 -2.436 1.00 0.00 C ATOM 152 C LYS A 12 4.859 12.271 -3.016 1.00 0.00 C ATOM 153 O LYS A 12 4.001 12.778 -2.297 1.00 0.00 O ATOM 154 CB LYS A 12 7.314 12.580 -2.985 1.00 0.00 C ATOM 155 CG LYS A 12 8.633 12.284 -2.259 1.00 0.00 C ATOM 156 CD LYS A 12 9.789 13.018 -2.945 1.00 0.00 C ATOM 157 CE LYS A 12 11.122 12.621 -2.301 1.00 0.00 C ATOM 158 NZ LYS A 12 12.259 13.257 -2.989 1.00 0.00 N ATOM 0 H LYS A 12 7.338 10.158 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 12 6.112 11.790 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.433 12.386 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.068 13.637 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.561 12.596 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.823 11.211 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.804 12.776 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.644 14.095 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.121 12.911 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.235 11.537 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.147 12.969 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.272 12.960 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.162 14.291 -2.937 1.00 0.00 H new ATOM 172 N ASN A 13 4.709 12.185 -4.334 1.00 0.00 N ATOM 173 CA ASN A 13 3.566 12.742 -5.033 1.00 0.00 C ATOM 174 C ASN A 13 2.332 11.858 -4.905 1.00 0.00 C ATOM 175 O ASN A 13 1.207 12.346 -4.891 1.00 0.00 O ATOM 176 CB ASN A 13 3.921 12.870 -6.516 1.00 0.00 C ATOM 177 CG ASN A 13 5.040 13.878 -6.763 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.080 13.527 -7.309 1.00 0.00 O ATOM 179 ND2 ASN A 13 4.855 15.136 -6.367 1.00 0.00 N ATOM 0 H ASN A 13 5.382 11.724 -4.946 1.00 0.00 H new ATOM 0 HA ASN A 13 3.335 13.711 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.223 11.895 -6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.035 13.172 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.587 15.830 -6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.981 15.405 -5.915 1.00 0.00 H new ATOM 186 N VAL A 14 2.565 10.550 -4.853 1.00 0.00 N ATOM 187 CA VAL A 14 1.516 9.538 -4.958 1.00 0.00 C ATOM 188 C VAL A 14 0.953 9.095 -3.604 1.00 0.00 C ATOM 189 O VAL A 14 -0.192 8.645 -3.544 1.00 0.00 O ATOM 190 CB VAL A 14 2.097 8.354 -5.758 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.115 7.186 -5.897 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.487 8.799 -7.178 1.00 0.00 C ATOM 0 H VAL A 14 3.499 10.157 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 14 0.658 9.968 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 14 2.967 8.018 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.582 6.384 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.847 6.817 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.217 7.525 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.895 7.950 -7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.605 9.176 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.238 9.587 -7.119 1.00 0.00 H new ATOM 202 N VAL A 15 1.735 9.203 -2.529 1.00 0.00 N ATOM 203 CA VAL A 15 1.390 8.715 -1.196 1.00 0.00 C ATOM 204 C VAL A 15 1.317 9.854 -0.185 1.00 0.00 C ATOM 205 O VAL A 15 0.356 9.946 0.579 1.00 0.00 O ATOM 206 CB VAL A 15 2.433 7.673 -0.757 1.00 0.00 C ATOM 207 CG1 VAL A 15 2.073 7.091 0.613 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.576 6.578 -1.823 1.00 0.00 C ATOM 0 H VAL A 15 2.653 9.646 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 15 0.403 8.255 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 15 3.401 8.164 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.823 6.356 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.043 7.892 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.096 6.610 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.318 5.848 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.616 6.081 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.896 7.026 -2.764 1.00 0.00 H new ATOM 218 N LEU A 16 2.362 10.683 -0.124 1.00 0.00 N ATOM 219 CA LEU A 16 2.372 11.783 0.824 1.00 0.00 C ATOM 220 C LEU A 16 1.415 12.874 0.347 1.00 0.00 C ATOM 221 O LEU A 16 0.394 13.131 0.978 1.00 0.00 O ATOM 222 CB LEU A 16 3.796 12.317 1.003 1.00 0.00 C ATOM 223 CG LEU A 16 4.734 11.343 1.738 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.116 11.991 1.863 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.240 10.960 3.141 1.00 0.00 C ATOM 0 H LEU A 16 3.194 10.611 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 16 2.031 11.432 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.216 12.542 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.756 13.256 1.556 1.00 0.00 H new ATOM 0 HG LEU A 16 4.767 10.426 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.791 11.311 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.509 12.204 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.033 12.920 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.949 10.272 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.155 11.857 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.265 10.479 3.065 1.00 0.00 H new ATOM 237 N GLU A 17 1.679 13.454 -0.820 1.00 0.00 N ATOM 238 CA GLU A 17 0.931 14.593 -1.357 1.00 0.00 C ATOM 239 C GLU A 17 -0.428 14.166 -1.955 1.00 0.00 C ATOM 240 O GLU A 17 -0.910 14.766 -2.913 1.00 0.00 O ATOM 241 CB GLU A 17 1.833 15.227 -2.433 1.00 0.00 C ATOM 242 CG GLU A 17 1.504 16.672 -2.834 1.00 0.00 C ATOM 243 CD GLU A 17 2.473 17.189 -3.901 1.00 0.00 C ATOM 244 OE1 GLU A 17 2.866 16.378 -4.772 1.00 0.00 O ATOM 245 OE2 GLU A 17 2.809 18.390 -3.825 1.00 0.00 O ATOM 0 H GLU A 17 2.432 13.142 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 17 0.692 15.302 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.863 15.197 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.787 14.605 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.483 16.723 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.551 17.315 -1.955 1.00 0.00 H new ATOM 252 N SER A 18 -1.066 13.142 -1.386 1.00 0.00 N ATOM 253 CA SER A 18 -2.334 12.605 -1.849 1.00 0.00 C ATOM 254 C SER A 18 -3.512 13.291 -1.151 1.00 0.00 C ATOM 255 O SER A 18 -3.527 13.417 0.077 1.00 0.00 O ATOM 256 CB SER A 18 -2.344 11.092 -1.611 1.00 0.00 C ATOM 257 OG SER A 18 -1.069 10.585 -1.944 1.00 0.00 O ATOM 0 H SER A 18 -0.700 12.654 -0.568 1.00 0.00 H new ATOM 0 HA SER A 18 -2.445 12.800 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.580 10.872 -0.570 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.113 10.616 -2.220 1.00 0.00 H new ATOM 0 HG SER A 18 -1.167 9.839 -2.572 1.00 0.00 H new ATOM 263 N SER A 19 -4.508 13.700 -1.942 1.00 0.00 N ATOM 264 CA SER A 19 -5.750 14.310 -1.496 1.00 0.00 C ATOM 265 C SER A 19 -6.652 13.183 -0.998 1.00 0.00 C ATOM 266 O SER A 19 -7.119 13.196 0.138 1.00 0.00 O ATOM 267 CB SER A 19 -6.365 15.028 -2.700 1.00 0.00 C ATOM 268 OG SER A 19 -6.185 14.216 -3.852 1.00 0.00 O ATOM 0 H SER A 19 -4.462 13.608 -2.957 1.00 0.00 H new ATOM 0 HA SER A 19 -5.605 15.032 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.426 15.213 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.891 15.999 -2.844 1.00 0.00 H new ATOM 0 HG SER A 19 -6.576 14.663 -4.632 1.00 0.00 H new ATOM 274 N VAL A 20 -6.846 12.181 -1.856 1.00 0.00 N ATOM 275 CA VAL A 20 -7.515 10.944 -1.484 1.00 0.00 C ATOM 276 C VAL A 20 -6.471 10.132 -0.712 1.00 0.00 C ATOM 277 O VAL A 20 -5.270 10.323 -0.924 1.00 0.00 O ATOM 278 CB VAL A 20 -7.982 10.148 -2.721 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.327 10.641 -3.265 1.00 0.00 C ATOM 280 CG2 VAL A 20 -6.943 10.111 -3.853 1.00 0.00 C ATOM 0 H VAL A 20 -6.541 12.209 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.408 11.152 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.108 9.128 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.608 10.047 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.091 10.539 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.241 11.688 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.337 9.535 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.727 11.128 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.027 9.644 -3.491 1.00 0.00 H new ATOM 290 N PRO A 21 -6.884 9.250 0.208 1.00 0.00 N ATOM 291 CA PRO A 21 -5.927 8.448 0.938 1.00 0.00 C ATOM 292 C PRO A 21 -5.350 7.403 -0.003 1.00 0.00 C ATOM 293 O PRO A 21 -5.912 7.154 -1.069 1.00 0.00 O ATOM 294 CB PRO A 21 -6.707 7.789 2.069 1.00 0.00 C ATOM 295 CG PRO A 21 -8.101 7.647 1.458 1.00 0.00 C ATOM 296 CD PRO A 21 -8.248 8.863 0.534 1.00 0.00 C ATOM 0 HA PRO A 21 -5.100 9.037 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.284 6.824 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.717 8.404 2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.197 6.714 0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.872 7.640 2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.813 8.612 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.781 9.674 1.030 1.00 0.00 H new ATOM 304 N VAL A 22 -4.262 6.757 0.413 1.00 0.00 N ATOM 305 CA VAL A 22 -3.608 5.746 -0.396 1.00 0.00 C ATOM 306 C VAL A 22 -2.860 4.699 0.440 1.00 0.00 C ATOM 307 O VAL A 22 -2.156 5.055 1.383 1.00 0.00 O ATOM 308 CB VAL A 22 -2.777 6.429 -1.493 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.293 6.061 -1.454 1.00 0.00 C ATOM 310 CG2 VAL A 22 -3.441 6.061 -2.825 1.00 0.00 C ATOM 0 H VAL A 22 -3.816 6.923 1.315 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.363 5.146 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.773 7.509 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.768 6.580 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.870 6.356 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.182 4.985 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.890 6.521 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.436 4.978 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.469 6.422 -2.831 1.00 0.00 H new ATOM 320 N LEU A 23 -3.034 3.409 0.088 1.00 0.00 N ATOM 321 CA LEU A 23 -2.477 2.254 0.773 1.00 0.00 C ATOM 322 C LEU A 23 -1.240 1.798 0.035 1.00 0.00 C ATOM 323 O LEU A 23 -1.337 1.364 -1.110 1.00 0.00 O ATOM 324 CB LEU A 23 -3.517 1.129 0.794 1.00 0.00 C ATOM 325 CG LEU A 23 -3.195 -0.103 1.649 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.514 -0.805 1.998 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.301 -1.101 0.892 1.00 0.00 C ATOM 0 H LEU A 23 -3.595 3.146 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.214 2.516 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.461 1.547 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.677 0.797 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.664 0.226 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.308 -1.685 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.154 -0.121 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.019 -1.108 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.094 -1.961 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.812 -1.434 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.363 -0.616 0.621 1.00 0.00 H new ATOM 339 N VAL A 24 -0.093 1.896 0.693 1.00 0.00 N ATOM 340 CA VAL A 24 1.169 1.439 0.171 1.00 0.00 C ATOM 341 C VAL A 24 1.474 0.097 0.813 1.00 0.00 C ATOM 342 O VAL A 24 1.675 0.019 2.030 1.00 0.00 O ATOM 343 CB VAL A 24 2.272 2.447 0.506 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.634 1.955 0.005 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.961 3.782 -0.164 1.00 0.00 C ATOM 0 H VAL A 24 -0.022 2.306 1.624 1.00 0.00 H new ATOM 0 HA VAL A 24 1.121 1.340 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 24 2.311 2.562 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.400 2.689 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.874 1.003 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.598 1.823 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.746 4.500 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.911 3.644 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.004 4.157 0.199 1.00 0.00 H new ATOM 355 N ASP A 25 1.491 -0.956 -0.002 1.00 0.00 N ATOM 356 CA ASP A 25 1.971 -2.243 0.457 1.00 0.00 C ATOM 357 C ASP A 25 3.480 -2.220 0.234 1.00 0.00 C ATOM 358 O ASP A 25 3.926 -2.085 -0.908 1.00 0.00 O ATOM 359 CB ASP A 25 1.311 -3.397 -0.298 1.00 0.00 C ATOM 360 CG ASP A 25 1.968 -4.734 0.050 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.311 -4.914 1.239 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.124 -5.550 -0.884 1.00 0.00 O ATOM 0 H ASP A 25 1.180 -0.937 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 25 1.723 -2.406 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.250 -3.436 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.384 -3.222 -1.371 1.00 0.00 H new ATOM 367 N PHE A 26 4.279 -2.301 1.296 1.00 0.00 N ATOM 368 CA PHE A 26 5.723 -2.354 1.140 1.00 0.00 C ATOM 369 C PHE A 26 5.997 -3.801 0.746 1.00 0.00 C ATOM 370 O PHE A 26 5.748 -4.699 1.551 1.00 0.00 O ATOM 371 CB PHE A 26 6.429 -1.945 2.438 1.00 0.00 C ATOM 372 CG PHE A 26 6.402 -0.450 2.721 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.196 0.206 3.043 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.596 0.293 2.663 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.189 1.584 3.321 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.586 1.673 2.935 1.00 0.00 C ATOM 377 CZ PHE A 26 6.386 2.318 3.277 1.00 0.00 C ATOM 0 H PHE A 26 3.952 -2.331 2.262 1.00 0.00 H new ATOM 0 HA PHE A 26 6.103 -1.659 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.963 -2.469 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.467 -2.276 2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.273 -0.353 3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.523 -0.198 2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.262 2.079 3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.504 2.239 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.384 3.374 3.505 1.00 0.00 H new ATOM 387 N TRP A 27 6.414 -4.023 -0.506 1.00 0.00 N ATOM 388 CA TRP A 27 6.565 -5.354 -1.083 1.00 0.00 C ATOM 389 C TRP A 27 7.971 -5.591 -1.617 1.00 0.00 C ATOM 390 O TRP A 27 8.870 -4.768 -1.461 1.00 0.00 O ATOM 391 CB TRP A 27 5.550 -5.527 -2.227 1.00 0.00 C ATOM 392 CG TRP A 27 5.927 -4.837 -3.499 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.931 -3.505 -3.678 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.456 -5.403 -4.734 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.439 -3.189 -4.922 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.785 -4.330 -5.614 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.710 -6.711 -5.197 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.344 -4.545 -6.880 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.288 -6.935 -6.460 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.606 -5.857 -7.302 1.00 0.00 C ATOM 0 H TRP A 27 6.658 -3.271 -1.151 1.00 0.00 H new ATOM 0 HA TRP A 27 6.384 -6.083 -0.293 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.426 -6.591 -2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.582 -5.150 -1.897 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.586 -2.784 -2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.544 -2.240 -5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.457 -7.554 -4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.571 -3.709 -7.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.489 -7.945 -6.785 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.050 -6.037 -8.270 1.00 0.00 H new ATOM 411 N ALA A 28 8.150 -6.723 -2.294 1.00 0.00 N ATOM 412 CA ALA A 28 9.366 -7.097 -2.995 1.00 0.00 C ATOM 413 C ALA A 28 9.066 -8.374 -3.784 1.00 0.00 C ATOM 414 O ALA A 28 8.211 -9.146 -3.355 1.00 0.00 O ATOM 415 CB ALA A 28 10.504 -7.350 -2.004 1.00 0.00 C ATOM 0 H ALA A 28 7.419 -7.430 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 28 9.679 -6.293 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.406 -7.629 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.693 -6.444 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.225 -8.158 -1.328 1.00 0.00 H new ATOM 421 N PRO A 29 9.742 -8.638 -4.912 1.00 0.00 N ATOM 422 CA PRO A 29 9.509 -9.838 -5.702 1.00 0.00 C ATOM 423 C PRO A 29 9.824 -11.079 -4.873 1.00 0.00 C ATOM 424 O PRO A 29 9.076 -12.052 -4.887 1.00 0.00 O ATOM 425 CB PRO A 29 10.413 -9.711 -6.931 1.00 0.00 C ATOM 426 CG PRO A 29 11.515 -8.748 -6.487 1.00 0.00 C ATOM 427 CD PRO A 29 10.805 -7.839 -5.484 1.00 0.00 C ATOM 0 HA PRO A 29 8.468 -9.940 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.823 -10.677 -7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.866 -9.322 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.351 -9.277 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.918 -8.183 -7.327 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.494 -7.495 -4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.406 -6.951 -5.975 1.00 0.00 H new ATOM 435 N TRP A 30 10.924 -11.022 -4.120 1.00 0.00 N ATOM 436 CA TRP A 30 11.330 -12.099 -3.235 1.00 0.00 C ATOM 437 C TRP A 30 10.347 -12.264 -2.068 1.00 0.00 C ATOM 438 O TRP A 30 10.343 -13.307 -1.417 1.00 0.00 O ATOM 439 CB TRP A 30 12.761 -11.831 -2.742 1.00 0.00 C ATOM 440 CG TRP A 30 13.068 -10.467 -2.186 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.744 -9.491 -2.835 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.750 -9.913 -0.872 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.897 -8.391 -2.017 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.269 -8.585 -0.800 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.070 -10.397 0.268 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.081 -7.766 0.326 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.861 -9.579 1.393 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.329 -8.254 1.410 1.00 0.00 C ATOM 0 H TRP A 30 11.556 -10.222 -4.112 1.00 0.00 H new ATOM 0 HA TRP A 30 11.317 -13.041 -3.784 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.993 -12.567 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.442 -12.015 -3.573 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.111 -9.563 -3.848 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.406 -7.546 -2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.704 -11.413 0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.508 -6.775 0.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.336 -9.973 2.251 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.112 -7.613 2.252 1.00 0.00 H new ATOM 459 N CYS A 31 9.503 -11.267 -1.784 1.00 0.00 N ATOM 460 CA CYS A 31 8.584 -11.377 -0.660 1.00 0.00 C ATOM 461 C CYS A 31 7.365 -12.220 -1.036 1.00 0.00 C ATOM 462 O CYS A 31 6.338 -11.690 -1.451 1.00 0.00 O ATOM 463 CB CYS A 31 8.164 -9.997 -0.168 1.00 0.00 C ATOM 464 SG CYS A 31 6.887 -10.077 1.101 1.00 0.00 S ATOM 0 H CYS A 31 9.441 -10.394 -2.308 1.00 0.00 H new ATOM 0 HA CYS A 31 9.102 -11.881 0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.035 -9.476 0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.798 -9.410 -1.011 1.00 0.00 H new ATOM 469 N GLY A 32 7.473 -13.539 -0.864 1.00 0.00 N ATOM 470 CA GLY A 32 6.388 -14.494 -1.080 1.00 0.00 C ATOM 471 C GLY A 32 5.017 -13.992 -0.597 1.00 0.00 C ATOM 472 O GLY A 32 4.111 -13.846 -1.422 1.00 0.00 O ATOM 0 H GLY A 32 8.341 -13.982 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.326 -14.726 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.627 -15.424 -0.564 1.00 0.00 H new ATOM 476 N PRO A 33 4.836 -13.709 0.709 1.00 0.00 N ATOM 477 CA PRO A 33 3.560 -13.238 1.229 1.00 0.00 C ATOM 478 C PRO A 33 3.095 -11.924 0.590 1.00 0.00 C ATOM 479 O PRO A 33 1.910 -11.617 0.654 1.00 0.00 O ATOM 480 CB PRO A 33 3.728 -13.121 2.746 1.00 0.00 C ATOM 481 CG PRO A 33 5.238 -13.066 2.964 1.00 0.00 C ATOM 482 CD PRO A 33 5.783 -13.888 1.802 1.00 0.00 C ATOM 0 HA PRO A 33 2.769 -13.945 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.239 -12.226 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.284 -13.973 3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.611 -12.042 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.522 -13.490 3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.779 -13.548 1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.871 -14.940 2.075 1.00 0.00 H new ATOM 490 N CYS A 34 3.986 -11.140 -0.022 1.00 0.00 N ATOM 491 CA CYS A 34 3.589 -9.923 -0.722 1.00 0.00 C ATOM 492 C CYS A 34 3.114 -10.314 -2.121 1.00 0.00 C ATOM 493 O CYS A 34 2.031 -9.941 -2.569 1.00 0.00 O ATOM 494 CB CYS A 34 4.750 -8.933 -0.846 1.00 0.00 C ATOM 495 SG CYS A 34 5.656 -8.463 0.644 1.00 0.00 S ATOM 0 H CYS A 34 4.988 -11.330 -0.045 1.00 0.00 H new ATOM 0 HA CYS A 34 2.797 -9.435 -0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.468 -9.353 -1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.359 -8.021 -1.296 1.00 0.00 H new ATOM 500 N ARG A 35 3.949 -11.095 -2.811 1.00 0.00 N ATOM 501 CA ARG A 35 3.736 -11.569 -4.168 1.00 0.00 C ATOM 502 C ARG A 35 2.353 -12.190 -4.314 1.00 0.00 C ATOM 503 O ARG A 35 1.630 -11.880 -5.254 1.00 0.00 O ATOM 504 CB ARG A 35 4.833 -12.590 -4.509 1.00 0.00 C ATOM 505 CG ARG A 35 5.037 -12.808 -6.015 1.00 0.00 C ATOM 506 CD ARG A 35 5.529 -11.539 -6.723 1.00 0.00 C ATOM 507 NE ARG A 35 6.055 -11.844 -8.059 1.00 0.00 N ATOM 508 CZ ARG A 35 6.448 -10.923 -8.950 1.00 0.00 C ATOM 509 NH1 ARG A 35 6.353 -9.620 -8.662 1.00 0.00 N ATOM 510 NH2 ARG A 35 6.936 -11.314 -10.131 1.00 0.00 N ATOM 0 H ARG A 35 4.829 -11.425 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 35 3.790 -10.730 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.774 -12.258 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.584 -13.544 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.758 -13.611 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.098 -13.132 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.709 -10.826 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.306 -11.063 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 35 6.126 -12.825 -8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.980 -9.323 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.654 -8.924 -9.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.007 -12.308 -10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.237 -10.619 -10.814 1.00 0.00 H new ATOM 524 N ILE A 36 1.983 -13.060 -3.375 1.00 0.00 N ATOM 525 CA ILE A 36 0.681 -13.723 -3.423 1.00 0.00 C ATOM 526 C ILE A 36 -0.482 -12.755 -3.135 1.00 0.00 C ATOM 527 O ILE A 36 -1.619 -13.074 -3.475 1.00 0.00 O ATOM 528 CB ILE A 36 0.675 -14.970 -2.516 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.924 -14.654 -1.032 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.749 -15.949 -3.015 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.385 -14.519 -0.250 1.00 0.00 C ATOM 0 H ILE A 36 2.562 -13.321 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 36 0.515 -14.068 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.323 -15.405 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.531 -15.444 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.494 -13.729 -0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.755 -16.836 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.528 -16.238 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.726 -15.468 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.164 -14.296 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.981 -13.712 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.943 -15.453 -0.311 1.00 0.00 H new ATOM 543 N ILE A 37 -0.232 -11.586 -2.530 1.00 0.00 N ATOM 544 CA ILE A 37 -1.243 -10.560 -2.276 1.00 0.00 C ATOM 545 C ILE A 37 -1.341 -9.608 -3.478 1.00 0.00 C ATOM 546 O ILE A 37 -2.418 -9.085 -3.748 1.00 0.00 O ATOM 547 CB ILE A 37 -0.919 -9.838 -0.951 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.118 -10.777 0.253 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.767 -8.574 -0.761 1.00 0.00 C ATOM 550 CD1 ILE A 37 -2.550 -11.285 0.453 1.00 0.00 C ATOM 0 H ILE A 37 0.697 -11.326 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.227 -11.014 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 37 0.128 -9.540 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.457 -11.636 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.805 -10.254 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.505 -8.099 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.576 -7.881 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.823 -8.843 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.586 -11.938 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.219 -10.438 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.865 -11.841 -0.430 1.00 0.00 H new ATOM 562 N ALA A 38 -0.254 -9.425 -4.235 1.00 0.00 N ATOM 563 CA ALA A 38 -0.179 -8.590 -5.432 1.00 0.00 C ATOM 564 C ALA A 38 -1.441 -8.676 -6.315 1.00 0.00 C ATOM 565 O ALA A 38 -1.953 -7.628 -6.698 1.00 0.00 O ATOM 566 CB ALA A 38 1.076 -8.934 -6.245 1.00 0.00 C ATOM 0 H ALA A 38 0.635 -9.876 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.117 -7.557 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.118 -8.304 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.963 -8.761 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.040 -9.981 -6.544 1.00 0.00 H new ATOM 572 N PRO A 39 -1.994 -9.857 -6.644 1.00 0.00 N ATOM 573 CA PRO A 39 -3.196 -9.944 -7.462 1.00 0.00 C ATOM 574 C PRO A 39 -4.402 -9.357 -6.724 1.00 0.00 C ATOM 575 O PRO A 39 -5.257 -8.710 -7.321 1.00 0.00 O ATOM 576 CB PRO A 39 -3.414 -11.438 -7.748 1.00 0.00 C ATOM 577 CG PRO A 39 -2.099 -12.103 -7.341 1.00 0.00 C ATOM 578 CD PRO A 39 -1.608 -11.190 -6.225 1.00 0.00 C ATOM 0 HA PRO A 39 -3.084 -9.375 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.253 -11.833 -7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.637 -11.612 -8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.250 -13.125 -6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.393 -12.149 -8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.063 -11.452 -5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.528 -11.268 -6.096 1.00 0.00 H new ATOM 586 N VAL A 40 -4.465 -9.601 -5.414 1.00 0.00 N ATOM 587 CA VAL A 40 -5.552 -9.186 -4.548 1.00 0.00 C ATOM 588 C VAL A 40 -5.522 -7.666 -4.386 1.00 0.00 C ATOM 589 O VAL A 40 -6.491 -6.981 -4.693 1.00 0.00 O ATOM 590 CB VAL A 40 -5.452 -9.928 -3.201 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.714 -9.670 -2.382 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.304 -11.444 -3.397 1.00 0.00 C ATOM 0 H VAL A 40 -3.733 -10.110 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.514 -9.447 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.568 -9.554 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.643 -10.195 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.817 -8.600 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.584 -10.030 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.237 -11.932 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.170 -11.827 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.400 -11.650 -3.970 1.00 0.00 H new ATOM 602 N VAL A 41 -4.405 -7.124 -3.908 1.00 0.00 N ATOM 603 CA VAL A 41 -4.207 -5.685 -3.779 1.00 0.00 C ATOM 604 C VAL A 41 -4.476 -5.032 -5.148 1.00 0.00 C ATOM 605 O VAL A 41 -5.188 -4.030 -5.222 1.00 0.00 O ATOM 606 CB VAL A 41 -2.812 -5.417 -3.166 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.667 -5.512 -4.167 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.657 -4.139 -2.330 1.00 0.00 C ATOM 0 H VAL A 41 -3.606 -7.677 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.911 -5.221 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.744 -6.245 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.723 -5.311 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.642 -6.513 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.816 -4.780 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.635 -4.069 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.878 -3.270 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.348 -4.169 -1.487 1.00 0.00 H new ATOM 618 N ASP A 42 -3.989 -5.627 -6.241 1.00 0.00 N ATOM 619 CA ASP A 42 -4.242 -5.079 -7.572 1.00 0.00 C ATOM 620 C ASP A 42 -5.729 -5.032 -7.909 1.00 0.00 C ATOM 621 O ASP A 42 -6.256 -3.981 -8.264 1.00 0.00 O ATOM 622 CB ASP A 42 -3.525 -5.883 -8.653 1.00 0.00 C ATOM 623 CG ASP A 42 -3.597 -5.153 -9.986 1.00 0.00 C ATOM 624 OD1 ASP A 42 -3.326 -3.931 -10.000 1.00 0.00 O ATOM 625 OD2 ASP A 42 -3.902 -5.811 -11.002 1.00 0.00 O ATOM 0 H ASP A 42 -3.425 -6.477 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.854 -4.061 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.484 -6.038 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.980 -6.869 -8.745 1.00 0.00 H new ATOM 630 N GLU A 43 -6.409 -6.174 -7.840 1.00 0.00 N ATOM 631 CA GLU A 43 -7.825 -6.221 -8.183 1.00 0.00 C ATOM 632 C GLU A 43 -8.627 -5.275 -7.279 1.00 0.00 C ATOM 633 O GLU A 43 -9.512 -4.568 -7.758 1.00 0.00 O ATOM 634 CB GLU A 43 -8.341 -7.665 -8.167 1.00 0.00 C ATOM 635 CG GLU A 43 -8.897 -8.144 -6.822 1.00 0.00 C ATOM 636 CD GLU A 43 -9.124 -9.648 -6.820 1.00 0.00 C ATOM 637 OE1 GLU A 43 -9.851 -10.112 -7.724 1.00 0.00 O ATOM 638 OE2 GLU A 43 -8.585 -10.307 -5.905 1.00 0.00 O ATOM 0 H GLU A 43 -6.008 -7.067 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.962 -5.863 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.122 -7.763 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.528 -8.328 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.203 -7.878 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.836 -7.632 -6.612 1.00 0.00 H new ATOM 645 N ILE A 44 -8.312 -5.235 -5.978 1.00 0.00 N ATOM 646 CA ILE A 44 -8.947 -4.304 -5.061 1.00 0.00 C ATOM 647 C ILE A 44 -8.750 -2.895 -5.610 1.00 0.00 C ATOM 648 O ILE A 44 -9.700 -2.116 -5.628 1.00 0.00 O ATOM 649 CB ILE A 44 -8.396 -4.483 -3.635 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.934 -5.807 -3.061 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.829 -3.316 -2.735 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.355 -6.120 -1.679 1.00 0.00 C ATOM 0 H ILE A 44 -7.617 -5.843 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.017 -4.497 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.307 -4.501 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.021 -5.756 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.695 -6.621 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.429 -3.462 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.449 -2.380 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.917 -3.276 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.765 -7.063 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.270 -6.199 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.617 -5.321 -0.985 1.00 0.00 H new ATOM 664 N ALA A 45 -7.544 -2.550 -6.075 1.00 0.00 N ATOM 665 CA ALA A 45 -7.355 -1.257 -6.717 1.00 0.00 C ATOM 666 C ALA A 45 -8.354 -1.136 -7.862 1.00 0.00 C ATOM 667 O ALA A 45 -9.130 -0.194 -7.887 1.00 0.00 O ATOM 668 CB ALA A 45 -5.935 -1.099 -7.247 1.00 0.00 C ATOM 0 H ALA A 45 -6.709 -3.134 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.519 -0.469 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.830 -0.123 -7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.227 -1.181 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.731 -1.880 -7.979 1.00 0.00 H new ATOM 674 N GLY A 46 -8.378 -2.112 -8.774 1.00 0.00 N ATOM 675 CA GLY A 46 -9.317 -2.142 -9.887 1.00 0.00 C ATOM 676 C GLY A 46 -10.745 -1.795 -9.456 1.00 0.00 C ATOM 677 O GLY A 46 -11.417 -1.006 -10.117 1.00 0.00 O ATOM 0 H GLY A 46 -7.739 -2.907 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.991 -1.439 -10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.308 -3.133 -10.340 1.00 0.00 H new ATOM 681 N GLU A 47 -11.200 -2.361 -8.338 1.00 0.00 N ATOM 682 CA GLU A 47 -12.535 -2.118 -7.815 1.00 0.00 C ATOM 683 C GLU A 47 -12.808 -0.646 -7.464 1.00 0.00 C ATOM 684 O GLU A 47 -13.907 -0.171 -7.736 1.00 0.00 O ATOM 685 CB GLU A 47 -12.761 -3.019 -6.594 1.00 0.00 C ATOM 686 CG GLU A 47 -12.863 -4.497 -7.014 1.00 0.00 C ATOM 687 CD GLU A 47 -12.941 -5.471 -5.838 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.673 -5.035 -4.697 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.253 -6.654 -6.105 1.00 0.00 O ATOM 0 H GLU A 47 -10.647 -3.003 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.243 -2.360 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.941 -2.893 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.674 -2.719 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.746 -4.627 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.998 -4.751 -7.627 1.00 0.00 H new ATOM 696 N TYR A 48 -11.856 0.065 -6.845 1.00 0.00 N ATOM 697 CA TYR A 48 -12.065 1.449 -6.374 1.00 0.00 C ATOM 698 C TYR A 48 -11.100 2.509 -6.948 1.00 0.00 C ATOM 699 O TYR A 48 -11.105 3.649 -6.468 1.00 0.00 O ATOM 700 CB TYR A 48 -11.926 1.500 -4.847 1.00 0.00 C ATOM 701 CG TYR A 48 -12.769 0.563 -4.004 1.00 0.00 C ATOM 702 CD1 TYR A 48 -12.286 -0.731 -3.745 1.00 0.00 C ATOM 703 CD2 TYR A 48 -13.812 1.084 -3.211 1.00 0.00 C ATOM 704 CE1 TYR A 48 -12.884 -1.535 -2.762 1.00 0.00 C ATOM 705 CE2 TYR A 48 -14.372 0.301 -2.184 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.925 -1.016 -1.977 1.00 0.00 C ATOM 707 OH TYR A 48 -14.430 -1.770 -0.961 1.00 0.00 O ATOM 0 H TYR A 48 -10.922 -0.297 -6.655 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.064 1.702 -6.729 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.880 1.311 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.148 2.519 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.446 -1.111 -4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -14.181 2.083 -3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.544 -2.549 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -15.146 0.713 -1.554 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.812 -1.182 -0.276 1.00 0.00 H new ATOM 717 N LYS A 49 -10.294 2.157 -7.956 1.00 0.00 N ATOM 718 CA LYS A 49 -9.232 2.967 -8.561 1.00 0.00 C ATOM 719 C LYS A 49 -9.599 4.441 -8.723 1.00 0.00 C ATOM 720 O LYS A 49 -8.777 5.322 -8.489 1.00 0.00 O ATOM 721 CB LYS A 49 -8.830 2.365 -9.920 1.00 0.00 C ATOM 722 CG LYS A 49 -10.000 2.106 -10.882 1.00 0.00 C ATOM 723 CD LYS A 49 -9.480 1.531 -12.205 1.00 0.00 C ATOM 724 CE LYS A 49 -10.636 1.235 -13.168 1.00 0.00 C ATOM 725 NZ LYS A 49 -11.429 0.071 -12.734 1.00 0.00 N ATOM 0 H LYS A 49 -10.371 1.241 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.389 2.941 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.122 3.038 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.307 1.425 -9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.707 1.411 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.540 3.034 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.790 2.237 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.919 0.616 -12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.283 2.109 -13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.239 1.052 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.241 -0.733 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.166 -0.185 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.441 0.308 -12.768 1.00 0.00 H new ATOM 739 N ASP A 50 -10.838 4.687 -9.141 1.00 0.00 N ATOM 740 CA ASP A 50 -11.435 5.995 -9.350 1.00 0.00 C ATOM 741 C ASP A 50 -11.104 6.987 -8.236 1.00 0.00 C ATOM 742 O ASP A 50 -10.898 8.169 -8.501 1.00 0.00 O ATOM 743 CB ASP A 50 -12.957 5.816 -9.405 1.00 0.00 C ATOM 744 CG ASP A 50 -13.397 4.952 -10.582 1.00 0.00 C ATOM 745 OD1 ASP A 50 -13.054 3.748 -10.546 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.057 5.504 -11.487 1.00 0.00 O ATOM 0 H ASP A 50 -11.488 3.930 -9.355 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.031 6.402 -10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.301 5.362 -8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.433 6.794 -9.477 1.00 0.00 H new ATOM 751 N LYS A 51 -11.123 6.507 -6.992 1.00 0.00 N ATOM 752 CA LYS A 51 -10.957 7.320 -5.801 1.00 0.00 C ATOM 753 C LYS A 51 -9.963 6.768 -4.786 1.00 0.00 C ATOM 754 O LYS A 51 -9.090 7.477 -4.294 1.00 0.00 O ATOM 755 CB LYS A 51 -12.325 7.363 -5.107 1.00 0.00 C ATOM 756 CG LYS A 51 -13.257 8.402 -5.742 1.00 0.00 C ATOM 757 CD LYS A 51 -14.613 8.485 -5.023 1.00 0.00 C ATOM 758 CE LYS A 51 -15.406 7.169 -5.027 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.614 6.652 -6.391 1.00 0.00 N ATOM 0 H LYS A 51 -11.258 5.517 -6.787 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.574 8.288 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.790 6.378 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.189 7.595 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.776 9.380 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.419 8.150 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.447 8.794 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.215 9.261 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.875 6.424 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.372 7.327 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.224 5.811 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.068 7.384 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.697 6.396 -6.809 1.00 0.00 H new ATOM 773 N LEU A 52 -10.191 5.522 -4.392 1.00 0.00 N ATOM 774 CA LEU A 52 -9.600 4.963 -3.191 1.00 0.00 C ATOM 775 C LEU A 52 -8.168 4.419 -3.371 1.00 0.00 C ATOM 776 O LEU A 52 -7.674 4.198 -4.474 1.00 0.00 O ATOM 777 CB LEU A 52 -10.627 3.954 -2.643 1.00 0.00 C ATOM 778 CG LEU A 52 -10.518 3.555 -1.174 1.00 0.00 C ATOM 779 CD1 LEU A 52 -10.456 4.769 -0.238 1.00 0.00 C ATOM 780 CD2 LEU A 52 -11.704 2.657 -0.806 1.00 0.00 C ATOM 0 H LEU A 52 -10.792 4.873 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.417 5.744 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.622 4.368 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.558 3.046 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.582 3.012 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.379 4.429 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.585 5.376 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.360 5.367 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.631 2.369 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.635 3.199 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.691 1.763 -1.429 1.00 0.00 H new ATOM 792 N LYS A 53 -7.578 4.091 -2.221 1.00 0.00 N ATOM 793 CA LYS A 53 -6.212 3.840 -1.870 1.00 0.00 C ATOM 794 C LYS A 53 -5.480 2.544 -2.238 1.00 0.00 C ATOM 795 O LYS A 53 -5.423 1.652 -1.413 1.00 0.00 O ATOM 796 CB LYS A 53 -6.291 3.909 -0.305 1.00 0.00 C ATOM 797 CG LYS A 53 -7.356 3.151 0.525 1.00 0.00 C ATOM 798 CD LYS A 53 -7.430 1.611 0.483 1.00 0.00 C ATOM 799 CE LYS A 53 -8.068 0.963 -0.758 1.00 0.00 C ATOM 800 NZ LYS A 53 -7.440 -0.335 -1.056 1.00 0.00 N ATOM 0 H LYS A 53 -8.162 3.983 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.618 4.547 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.320 3.582 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.393 4.963 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.216 3.438 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.332 3.529 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.416 1.223 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.985 1.277 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.136 0.825 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.962 1.628 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.020 -0.850 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.490 -0.179 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.366 -0.894 -0.182 1.00 0.00 H new ATOM 814 N CYS A 54 -4.744 2.444 -3.354 1.00 0.00 N ATOM 815 CA CYS A 54 -3.982 1.204 -3.564 1.00 0.00 C ATOM 816 C CYS A 54 -2.706 1.368 -4.387 1.00 0.00 C ATOM 817 O CYS A 54 -2.751 1.820 -5.532 1.00 0.00 O ATOM 818 CB CYS A 54 -4.890 0.170 -4.213 1.00 0.00 C ATOM 819 SG CYS A 54 -4.055 -1.406 -4.016 1.00 0.00 S ATOM 0 H CYS A 54 -4.660 3.154 -4.082 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.647 0.879 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.870 0.156 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.052 0.398 -5.267 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.074 -1.753 -2.763 1.00 0.00 H new ATOM 825 N VAL A 55 -1.564 0.985 -3.799 1.00 0.00 N ATOM 826 CA VAL A 55 -0.244 1.118 -4.394 1.00 0.00 C ATOM 827 C VAL A 55 0.739 0.148 -3.725 1.00 0.00 C ATOM 828 O VAL A 55 0.464 -0.399 -2.655 1.00 0.00 O ATOM 829 CB VAL A 55 0.275 2.572 -4.253 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.801 3.073 -5.591 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.732 3.623 -3.773 1.00 0.00 C ATOM 0 H VAL A 55 -1.542 0.563 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.320 0.875 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 55 1.037 2.481 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.163 4.095 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.618 2.433 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.001 3.050 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.244 4.596 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.565 3.675 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.104 3.347 -2.786 1.00 0.00 H new ATOM 841 N LYS A 56 1.899 -0.053 -4.356 1.00 0.00 N ATOM 842 CA LYS A 56 2.940 -0.966 -3.907 1.00 0.00 C ATOM 843 C LYS A 56 4.323 -0.304 -3.939 1.00 0.00 C ATOM 844 O LYS A 56 4.756 0.136 -5.005 1.00 0.00 O ATOM 845 CB LYS A 56 2.923 -2.165 -4.854 1.00 0.00 C ATOM 846 CG LYS A 56 1.761 -3.110 -4.547 1.00 0.00 C ATOM 847 CD LYS A 56 1.640 -4.178 -5.637 1.00 0.00 C ATOM 848 CE LYS A 56 0.659 -3.746 -6.736 1.00 0.00 C ATOM 849 NZ LYS A 56 1.127 -2.587 -7.520 1.00 0.00 N ATOM 0 H LYS A 56 2.142 0.433 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 56 2.749 -1.264 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.845 -1.815 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.865 -2.707 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.917 -3.586 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.832 -2.544 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.620 -4.366 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.304 -5.116 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.488 -4.585 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.301 -3.503 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.508 -2.453 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.102 -1.733 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.101 -2.756 -7.842 1.00 0.00 H new ATOM 863 N LEU A 57 5.031 -0.258 -2.802 1.00 0.00 N ATOM 864 CA LEU A 57 6.386 0.298 -2.731 1.00 0.00 C ATOM 865 C LEU A 57 7.412 -0.826 -2.625 1.00 0.00 C ATOM 866 O LEU A 57 7.396 -1.633 -1.698 1.00 0.00 O ATOM 867 CB LEU A 57 6.552 1.266 -1.555 1.00 0.00 C ATOM 868 CG LEU A 57 7.939 1.944 -1.583 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.848 3.392 -2.067 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.548 1.936 -0.184 1.00 0.00 C ATOM 0 H LEU A 57 4.680 -0.604 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 57 6.553 0.862 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.772 2.026 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.426 0.727 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 57 8.565 1.381 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.843 3.837 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.434 3.413 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.201 3.959 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.526 2.416 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.896 2.479 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.657 0.907 0.159 1.00 0.00 H new ATOM 882 N ASN A 58 8.323 -0.881 -3.599 1.00 0.00 N ATOM 883 CA ASN A 58 9.382 -1.841 -3.673 1.00 0.00 C ATOM 884 C ASN A 58 10.456 -1.646 -2.600 1.00 0.00 C ATOM 885 O ASN A 58 11.294 -0.755 -2.704 1.00 0.00 O ATOM 886 CB ASN A 58 9.996 -1.689 -5.056 1.00 0.00 C ATOM 887 CG ASN A 58 10.917 -2.862 -5.209 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.039 -2.855 -4.717 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.371 -3.921 -5.771 1.00 0.00 N ATOM 0 H ASN A 58 8.327 -0.224 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 58 8.976 -2.838 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.228 -1.688 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.539 -0.748 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.888 -4.799 -5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.431 -3.863 -6.163 1.00 0.00 H new ATOM 896 N THR A 59 10.512 -2.555 -1.635 1.00 0.00 N ATOM 897 CA THR A 59 11.417 -2.521 -0.495 1.00 0.00 C ATOM 898 C THR A 59 12.791 -3.084 -0.887 1.00 0.00 C ATOM 899 O THR A 59 13.346 -3.931 -0.192 1.00 0.00 O ATOM 900 CB THR A 59 10.770 -3.330 0.647 1.00 0.00 C ATOM 901 OG1 THR A 59 9.374 -3.089 0.694 1.00 0.00 O ATOM 902 CG2 THR A 59 11.346 -2.957 2.013 1.00 0.00 C ATOM 0 H THR A 59 9.901 -3.372 -1.626 1.00 0.00 H new ATOM 0 HA THR A 59 11.581 -1.496 -0.162 1.00 0.00 H new ATOM 0 HB THR A 59 10.981 -4.379 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.920 -3.670 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.861 -3.552 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.418 -3.154 2.022 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.170 -1.899 2.205 1.00 0.00 H new ATOM 910 N ASP A 60 13.336 -2.634 -2.020 1.00 0.00 N ATOM 911 CA ASP A 60 14.638 -3.063 -2.527 1.00 0.00 C ATOM 912 C ASP A 60 15.196 -1.905 -3.358 1.00 0.00 C ATOM 913 O ASP A 60 16.331 -1.475 -3.176 1.00 0.00 O ATOM 914 CB ASP A 60 14.466 -4.368 -3.321 1.00 0.00 C ATOM 915 CG ASP A 60 15.732 -5.221 -3.348 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.809 -4.672 -3.670 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.586 -6.424 -3.035 1.00 0.00 O ATOM 0 H ASP A 60 12.875 -1.950 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 60 15.350 -3.287 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.653 -4.948 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.174 -4.129 -4.343 1.00 0.00 H new ATOM 922 N GLU A 61 14.333 -1.357 -4.220 1.00 0.00 N ATOM 923 CA GLU A 61 14.537 -0.147 -5.004 1.00 0.00 C ATOM 924 C GLU A 61 14.220 1.085 -4.146 1.00 0.00 C ATOM 925 O GLU A 61 14.692 2.183 -4.438 1.00 0.00 O ATOM 926 CB GLU A 61 13.594 -0.185 -6.213 1.00 0.00 C ATOM 927 CG GLU A 61 13.962 0.869 -7.259 1.00 0.00 C ATOM 928 CD GLU A 61 13.040 0.789 -8.470 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.863 1.182 -8.308 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.521 0.326 -9.526 1.00 0.00 O ATOM 0 H GLU A 61 13.420 -1.776 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 61 15.573 -0.090 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.628 -1.175 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.569 -0.022 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.899 1.863 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.995 0.726 -7.575 1.00 0.00 H new ATOM 937 N SER A 62 13.404 0.900 -3.098 1.00 0.00 N ATOM 938 CA SER A 62 12.966 1.917 -2.154 1.00 0.00 C ATOM 939 C SER A 62 13.306 1.556 -0.699 1.00 0.00 C ATOM 940 O SER A 62 12.444 1.570 0.181 1.00 0.00 O ATOM 941 CB SER A 62 11.457 2.132 -2.318 1.00 0.00 C ATOM 942 OG SER A 62 11.021 1.784 -3.617 1.00 0.00 O ATOM 0 H SER A 62 13.015 -0.018 -2.882 1.00 0.00 H new ATOM 0 HA SER A 62 13.503 2.839 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.921 1.534 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.214 3.176 -2.119 1.00 0.00 H new ATOM 0 HG SER A 62 10.983 0.808 -3.699 1.00 0.00 H new ATOM 948 N PRO A 63 14.577 1.247 -0.429 1.00 0.00 N ATOM 949 CA PRO A 63 15.080 0.886 0.876 1.00 0.00 C ATOM 950 C PRO A 63 15.057 2.099 1.779 1.00 0.00 C ATOM 951 O PRO A 63 14.771 2.003 2.962 1.00 0.00 O ATOM 952 CB PRO A 63 16.522 0.453 0.631 1.00 0.00 C ATOM 953 CG PRO A 63 16.972 1.233 -0.601 1.00 0.00 C ATOM 954 CD PRO A 63 15.662 1.356 -1.378 1.00 0.00 C ATOM 0 HA PRO A 63 14.488 0.104 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.152 0.679 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.587 -0.622 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.388 2.206 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.736 0.701 -1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.617 2.310 -1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.590 0.573 -2.133 1.00 0.00 H new ATOM 962 N ASN A 64 15.397 3.235 1.183 1.00 0.00 N ATOM 963 CA ASN A 64 15.505 4.529 1.851 1.00 0.00 C ATOM 964 C ASN A 64 14.257 4.807 2.684 1.00 0.00 C ATOM 965 O ASN A 64 14.319 4.819 3.914 1.00 0.00 O ATOM 966 CB ASN A 64 15.772 5.652 0.841 1.00 0.00 C ATOM 967 CG ASN A 64 17.044 5.399 0.038 1.00 0.00 C ATOM 968 OD1 ASN A 64 18.147 5.533 0.555 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.911 5.015 -1.227 1.00 0.00 N ATOM 0 H ASN A 64 15.613 3.284 0.187 1.00 0.00 H new ATOM 0 HA ASN A 64 16.358 4.495 2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.924 5.739 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.857 6.602 1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.739 4.824 -1.792 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.981 4.911 -1.633 1.00 0.00 H new ATOM 976 N VAL A 65 13.114 5.001 2.028 1.00 0.00 N ATOM 977 CA VAL A 65 11.870 5.295 2.723 1.00 0.00 C ATOM 978 C VAL A 65 11.533 4.181 3.711 1.00 0.00 C ATOM 979 O VAL A 65 11.185 4.443 4.865 1.00 0.00 O ATOM 980 CB VAL A 65 10.781 5.533 1.670 1.00 0.00 C ATOM 981 CG1 VAL A 65 9.376 5.523 2.272 1.00 0.00 C ATOM 982 CG2 VAL A 65 11.058 6.899 1.031 1.00 0.00 C ATOM 0 H VAL A 65 13.028 4.959 1.013 1.00 0.00 H new ATOM 0 HA VAL A 65 11.958 6.199 3.325 1.00 0.00 H new ATOM 0 HB VAL A 65 10.812 4.727 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.642 5.696 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.187 4.556 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.296 6.310 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.302 7.106 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.025 7.673 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.044 6.890 0.567 1.00 0.00 H new ATOM 992 N ALA A 66 11.661 2.933 3.261 1.00 0.00 N ATOM 993 CA ALA A 66 11.414 1.783 4.118 1.00 0.00 C ATOM 994 C ALA A 66 12.250 1.863 5.403 1.00 0.00 C ATOM 995 O ALA A 66 11.744 1.545 6.474 1.00 0.00 O ATOM 996 CB ALA A 66 11.705 0.494 3.351 1.00 0.00 C ATOM 0 H ALA A 66 11.935 2.697 2.307 1.00 0.00 H new ATOM 0 HA ALA A 66 10.365 1.785 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.519 -0.364 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.057 0.437 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.747 0.488 3.032 1.00 0.00 H new ATOM 1002 N SER A 67 13.506 2.306 5.316 1.00 0.00 N ATOM 1003 CA SER A 67 14.408 2.436 6.453 1.00 0.00 C ATOM 1004 C SER A 67 14.002 3.614 7.330 1.00 0.00 C ATOM 1005 O SER A 67 14.033 3.499 8.551 1.00 0.00 O ATOM 1006 CB SER A 67 15.855 2.599 5.975 1.00 0.00 C ATOM 1007 OG SER A 67 16.236 1.477 5.206 1.00 0.00 O ATOM 0 H SER A 67 13.930 2.589 4.432 1.00 0.00 H new ATOM 0 HA SER A 67 14.340 1.525 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.951 3.508 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.520 2.707 6.832 1.00 0.00 H new ATOM 0 HG SER A 67 15.772 1.499 4.343 1.00 0.00 H new ATOM 1013 N GLU A 68 13.625 4.740 6.717 1.00 0.00 N ATOM 1014 CA GLU A 68 13.164 5.909 7.461 1.00 0.00 C ATOM 1015 C GLU A 68 11.998 5.515 8.371 1.00 0.00 C ATOM 1016 O GLU A 68 11.951 5.920 9.530 1.00 0.00 O ATOM 1017 CB GLU A 68 12.743 7.034 6.504 1.00 0.00 C ATOM 1018 CG GLU A 68 13.930 7.661 5.759 1.00 0.00 C ATOM 1019 CD GLU A 68 14.901 8.362 6.703 1.00 0.00 C ATOM 1020 OE1 GLU A 68 14.518 9.436 7.214 1.00 0.00 O ATOM 1021 OE2 GLU A 68 16.006 7.810 6.897 1.00 0.00 O ATOM 0 H GLU A 68 13.631 4.864 5.705 1.00 0.00 H new ATOM 0 HA GLU A 68 13.985 6.280 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.032 6.639 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.225 7.809 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.460 6.885 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.559 8.377 5.026 1.00 0.00 H new ATOM 1028 N TYR A 69 11.064 4.715 7.849 1.00 0.00 N ATOM 1029 CA TYR A 69 9.939 4.230 8.642 1.00 0.00 C ATOM 1030 C TYR A 69 10.369 3.054 9.535 1.00 0.00 C ATOM 1031 O TYR A 69 9.832 2.883 10.626 1.00 0.00 O ATOM 1032 CB TYR A 69 8.797 3.833 7.701 1.00 0.00 C ATOM 1033 CG TYR A 69 7.986 5.018 7.206 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.230 5.776 8.121 1.00 0.00 C ATOM 1035 CD2 TYR A 69 8.082 5.441 5.867 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.649 6.993 7.725 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.490 6.654 5.469 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.815 7.449 6.407 1.00 0.00 C ATOM 1039 OH TYR A 69 6.336 8.669 6.033 1.00 0.00 O ATOM 0 H TYR A 69 11.068 4.392 6.882 1.00 0.00 H new ATOM 0 HA TYR A 69 9.589 5.023 9.303 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.210 3.301 6.844 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.134 3.139 8.218 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.096 5.420 9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.610 4.835 5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.077 7.576 8.432 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.555 6.973 4.439 1.00 0.00 H new ATOM 0 HH TYR A 69 6.539 8.824 5.087 1.00 0.00 H new ATOM 1049 N GLY A 70 11.320 2.241 9.076 1.00 0.00 N ATOM 1050 CA GLY A 70 11.889 1.114 9.811 1.00 0.00 C ATOM 1051 C GLY A 70 11.143 -0.185 9.515 1.00 0.00 C ATOM 1052 O GLY A 70 11.012 -1.058 10.371 1.00 0.00 O ATOM 0 H GLY A 70 11.729 2.354 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.940 0.999 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.851 1.320 10.881 1.00 0.00 H new ATOM 1056 N ILE A 71 10.684 -0.336 8.274 1.00 0.00 N ATOM 1057 CA ILE A 71 9.883 -1.455 7.804 1.00 0.00 C ATOM 1058 C ILE A 71 10.801 -2.643 7.495 1.00 0.00 C ATOM 1059 O ILE A 71 10.894 -3.136 6.371 1.00 0.00 O ATOM 1060 CB ILE A 71 9.035 -0.940 6.625 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.117 0.169 7.185 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.190 -2.055 5.992 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.433 0.995 6.101 1.00 0.00 C ATOM 0 H ILE A 71 10.870 0.349 7.541 1.00 0.00 H new ATOM 0 HA ILE A 71 9.187 -1.837 8.551 1.00 0.00 H new ATOM 0 HB ILE A 71 9.689 -0.563 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.356 -0.286 7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.706 0.832 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.609 -1.646 5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.846 -2.842 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.515 -2.469 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.804 1.755 6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.188 1.478 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.817 0.343 5.481 1.00 0.00 H new ATOM 1075 N ARG A 72 11.486 -3.132 8.531 1.00 0.00 N ATOM 1076 CA ARG A 72 12.420 -4.243 8.420 1.00 0.00 C ATOM 1077 C ARG A 72 11.664 -5.581 8.440 1.00 0.00 C ATOM 1078 O ARG A 72 11.892 -6.422 9.309 1.00 0.00 O ATOM 1079 CB ARG A 72 13.459 -4.129 9.547 1.00 0.00 C ATOM 1080 CG ARG A 72 14.690 -5.008 9.277 1.00 0.00 C ATOM 1081 CD ARG A 72 15.729 -4.870 10.395 1.00 0.00 C ATOM 1082 NE ARG A 72 15.212 -5.385 11.669 1.00 0.00 N ATOM 1083 CZ ARG A 72 15.897 -5.399 12.820 1.00 0.00 C ATOM 1084 NH1 ARG A 72 17.144 -4.917 12.869 1.00 0.00 N ATOM 1085 NH2 ARG A 72 15.327 -5.899 13.920 1.00 0.00 N ATOM 0 H ARG A 72 11.404 -2.761 9.478 1.00 0.00 H new ATOM 0 HA ARG A 72 12.950 -4.205 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.770 -3.090 9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.003 -4.422 10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.383 -6.050 9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.138 -4.727 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.635 -5.412 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.007 -3.822 10.509 1.00 0.00 H new ATOM 0 HE ARG A 72 14.263 -5.759 11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.577 -4.537 12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.662 -4.930 13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.376 -6.267 13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.842 -5.913 14.800 1.00 0.00 H new ATOM 1099 N SER A 73 10.735 -5.759 7.498 1.00 0.00 N ATOM 1100 CA SER A 73 9.903 -6.942 7.265 1.00 0.00 C ATOM 1101 C SER A 73 8.740 -6.519 6.377 1.00 0.00 C ATOM 1102 O SER A 73 8.331 -5.358 6.416 1.00 0.00 O ATOM 1103 CB SER A 73 9.374 -7.602 8.552 1.00 0.00 C ATOM 1104 OG SER A 73 9.211 -6.691 9.621 1.00 0.00 O ATOM 0 H SER A 73 10.529 -5.021 6.825 1.00 0.00 H new ATOM 0 HA SER A 73 10.525 -7.700 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.417 -8.079 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.062 -8.390 8.857 1.00 0.00 H new ATOM 0 HG SER A 73 8.872 -7.167 10.408 1.00 0.00 H new ATOM 1110 N ILE A 74 8.223 -7.453 5.573 1.00 0.00 N ATOM 1111 CA ILE A 74 7.145 -7.214 4.629 1.00 0.00 C ATOM 1112 C ILE A 74 6.394 -8.544 4.420 1.00 0.00 C ATOM 1113 O ILE A 74 7.000 -9.594 4.643 1.00 0.00 O ATOM 1114 CB ILE A 74 7.719 -6.637 3.314 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.935 -7.406 2.781 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.084 -5.153 3.486 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.199 -6.966 1.338 1.00 0.00 C ATOM 0 H ILE A 74 8.556 -8.417 5.566 1.00 0.00 H new ATOM 0 HA ILE A 74 6.438 -6.476 5.008 1.00 0.00 H new ATOM 0 HB ILE A 74 6.926 -6.746 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.809 -7.209 3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.751 -8.480 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.486 -4.766 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.193 -4.588 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.833 -5.051 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.061 -7.505 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.325 -7.185 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.399 -5.895 1.315 1.00 0.00 H new ATOM 1129 N PRO A 75 5.108 -8.544 4.022 1.00 0.00 N ATOM 1130 CA PRO A 75 4.291 -7.380 3.722 1.00 0.00 C ATOM 1131 C PRO A 75 3.958 -6.558 4.957 1.00 0.00 C ATOM 1132 O PRO A 75 3.565 -7.087 5.998 1.00 0.00 O ATOM 1133 CB PRO A 75 3.002 -7.891 3.084 1.00 0.00 C ATOM 1134 CG PRO A 75 2.906 -9.330 3.588 1.00 0.00 C ATOM 1135 CD PRO A 75 4.368 -9.755 3.715 1.00 0.00 C ATOM 0 HA PRO A 75 4.847 -6.720 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.140 -7.299 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.047 -7.848 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.386 -9.388 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.361 -9.966 2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.492 -10.499 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.725 -10.207 2.790 1.00 0.00 H new ATOM 1143 N THR A 76 4.122 -5.255 4.769 1.00 0.00 N ATOM 1144 CA THR A 76 3.842 -4.212 5.730 1.00 0.00 C ATOM 1145 C THR A 76 3.052 -3.180 4.936 1.00 0.00 C ATOM 1146 O THR A 76 3.583 -2.506 4.056 1.00 0.00 O ATOM 1147 CB THR A 76 5.145 -3.675 6.333 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.751 -4.699 7.095 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.865 -2.479 7.250 1.00 0.00 C ATOM 0 H THR A 76 4.475 -4.883 3.887 1.00 0.00 H new ATOM 0 HA THR A 76 3.269 -4.546 6.595 1.00 0.00 H new ATOM 0 HB THR A 76 5.801 -3.355 5.524 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.618 -4.931 6.701 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.803 -2.113 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.389 -1.684 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.204 -2.788 8.059 1.00 0.00 H new ATOM 1157 N ILE A 77 1.754 -3.130 5.199 1.00 0.00 N ATOM 1158 CA ILE A 77 0.805 -2.266 4.538 1.00 0.00 C ATOM 1159 C ILE A 77 0.653 -1.011 5.386 1.00 0.00 C ATOM 1160 O ILE A 77 0.456 -1.118 6.593 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.517 -3.046 4.408 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.393 -4.050 3.248 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.691 -2.084 4.196 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.495 -5.114 3.256 1.00 0.00 C ATOM 0 H ILE A 77 1.322 -3.719 5.911 1.00 0.00 H new ATOM 0 HA ILE A 77 1.127 -1.966 3.541 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.714 -3.595 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.425 -3.509 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.579 -4.541 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.616 -2.653 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.763 -1.405 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.530 -1.508 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.353 -5.792 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.449 -5.678 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.468 -4.630 3.172 1.00 0.00 H new ATOM 1176 N MET A 78 0.753 0.176 4.790 1.00 0.00 N ATOM 1177 CA MET A 78 0.465 1.422 5.489 1.00 0.00 C ATOM 1178 C MET A 78 -0.473 2.229 4.618 1.00 0.00 C ATOM 1179 O MET A 78 -0.440 2.086 3.400 1.00 0.00 O ATOM 1180 CB MET A 78 1.721 2.245 5.759 1.00 0.00 C ATOM 1181 CG MET A 78 2.788 1.470 6.528 1.00 0.00 C ATOM 1182 SD MET A 78 4.154 2.492 7.127 1.00 0.00 S ATOM 1183 CE MET A 78 4.829 1.372 8.373 1.00 0.00 C ATOM 0 H MET A 78 1.034 0.298 3.817 1.00 0.00 H new ATOM 0 HA MET A 78 0.023 1.182 6.456 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.138 2.583 4.810 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.450 3.137 6.324 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.320 0.974 7.378 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.189 0.688 5.884 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.689 1.838 8.854 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.066 1.159 9.122 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.140 0.442 7.896 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.290 3.074 5.234 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.160 3.993 4.515 1.00 0.00 C ATOM 1195 C VAL A 79 -1.729 5.395 4.889 1.00 0.00 C ATOM 1196 O VAL A 79 -1.410 5.646 6.051 1.00 0.00 O ATOM 1197 CB VAL A 79 -3.648 3.779 4.831 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -4.484 4.911 4.199 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.154 2.444 4.273 1.00 0.00 C ATOM 0 H VAL A 79 -1.367 3.141 6.249 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.062 3.817 3.444 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.755 3.777 5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.539 4.755 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.164 5.870 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.341 4.909 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.210 2.325 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.026 2.430 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.586 1.626 4.716 1.00 0.00 H new ATOM 1209 N PHE A 80 -1.750 6.291 3.904 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.408 7.686 4.061 1.00 0.00 C ATOM 1211 C PHE A 80 -2.461 8.572 3.413 1.00 0.00 C ATOM 1212 O PHE A 80 -3.296 8.087 2.653 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.070 7.958 3.382 1.00 0.00 C ATOM 1214 CG PHE A 80 1.135 7.244 3.965 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.431 5.922 3.581 1.00 0.00 C ATOM 1216 CD2 PHE A 80 2.050 7.958 4.760 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.628 5.317 4.001 1.00 0.00 C ATOM 1218 CE2 PHE A 80 3.235 7.343 5.198 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.509 6.011 4.849 1.00 0.00 C ATOM 0 H PHE A 80 -2.015 6.049 2.949 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.352 7.909 5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.157 7.681 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.119 9.031 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.737 5.372 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.841 8.981 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.871 4.318 3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.937 7.896 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.393 5.521 5.230 1.00 0.00 H new ATOM 1229 N LYS A 81 -2.393 9.868 3.719 1.00 0.00 N ATOM 1230 CA LYS A 81 -3.214 10.937 3.169 1.00 0.00 C ATOM 1231 C LYS A 81 -2.603 12.252 3.650 1.00 0.00 C ATOM 1232 O LYS A 81 -1.970 12.260 4.704 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.682 10.820 3.624 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.022 11.286 5.051 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.223 10.553 6.136 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.935 10.580 7.492 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.139 11.958 7.974 1.00 0.00 N ATOM 0 H LYS A 81 -1.719 10.217 4.401 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.227 10.881 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.297 11.391 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.981 9.776 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.832 12.356 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.087 11.137 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.063 9.519 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.239 11.012 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.899 10.078 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.348 10.022 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.514 11.935 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.232 12.466 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.815 12.447 7.353 1.00 0.00 H new ATOM 1251 N GLY A 82 -2.754 13.354 2.914 1.00 0.00 N ATOM 1252 CA GLY A 82 -2.335 14.666 3.402 1.00 0.00 C ATOM 1253 C GLY A 82 -0.951 14.718 4.067 1.00 0.00 C ATOM 1254 O GLY A 82 -0.776 15.369 5.094 1.00 0.00 O ATOM 0 H GLY A 82 -3.163 13.363 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.342 15.364 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.076 15.020 4.119 1.00 0.00 H new ATOM 1258 N GLY A 83 0.030 14.020 3.496 1.00 0.00 N ATOM 1259 CA GLY A 83 1.405 13.991 3.970 1.00 0.00 C ATOM 1260 C GLY A 83 1.622 13.243 5.288 1.00 0.00 C ATOM 1261 O GLY A 83 2.712 13.344 5.845 1.00 0.00 O ATOM 0 H GLY A 83 -0.119 13.444 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.028 13.531 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.753 15.017 4.091 1.00 0.00 H new ATOM 1265 N LYS A 84 0.636 12.489 5.786 1.00 0.00 N ATOM 1266 CA LYS A 84 0.730 11.751 7.042 1.00 0.00 C ATOM 1267 C LYS A 84 0.107 10.363 6.893 1.00 0.00 C ATOM 1268 O LYS A 84 -0.554 10.077 5.895 1.00 0.00 O ATOM 1269 CB LYS A 84 0.010 12.531 8.155 1.00 0.00 C ATOM 1270 CG LYS A 84 0.580 13.932 8.417 1.00 0.00 C ATOM 1271 CD LYS A 84 1.999 13.886 9.010 1.00 0.00 C ATOM 1272 CE LYS A 84 2.590 15.295 9.143 1.00 0.00 C ATOM 1273 NZ LYS A 84 1.775 16.160 10.013 1.00 0.00 N ATOM 0 H LYS A 84 -0.263 12.375 5.317 1.00 0.00 H new ATOM 0 HA LYS A 84 1.782 11.634 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.044 12.624 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.060 11.953 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.597 14.495 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.079 14.468 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.972 13.406 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.642 13.277 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.601 15.227 9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.670 15.748 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.278 17.054 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.865 16.358 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.606 15.680 10.920 1.00 0.00 H new ATOM 1287 N LYS A 85 0.347 9.496 7.882 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.211 8.153 7.927 1.00 0.00 C ATOM 1289 C LYS A 85 -1.652 8.198 8.441 1.00 0.00 C ATOM 1290 O LYS A 85 -2.057 9.156 9.097 1.00 0.00 O ATOM 1291 CB LYS A 85 0.624 7.252 8.848 1.00 0.00 C ATOM 1292 CG LYS A 85 1.933 6.824 8.178 1.00 0.00 C ATOM 1293 CD LYS A 85 2.800 5.934 9.080 1.00 0.00 C ATOM 1294 CE LYS A 85 2.078 4.647 9.506 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.976 3.752 10.254 1.00 0.00 N ATOM 0 H LYS A 85 0.942 9.716 8.681 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.195 7.745 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.845 7.782 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.045 6.368 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.706 6.288 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.500 7.712 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.718 5.674 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.090 6.495 9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.215 4.899 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.699 4.131 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.460 2.892 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.786 3.494 9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.317 4.237 11.108 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.406 7.135 8.153 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.776 6.920 8.603 1.00 0.00 C ATOM 1311 C CYS A 86 -3.826 5.698 9.510 1.00 0.00 C ATOM 1312 O CYS A 86 -4.361 5.760 10.614 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.695 6.668 7.410 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.408 6.646 7.995 1.00 0.00 S ATOM 0 H CYS A 86 -2.060 6.369 7.574 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.107 7.810 9.139 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.562 7.446 6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.446 5.720 6.934 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.207 6.434 6.991 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.310 4.573 9.009 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.267 3.296 9.709 1.00 0.00 C ATOM 1322 C GLU A 87 -2.212 2.400 9.042 1.00 0.00 C ATOM 1323 O GLU A 87 -1.540 2.836 8.103 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.671 2.670 9.739 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.232 2.311 8.359 1.00 0.00 C ATOM 1326 CD GLU A 87 -4.669 0.986 7.846 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -4.987 -0.047 8.473 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -3.897 1.025 6.867 1.00 0.00 O ATOM 0 H GLU A 87 -2.899 4.529 8.076 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.969 3.428 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.641 1.769 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.355 3.364 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.319 2.248 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.994 3.105 7.652 1.00 0.00 H new ATOM 1335 N THR A 88 -2.072 1.155 9.513 1.00 0.00 N ATOM 1336 CA THR A 88 -1.133 0.180 8.976 1.00 0.00 C ATOM 1337 C THR A 88 -1.592 -1.232 9.352 1.00 0.00 C ATOM 1338 O THR A 88 -2.275 -1.398 10.359 1.00 0.00 O ATOM 1339 CB THR A 88 0.291 0.505 9.480 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.215 -0.508 9.142 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.349 0.670 11.003 1.00 0.00 C ATOM 0 H THR A 88 -2.622 0.796 10.294 1.00 0.00 H new ATOM 0 HA THR A 88 -1.107 0.229 7.887 1.00 0.00 H new ATOM 0 HB THR A 88 0.553 1.443 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.982 -0.884 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.371 0.897 11.306 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.309 1.485 11.306 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.026 -0.254 11.482 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.247 -2.226 8.526 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.534 -3.649 8.678 1.00 0.00 C ATOM 1351 C ILE A 89 -0.229 -4.371 8.327 1.00 0.00 C ATOM 1352 O ILE A 89 0.605 -3.812 7.617 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.692 -4.060 7.742 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.985 -3.292 8.052 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.996 -5.566 7.789 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.619 -3.590 9.417 1.00 0.00 C ATOM 0 H ILE A 89 -0.721 -2.039 7.672 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.855 -3.904 9.688 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.345 -3.805 6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.775 -2.224 7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.716 -3.516 7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.818 -5.793 7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.111 -6.125 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.274 -5.849 8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.525 -2.996 9.535 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.869 -4.649 9.479 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.914 -3.337 10.209 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.024 -5.591 8.824 1.00 0.00 N ATOM 1369 CA ILE A 90 1.201 -6.353 8.591 1.00 0.00 C ATOM 1370 C ILE A 90 0.809 -7.807 8.335 1.00 0.00 C ATOM 1371 O ILE A 90 -0.157 -8.290 8.925 1.00 0.00 O ATOM 1372 CB ILE A 90 2.154 -6.219 9.802 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.413 -4.732 10.126 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.489 -6.927 9.514 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.426 -4.503 11.252 1.00 0.00 C ATOM 0 H ILE A 90 -0.707 -6.080 9.402 1.00 0.00 H new ATOM 0 HA ILE A 90 1.737 -5.968 7.724 1.00 0.00 H new ATOM 0 HB ILE A 90 1.679 -6.690 10.663 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.768 -4.232 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.469 -4.261 10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.149 -6.824 10.375 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.306 -7.984 9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.959 -6.475 8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.551 -3.433 11.417 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.065 -4.972 12.167 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.384 -4.941 10.974 1.00 0.00 H new ATOM 1387 N GLY A 91 1.552 -8.493 7.462 1.00 0.00 N ATOM 1388 CA GLY A 91 1.313 -9.888 7.132 1.00 0.00 C ATOM 1389 C GLY A 91 0.242 -10.037 6.052 1.00 0.00 C ATOM 1390 O GLY A 91 -0.589 -9.152 5.850 1.00 0.00 O ATOM 0 H GLY A 91 2.343 -8.085 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.241 -10.345 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.004 -10.426 8.028 1.00 0.00 H new ATOM 1394 N ALA A 92 0.292 -11.151 5.317 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.686 -11.447 4.282 1.00 0.00 C ATOM 1396 C ALA A 92 -2.019 -11.824 4.934 1.00 0.00 C ATOM 1397 O ALA A 92 -2.030 -12.598 5.890 1.00 0.00 O ATOM 1398 CB ALA A 92 -0.170 -12.602 3.420 1.00 0.00 C ATOM 0 H ALA A 92 1.011 -11.867 5.426 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.839 -10.571 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.899 -12.829 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.776 -12.318 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.019 -13.483 4.044 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.132 -11.290 4.423 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.486 -11.584 4.883 1.00 0.00 C ATOM 1406 C VAL A 93 -5.362 -11.685 3.627 1.00 0.00 C ATOM 1407 O VAL A 93 -5.017 -11.070 2.617 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.981 -10.502 5.864 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.046 -10.350 7.071 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -5.178 -9.138 5.194 1.00 0.00 C ATOM 0 H VAL A 93 -3.111 -10.621 3.654 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.526 -12.520 5.439 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.953 -10.851 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.433 -9.578 7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.989 -11.296 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.051 -10.068 6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.527 -8.417 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.231 -8.798 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.916 -9.227 4.397 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.461 -12.455 3.639 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.281 -12.645 2.455 1.00 0.00 C ATOM 1422 C PRO A 94 -8.098 -11.399 2.105 1.00 0.00 C ATOM 1423 O PRO A 94 -8.357 -10.538 2.948 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.178 -13.846 2.763 1.00 0.00 C ATOM 1425 CG PRO A 94 -8.310 -13.804 4.285 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.960 -13.252 4.749 1.00 0.00 C ATOM 0 HA PRO A 94 -6.661 -12.824 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.148 -13.760 2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.730 -14.780 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.134 -13.163 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.501 -14.794 4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.072 -12.645 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.270 -14.059 4.994 1.00 0.00 H new ATOM 1434 N LYS A 95 -8.534 -11.348 0.842 1.00 0.00 N ATOM 1435 CA LYS A 95 -9.309 -10.270 0.244 1.00 0.00 C ATOM 1436 C LYS A 95 -10.417 -9.796 1.184 1.00 0.00 C ATOM 1437 O LYS A 95 -10.531 -8.605 1.452 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.894 -10.769 -1.089 1.00 0.00 C ATOM 1439 CG LYS A 95 -10.478 -9.630 -1.934 1.00 0.00 C ATOM 1440 CD LYS A 95 -11.018 -10.169 -3.265 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.414 -9.034 -4.217 1.00 0.00 C ATOM 1442 NZ LYS A 95 -12.515 -8.214 -3.685 1.00 0.00 N ATOM 0 H LYS A 95 -8.343 -12.100 0.180 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.659 -9.414 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.115 -11.277 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.673 -11.505 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.278 -9.135 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.710 -8.880 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.261 -10.794 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.883 -10.804 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.548 -8.399 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.710 -9.456 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.927 -7.646 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.247 -8.834 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.151 -7.582 -2.944 1.00 0.00 H new ATOM 1456 N ALA A 96 -11.227 -10.726 1.696 1.00 0.00 N ATOM 1457 CA ALA A 96 -12.315 -10.409 2.611 1.00 0.00 C ATOM 1458 C ALA A 96 -11.819 -9.541 3.772 1.00 0.00 C ATOM 1459 O ALA A 96 -12.463 -8.556 4.138 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.929 -11.709 3.137 1.00 0.00 C ATOM 0 H ALA A 96 -11.143 -11.720 1.484 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.075 -9.841 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.744 -11.475 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.314 -12.294 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.167 -12.285 3.662 1.00 0.00 H new ATOM 1466 N THR A 97 -10.685 -9.910 4.370 1.00 0.00 N ATOM 1467 CA THR A 97 -10.110 -9.162 5.472 1.00 0.00 C ATOM 1468 C THR A 97 -9.660 -7.793 4.967 1.00 0.00 C ATOM 1469 O THR A 97 -9.986 -6.787 5.593 1.00 0.00 O ATOM 1470 CB THR A 97 -8.949 -9.956 6.085 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.373 -11.282 6.324 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.487 -9.339 7.408 1.00 0.00 C ATOM 0 H THR A 97 -10.147 -10.733 4.100 1.00 0.00 H new ATOM 0 HA THR A 97 -10.852 -9.007 6.255 1.00 0.00 H new ATOM 0 HB THR A 97 -8.114 -9.936 5.384 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.697 -11.751 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.664 -9.926 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.153 -8.316 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.315 -9.335 8.117 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.933 -7.743 3.843 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.448 -6.477 3.293 1.00 0.00 C ATOM 1482 C ILE A 98 -9.630 -5.524 3.070 1.00 0.00 C ATOM 1483 O ILE A 98 -9.632 -4.410 3.588 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.650 -6.693 1.986 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -6.449 -7.623 2.224 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -7.150 -5.330 1.472 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.576 -7.844 0.985 1.00 0.00 C ATOM 0 H ILE A 98 -8.670 -8.565 3.300 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.763 -6.028 4.012 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.303 -7.158 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.832 -7.206 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.814 -8.588 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.586 -5.473 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.003 -4.679 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.507 -4.871 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.751 -8.511 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.176 -8.291 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.179 -6.888 0.644 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.639 -5.954 2.310 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.805 -5.143 1.988 1.00 0.00 C ATOM 1501 C VAL A 99 -12.483 -4.663 3.271 1.00 0.00 C ATOM 1502 O VAL A 99 -12.716 -3.467 3.411 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.769 -5.934 1.087 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -14.082 -5.172 0.854 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -12.128 -6.204 -0.282 1.00 0.00 C ATOM 0 H VAL A 99 -10.666 -6.887 1.898 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.490 -4.259 1.433 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.981 -6.871 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.737 -5.763 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.574 -4.994 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.868 -4.217 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.824 -6.764 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.890 -5.257 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -11.214 -6.783 -0.148 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.798 -5.560 4.213 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.431 -5.145 5.463 1.00 0.00 C ATOM 1517 C GLN A 100 -12.568 -4.100 6.179 1.00 0.00 C ATOM 1518 O GLN A 100 -13.073 -3.066 6.620 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.659 -6.365 6.359 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.849 -7.183 5.847 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.968 -8.505 6.593 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.872 -8.707 7.396 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -14.042 -9.419 6.328 1.00 0.00 N ATOM 0 H GLN A 100 -12.627 -6.562 4.133 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.396 -4.690 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.763 -6.985 6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.844 -6.043 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.768 -6.609 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.731 -7.373 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.304 -9.217 5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.069 -10.324 6.799 1.00 0.00 H new ATOM 1532 N THR A 101 -11.265 -4.376 6.274 1.00 0.00 N ATOM 1533 CA THR A 101 -10.303 -3.485 6.909 1.00 0.00 C ATOM 1534 C THR A 101 -10.338 -2.115 6.228 1.00 0.00 C ATOM 1535 O THR A 101 -10.330 -1.101 6.913 1.00 0.00 O ATOM 1536 CB THR A 101 -8.903 -4.124 6.890 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.942 -5.327 7.629 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.854 -3.212 7.522 1.00 0.00 C ATOM 0 H THR A 101 -10.849 -5.232 5.908 1.00 0.00 H new ATOM 0 HA THR A 101 -10.568 -3.331 7.955 1.00 0.00 H new ATOM 0 HB THR A 101 -8.629 -4.300 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.307 -6.043 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.880 -3.700 7.489 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.808 -2.273 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.124 -3.011 8.559 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.392 -2.056 4.897 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.513 -0.783 4.203 1.00 0.00 C ATOM 1548 C VAL A 102 -11.836 -0.126 4.586 1.00 0.00 C ATOM 1549 O VAL A 102 -11.845 0.982 5.115 1.00 0.00 O ATOM 1550 CB VAL A 102 -10.400 -1.004 2.684 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.874 0.209 1.872 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.948 -1.309 2.311 1.00 0.00 C ATOM 0 H VAL A 102 -10.354 -2.871 4.285 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.705 -0.114 4.498 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.049 -1.845 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.772 -0.003 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.919 0.415 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.268 1.078 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.874 -1.465 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.314 -0.471 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.620 -2.209 2.831 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.945 -0.817 4.319 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.296 -0.330 4.529 1.00 0.00 C ATOM 1564 C GLU A 103 -14.455 0.371 5.871 1.00 0.00 C ATOM 1565 O GLU A 103 -14.883 1.519 5.883 1.00 0.00 O ATOM 1566 CB GLU A 103 -15.290 -1.486 4.375 1.00 0.00 C ATOM 1567 CG GLU A 103 -15.526 -1.837 2.897 1.00 0.00 C ATOM 1568 CD GLU A 103 -16.237 -0.723 2.126 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -17.151 -0.106 2.715 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.854 -0.512 0.954 1.00 0.00 O ATOM 0 H GLU A 103 -12.919 -1.763 3.938 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.508 0.422 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.914 -2.363 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.238 -1.216 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.568 -2.047 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -16.119 -2.750 2.836 1.00 0.00 H new ATOM 1577 N LYS A 104 -14.052 -0.267 6.972 1.00 0.00 N ATOM 1578 CA LYS A 104 -14.208 0.324 8.303 1.00 0.00 C ATOM 1579 C LYS A 104 -13.582 1.726 8.428 1.00 0.00 C ATOM 1580 O LYS A 104 -14.002 2.509 9.276 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.642 -0.616 9.376 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.163 -0.947 9.179 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.375 -1.143 10.479 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.788 -2.382 11.285 1.00 0.00 C ATOM 1585 NZ LYS A 104 -13.095 -2.220 11.947 1.00 0.00 N ATOM 0 H LYS A 104 -13.617 -1.189 6.969 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.279 0.453 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.776 -0.158 10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.216 -1.542 9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.084 -1.855 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.698 -0.146 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.314 -1.216 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.501 -0.259 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.826 -3.246 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.028 -2.591 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.125 -2.807 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.232 -1.222 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.852 -2.517 11.298 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.563 2.051 7.623 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.906 3.352 7.668 1.00 0.00 C ATOM 1601 C TYR A 105 -12.711 4.411 6.901 1.00 0.00 C ATOM 1602 O TYR A 105 -12.445 5.601 7.052 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.478 3.215 7.114 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.598 2.195 7.813 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.609 2.075 9.217 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.701 1.415 7.061 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.856 1.071 9.844 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -7.938 0.418 7.691 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.051 0.216 9.077 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.249 -0.682 9.713 1.00 0.00 O ATOM 0 H TYR A 105 -12.175 1.417 6.925 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.852 3.691 8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.541 2.951 6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.991 4.188 7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.198 2.757 9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.599 1.583 5.999 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.896 0.956 10.917 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.264 -0.194 7.110 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.360 -0.677 9.300 1.00 0.00 H new