USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 526 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 50 TYR OH : rot 150:sc= 0.166 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -135:sc= 1.42 (180deg=-0.146) USER MOD Set 2.1: A 12 SER OG : rot 108:sc= 0.359 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 17:sc= 0.821! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0747 (180deg=-0.566) USER MOD Single : A 31 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.12) USER MOD Single : A 35 GLN : amide:sc= -0.816 K(o=-0.82,f=-0.045) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0.639 (180deg=0.301) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 45 SER OG : rot -170:sc= -0.739 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -156:sc= -0.161 (180deg=-0.717) USER MOD Single : A 55 THR OG1 : rot -10:sc= -0.181 USER MOD Single : A 56 THR OG1 : rot -99:sc= 0.565 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.34) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.024 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.360 -25.227 2.857 1.00 0.00 N ATOM 2 CA GLY A 1 5.332 -23.956 3.555 1.00 0.00 C ATOM 3 C GLY A 1 4.221 -23.049 3.062 1.00 0.00 C ATOM 4 O GLY A 1 3.923 -23.013 1.869 1.00 0.00 O ATOM 0 H1 GLY A 1 6.336 -25.443 2.569 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.011 -25.977 3.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.754 -25.173 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.205 -24.134 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.291 -23.454 3.427 1.00 0.00 H new ATOM 8 N SER A 2 3.604 -22.316 3.985 1.00 0.00 N ATOM 9 CA SER A 2 2.517 -21.408 3.638 1.00 0.00 C ATOM 10 C SER A 2 3.054 -20.020 3.304 1.00 0.00 C ATOM 11 O SER A 2 2.884 -19.530 2.187 1.00 0.00 O ATOM 12 CB SER A 2 1.515 -21.317 4.791 1.00 0.00 C ATOM 13 OG SER A 2 2.166 -20.991 6.007 1.00 0.00 O ATOM 0 H SER A 2 3.839 -22.334 4.978 1.00 0.00 H new ATOM 0 HA SER A 2 2.012 -21.804 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.762 -20.562 4.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.992 -22.267 4.898 1.00 0.00 H new ATOM 0 HG SER A 2 1.504 -20.937 6.728 1.00 0.00 H new ATOM 19 N SER A 3 3.700 -19.391 4.280 1.00 0.00 N ATOM 20 CA SER A 3 4.258 -18.057 4.092 1.00 0.00 C ATOM 21 C SER A 3 5.079 -17.988 2.807 1.00 0.00 C ATOM 22 O SER A 3 6.185 -18.520 2.735 1.00 0.00 O ATOM 23 CB SER A 3 5.130 -17.673 5.288 1.00 0.00 C ATOM 24 OG SER A 3 4.342 -17.462 6.447 1.00 0.00 O ATOM 0 H SER A 3 3.850 -19.784 5.209 1.00 0.00 H new ATOM 0 HA SER A 3 3.431 -17.352 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.859 -18.461 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.692 -16.768 5.057 1.00 0.00 H new ATOM 0 HG SER A 3 4.923 -17.219 7.198 1.00 0.00 H new ATOM 30 N GLY A 4 4.526 -17.328 1.794 1.00 0.00 N ATOM 31 CA GLY A 4 5.219 -17.200 0.526 1.00 0.00 C ATOM 32 C GLY A 4 4.747 -16.002 -0.275 1.00 0.00 C ATOM 33 O GLY A 4 4.271 -16.149 -1.401 1.00 0.00 O ATOM 0 H GLY A 4 3.610 -16.880 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.290 -17.112 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.069 -18.107 -0.060 1.00 0.00 H new ATOM 37 N SER A 5 4.879 -14.814 0.306 1.00 0.00 N ATOM 38 CA SER A 5 4.457 -13.587 -0.358 1.00 0.00 C ATOM 39 C SER A 5 5.659 -12.832 -0.917 1.00 0.00 C ATOM 40 O SER A 5 6.526 -12.381 -0.169 1.00 0.00 O ATOM 41 CB SER A 5 3.687 -12.693 0.616 1.00 0.00 C ATOM 42 OG SER A 5 4.557 -12.113 1.572 1.00 0.00 O ATOM 0 H SER A 5 5.275 -14.675 1.236 1.00 0.00 H new ATOM 0 HA SER A 5 3.802 -13.858 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.172 -11.907 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.921 -13.279 1.125 1.00 0.00 H new ATOM 0 HG SER A 5 5.482 -12.179 1.255 1.00 0.00 H new ATOM 48 N SER A 6 5.702 -12.696 -2.239 1.00 0.00 N ATOM 49 CA SER A 6 6.799 -12.000 -2.900 1.00 0.00 C ATOM 50 C SER A 6 6.366 -11.478 -4.267 1.00 0.00 C ATOM 51 O SER A 6 5.742 -12.196 -5.048 1.00 0.00 O ATOM 52 CB SER A 6 8.003 -12.930 -3.055 1.00 0.00 C ATOM 53 OG SER A 6 7.769 -13.904 -4.057 1.00 0.00 O ATOM 0 H SER A 6 4.990 -13.059 -2.873 1.00 0.00 H new ATOM 0 HA SER A 6 7.083 -11.151 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.887 -12.346 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.210 -13.423 -2.105 1.00 0.00 H new ATOM 0 HG SER A 6 8.554 -14.485 -4.138 1.00 0.00 H new ATOM 59 N GLY A 7 6.701 -10.223 -4.549 1.00 0.00 N ATOM 60 CA GLY A 7 6.339 -9.626 -5.821 1.00 0.00 C ATOM 61 C GLY A 7 5.552 -8.341 -5.656 1.00 0.00 C ATOM 62 O GLY A 7 6.114 -7.248 -5.725 1.00 0.00 O ATOM 0 H GLY A 7 7.217 -9.609 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.244 -9.423 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.749 -10.338 -6.398 1.00 0.00 H new ATOM 66 N MET A 8 4.248 -8.472 -5.438 1.00 0.00 N ATOM 67 CA MET A 8 3.382 -7.311 -5.262 1.00 0.00 C ATOM 68 C MET A 8 3.755 -6.541 -3.999 1.00 0.00 C ATOM 69 O MET A 8 4.624 -6.965 -3.237 1.00 0.00 O ATOM 70 CB MET A 8 1.917 -7.747 -5.194 1.00 0.00 C ATOM 71 CG MET A 8 1.567 -8.507 -3.926 1.00 0.00 C ATOM 72 SD MET A 8 -0.212 -8.658 -3.675 1.00 0.00 S ATOM 73 CE MET A 8 -0.624 -9.888 -4.910 1.00 0.00 C ATOM 0 H MET A 8 3.767 -9.370 -5.379 1.00 0.00 H new ATOM 0 HA MET A 8 3.518 -6.653 -6.120 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.280 -6.865 -5.267 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.693 -8.374 -6.057 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.010 -9.502 -3.970 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.009 -7.999 -3.069 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.695 -10.090 -4.879 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.353 -9.516 -5.898 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.075 -10.807 -4.705 1.00 0.00 H new ATOM 83 N GLU A 9 3.093 -5.408 -3.785 1.00 0.00 N ATOM 84 CA GLU A 9 3.358 -4.579 -2.614 1.00 0.00 C ATOM 85 C GLU A 9 2.405 -4.929 -1.475 1.00 0.00 C ATOM 86 O GLU A 9 1.336 -5.497 -1.697 1.00 0.00 O ATOM 87 CB GLU A 9 3.223 -3.098 -2.970 1.00 0.00 C ATOM 88 CG GLU A 9 4.319 -2.590 -3.892 1.00 0.00 C ATOM 89 CD GLU A 9 4.268 -3.229 -5.266 1.00 0.00 C ATOM 90 OE1 GLU A 9 3.361 -2.881 -6.050 1.00 0.00 O ATOM 91 OE2 GLU A 9 5.137 -4.079 -5.557 1.00 0.00 O ATOM 0 H GLU A 9 2.370 -5.043 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 9 4.379 -4.774 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.256 -2.934 -3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.231 -2.510 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.230 -1.509 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.290 -2.788 -3.439 1.00 0.00 H new ATOM 98 N GLU A 10 2.802 -4.585 -0.253 1.00 0.00 N ATOM 99 CA GLU A 10 1.984 -4.864 0.922 1.00 0.00 C ATOM 100 C GLU A 10 2.073 -3.721 1.929 1.00 0.00 C ATOM 101 O GLU A 10 3.100 -3.533 2.582 1.00 0.00 O ATOM 102 CB GLU A 10 2.426 -6.173 1.579 1.00 0.00 C ATOM 103 CG GLU A 10 1.600 -6.551 2.797 1.00 0.00 C ATOM 104 CD GLU A 10 2.089 -7.825 3.461 1.00 0.00 C ATOM 105 OE1 GLU A 10 1.749 -8.920 2.967 1.00 0.00 O ATOM 106 OE2 GLU A 10 2.812 -7.725 4.474 1.00 0.00 O ATOM 0 H GLU A 10 3.684 -4.113 -0.051 1.00 0.00 H new ATOM 0 HA GLU A 10 0.948 -4.961 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.365 -6.977 0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.472 -6.088 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.630 -5.735 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.559 -6.677 2.500 1.00 0.00 H new ATOM 113 N TRP A 11 0.990 -2.961 2.049 1.00 0.00 N ATOM 114 CA TRP A 11 0.945 -1.837 2.977 1.00 0.00 C ATOM 115 C TRP A 11 0.244 -2.228 4.273 1.00 0.00 C ATOM 116 O TRP A 11 -0.914 -2.645 4.261 1.00 0.00 O ATOM 117 CB TRP A 11 0.229 -0.648 2.334 1.00 0.00 C ATOM 118 CG TRP A 11 1.082 0.099 1.353 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.607 -0.385 0.188 1.00 0.00 C ATOM 120 CD2 TRP A 11 1.509 1.462 1.452 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.334 0.595 -0.443 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.289 1.738 0.312 1.00 0.00 C ATOM 123 CE3 TRP A 11 1.307 2.477 2.392 1.00 0.00 C ATOM 124 CZ2 TRP A 11 2.867 2.984 0.090 1.00 0.00 C ATOM 125 CZ3 TRP A 11 1.881 3.714 2.169 1.00 0.00 C ATOM 126 CH2 TRP A 11 2.653 3.960 1.026 1.00 0.00 C ATOM 0 H TRP A 11 0.132 -3.103 1.516 1.00 0.00 H new ATOM 0 HA TRP A 11 1.970 -1.551 3.213 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.668 -1.004 1.827 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.097 0.037 3.117 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.470 -1.390 -0.182 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.827 0.489 -1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.713 2.298 3.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.464 3.175 -0.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.732 4.505 2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.087 4.938 0.881 1.00 0.00 H new ATOM 137 N SER A 12 0.952 -2.089 5.389 1.00 0.00 N ATOM 138 CA SER A 12 0.398 -2.431 6.693 1.00 0.00 C ATOM 139 C SER A 12 -0.512 -1.320 7.206 1.00 0.00 C ATOM 140 O SER A 12 -0.339 -0.152 6.860 1.00 0.00 O ATOM 141 CB SER A 12 1.523 -2.689 7.697 1.00 0.00 C ATOM 142 OG SER A 12 2.095 -1.473 8.146 1.00 0.00 O ATOM 0 H SER A 12 1.911 -1.742 5.416 1.00 0.00 H new ATOM 0 HA SER A 12 -0.195 -3.339 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.134 -3.248 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.292 -3.308 7.235 1.00 0.00 H new ATOM 0 HG SER A 12 1.825 -1.307 9.073 1.00 0.00 H new ATOM 148 N ALA A 13 -1.483 -1.692 8.034 1.00 0.00 N ATOM 149 CA ALA A 13 -2.419 -0.727 8.597 1.00 0.00 C ATOM 150 C ALA A 13 -1.698 0.538 9.050 1.00 0.00 C ATOM 151 O ALA A 13 -2.071 1.647 8.667 1.00 0.00 O ATOM 152 CB ALA A 13 -3.181 -1.347 9.759 1.00 0.00 C ATOM 0 H ALA A 13 -1.642 -2.655 8.330 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.129 -0.450 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.876 -0.615 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.736 -2.217 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.478 -1.654 10.533 1.00 0.00 H new ATOM 158 N SER A 14 -0.664 0.364 9.866 1.00 0.00 N ATOM 159 CA SER A 14 0.107 1.493 10.374 1.00 0.00 C ATOM 160 C SER A 14 0.694 2.311 9.227 1.00 0.00 C ATOM 161 O SER A 14 0.543 3.531 9.181 1.00 0.00 O ATOM 162 CB SER A 14 1.228 1.000 11.291 1.00 0.00 C ATOM 163 OG SER A 14 2.150 0.191 10.581 1.00 0.00 O ATOM 0 H SER A 14 -0.340 -0.548 10.190 1.00 0.00 H new ATOM 0 HA SER A 14 -0.565 2.133 10.946 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.748 1.854 11.726 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.802 0.431 12.118 1.00 0.00 H new ATOM 0 HG SER A 14 2.857 -0.110 11.189 1.00 0.00 H new ATOM 169 N GLU A 15 1.364 1.627 8.305 1.00 0.00 N ATOM 170 CA GLU A 15 1.975 2.290 7.159 1.00 0.00 C ATOM 171 C GLU A 15 0.948 3.128 6.403 1.00 0.00 C ATOM 172 O GLU A 15 1.139 4.326 6.197 1.00 0.00 O ATOM 173 CB GLU A 15 2.599 1.257 6.218 1.00 0.00 C ATOM 174 CG GLU A 15 3.977 0.790 6.655 1.00 0.00 C ATOM 175 CD GLU A 15 4.461 -0.413 5.868 1.00 0.00 C ATOM 176 OE1 GLU A 15 3.806 -1.474 5.941 1.00 0.00 O ATOM 177 OE2 GLU A 15 5.496 -0.293 5.179 1.00 0.00 O ATOM 0 H GLU A 15 1.497 0.616 8.329 1.00 0.00 H new ATOM 0 HA GLU A 15 2.757 2.953 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.937 0.394 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.670 1.685 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.688 1.607 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.953 0.540 7.716 1.00 0.00 H new ATOM 184 N ALA A 16 -0.142 2.488 5.993 1.00 0.00 N ATOM 185 CA ALA A 16 -1.201 3.173 5.262 1.00 0.00 C ATOM 186 C ALA A 16 -1.586 4.479 5.949 1.00 0.00 C ATOM 187 O ALA A 16 -1.775 5.504 5.293 1.00 0.00 O ATOM 188 CB ALA A 16 -2.417 2.269 5.123 1.00 0.00 C ATOM 0 H ALA A 16 -0.315 1.496 6.155 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.825 3.413 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.200 2.794 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.138 1.365 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.785 2.000 6.113 1.00 0.00 H new ATOM 194 N CYS A 17 -1.701 4.434 7.271 1.00 0.00 N ATOM 195 CA CYS A 17 -2.065 5.615 8.047 1.00 0.00 C ATOM 196 C CYS A 17 -0.959 6.663 7.993 1.00 0.00 C ATOM 197 O CYS A 17 -1.221 7.847 7.770 1.00 0.00 O ATOM 198 CB CYS A 17 -2.347 5.228 9.500 1.00 0.00 C ATOM 199 SG CYS A 17 -2.662 6.636 10.590 1.00 0.00 S ATOM 0 H CYS A 17 -1.548 3.594 7.828 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.967 6.043 7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.209 4.561 9.527 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.497 4.666 9.887 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.892 6.208 11.796 1.00 0.00 H new ATOM 205 N LEU A 18 0.277 6.224 8.200 1.00 0.00 N ATOM 206 CA LEU A 18 1.424 7.125 8.177 1.00 0.00 C ATOM 207 C LEU A 18 1.394 8.012 6.936 1.00 0.00 C ATOM 208 O LEU A 18 1.658 9.212 7.012 1.00 0.00 O ATOM 209 CB LEU A 18 2.727 6.325 8.214 1.00 0.00 C ATOM 210 CG LEU A 18 3.288 6.019 9.603 1.00 0.00 C ATOM 211 CD1 LEU A 18 4.423 5.011 9.510 1.00 0.00 C ATOM 212 CD2 LEU A 18 3.760 7.297 10.280 1.00 0.00 C ATOM 0 H LEU A 18 0.511 5.249 8.386 1.00 0.00 H new ATOM 0 HA LEU A 18 1.372 7.763 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.565 5.381 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.483 6.874 7.652 1.00 0.00 H new ATOM 0 HG LEU A 18 2.493 5.584 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.810 4.805 10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.053 4.086 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.221 5.418 8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.156 7.061 11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.541 7.761 9.677 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.922 7.986 10.381 1.00 0.00 H new ATOM 224 N PHE A 19 1.069 7.414 5.795 1.00 0.00 N ATOM 225 CA PHE A 19 1.003 8.150 4.538 1.00 0.00 C ATOM 226 C PHE A 19 0.095 9.370 4.668 1.00 0.00 C ATOM 227 O PHE A 19 0.536 10.505 4.497 1.00 0.00 O ATOM 228 CB PHE A 19 0.497 7.242 3.416 1.00 0.00 C ATOM 229 CG PHE A 19 0.349 7.943 2.097 1.00 0.00 C ATOM 230 CD1 PHE A 19 1.413 8.635 1.541 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.855 7.912 1.411 1.00 0.00 C ATOM 232 CE1 PHE A 19 1.281 9.281 0.327 1.00 0.00 C ATOM 233 CE2 PHE A 19 -0.993 8.556 0.197 1.00 0.00 C ATOM 234 CZ PHE A 19 0.075 9.243 -0.345 1.00 0.00 C ATOM 0 H PHE A 19 0.847 6.422 5.715 1.00 0.00 H new ATOM 0 HA PHE A 19 2.009 8.492 4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.186 6.406 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.467 6.823 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.358 8.670 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.695 7.378 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.119 9.815 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.936 8.522 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.032 9.750 -1.293 1.00 0.00 H new ATOM 244 N GLU A 20 -1.176 9.124 4.974 1.00 0.00 N ATOM 245 CA GLU A 20 -2.146 10.201 5.126 1.00 0.00 C ATOM 246 C GLU A 20 -1.534 11.383 5.873 1.00 0.00 C ATOM 247 O GLU A 20 -1.460 12.492 5.345 1.00 0.00 O ATOM 248 CB GLU A 20 -3.385 9.700 5.870 1.00 0.00 C ATOM 249 CG GLU A 20 -4.456 9.129 4.956 1.00 0.00 C ATOM 250 CD GLU A 20 -5.183 10.203 4.169 1.00 0.00 C ATOM 251 OE1 GLU A 20 -4.539 10.850 3.314 1.00 0.00 O ATOM 252 OE2 GLU A 20 -6.393 10.397 4.406 1.00 0.00 O ATOM 0 H GLU A 20 -1.557 8.189 5.121 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.439 10.535 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.084 8.934 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.811 10.523 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.999 8.423 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.177 8.569 5.552 1.00 0.00 H new ATOM 259 N GLU A 21 -1.097 11.136 7.105 1.00 0.00 N ATOM 260 CA GLU A 21 -0.492 12.180 7.923 1.00 0.00 C ATOM 261 C GLU A 21 0.751 12.750 7.249 1.00 0.00 C ATOM 262 O GLU A 21 0.998 13.955 7.295 1.00 0.00 O ATOM 263 CB GLU A 21 -0.129 11.628 9.304 1.00 0.00 C ATOM 264 CG GLU A 21 0.824 10.447 9.256 1.00 0.00 C ATOM 265 CD GLU A 21 1.343 10.060 10.627 1.00 0.00 C ATOM 266 OE1 GLU A 21 2.057 10.877 11.245 1.00 0.00 O ATOM 267 OE2 GLU A 21 1.034 8.939 11.083 1.00 0.00 O ATOM 0 H GLU A 21 -1.151 10.223 7.557 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.220 12.983 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.322 12.424 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.042 11.326 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.315 9.592 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.666 10.691 8.608 1.00 0.00 H new ATOM 274 N ALA A 22 1.531 11.875 6.622 1.00 0.00 N ATOM 275 CA ALA A 22 2.748 12.291 5.935 1.00 0.00 C ATOM 276 C ALA A 22 2.468 13.436 4.968 1.00 0.00 C ATOM 277 O ALA A 22 3.259 14.374 4.856 1.00 0.00 O ATOM 278 CB ALA A 22 3.366 11.112 5.197 1.00 0.00 C ATOM 0 H ALA A 22 1.342 10.874 6.576 1.00 0.00 H new ATOM 0 HA ALA A 22 3.455 12.648 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.274 11.436 4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.611 10.325 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.656 10.729 4.464 1.00 0.00 H new ATOM 284 N LEU A 23 1.342 13.353 4.269 1.00 0.00 N ATOM 285 CA LEU A 23 0.958 14.382 3.310 1.00 0.00 C ATOM 286 C LEU A 23 0.487 15.645 4.025 1.00 0.00 C ATOM 287 O LEU A 23 0.753 16.759 3.576 1.00 0.00 O ATOM 288 CB LEU A 23 -0.146 13.862 2.388 1.00 0.00 C ATOM 289 CG LEU A 23 -0.170 14.445 0.975 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.095 14.070 0.220 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.404 13.969 0.222 1.00 0.00 C ATOM 0 H LEU A 23 0.678 12.583 4.349 1.00 0.00 H new ATOM 0 HA LEU A 23 1.835 14.631 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.047 12.779 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.109 14.062 2.858 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.213 15.531 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.059 14.494 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.964 14.462 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.170 12.985 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.404 14.394 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.392 12.881 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.300 14.291 0.752 1.00 0.00 H new ATOM 303 N GLU A 24 -0.213 15.461 5.141 1.00 0.00 N ATOM 304 CA GLU A 24 -0.718 16.586 5.918 1.00 0.00 C ATOM 305 C GLU A 24 0.426 17.365 6.558 1.00 0.00 C ATOM 306 O GLU A 24 0.375 18.591 6.667 1.00 0.00 O ATOM 307 CB GLU A 24 -1.683 16.094 6.999 1.00 0.00 C ATOM 308 CG GLU A 24 -3.070 15.765 6.475 1.00 0.00 C ATOM 309 CD GLU A 24 -4.148 15.936 7.528 1.00 0.00 C ATOM 310 OE1 GLU A 24 -3.911 16.681 8.501 1.00 0.00 O ATOM 311 OE2 GLU A 24 -5.227 15.326 7.378 1.00 0.00 O ATOM 0 H GLU A 24 -0.442 14.545 5.526 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.251 17.252 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.263 15.206 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.768 16.857 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.294 16.407 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.083 14.738 6.111 1.00 0.00 H new ATOM 318 N LYS A 25 1.461 16.645 6.978 1.00 0.00 N ATOM 319 CA LYS A 25 2.622 17.266 7.606 1.00 0.00 C ATOM 320 C LYS A 25 3.611 17.758 6.556 1.00 0.00 C ATOM 321 O LYS A 25 3.864 18.957 6.441 1.00 0.00 O ATOM 322 CB LYS A 25 3.310 16.274 8.546 1.00 0.00 C ATOM 323 CG LYS A 25 4.079 16.940 9.675 1.00 0.00 C ATOM 324 CD LYS A 25 4.980 15.950 10.394 1.00 0.00 C ATOM 325 CE LYS A 25 6.117 16.656 11.117 1.00 0.00 C ATOM 326 NZ LYS A 25 6.739 15.787 12.154 1.00 0.00 N ATOM 0 H LYS A 25 1.520 15.630 6.895 1.00 0.00 H new ATOM 0 HA LYS A 25 2.276 18.124 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.559 15.609 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.994 15.653 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.680 17.757 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.378 17.378 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.393 15.375 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.389 15.240 9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.875 16.958 10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.741 17.566 11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.509 16.304 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.022 15.519 12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.121 14.930 11.705 1.00 0.00 H new ATOM 340 N TYR A 26 4.166 16.825 5.790 1.00 0.00 N ATOM 341 CA TYR A 26 5.130 17.163 4.749 1.00 0.00 C ATOM 342 C TYR A 26 4.421 17.630 3.482 1.00 0.00 C ATOM 343 O TYR A 26 4.496 18.799 3.109 1.00 0.00 O ATOM 344 CB TYR A 26 6.019 15.959 4.437 1.00 0.00 C ATOM 345 CG TYR A 26 7.231 15.851 5.335 1.00 0.00 C ATOM 346 CD1 TYR A 26 8.036 16.955 5.585 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.569 14.644 5.935 1.00 0.00 C ATOM 348 CE1 TYR A 26 9.144 16.860 6.405 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.674 14.540 6.757 1.00 0.00 C ATOM 350 CZ TYR A 26 9.459 15.651 6.988 1.00 0.00 C ATOM 351 OH TYR A 26 10.560 15.553 7.807 1.00 0.00 O ATOM 0 H TYR A 26 3.965 15.828 5.870 1.00 0.00 H new ATOM 0 HA TYR A 26 5.753 17.979 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.427 15.048 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.350 16.021 3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.792 17.904 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.957 13.772 5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.760 17.728 6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.922 13.595 7.216 1.00 0.00 H new ATOM 0 HH TYR A 26 10.641 14.634 8.138 1.00 0.00 H new ATOM 361 N GLY A 27 3.730 16.703 2.824 1.00 0.00 N ATOM 362 CA GLY A 27 3.016 17.036 1.605 1.00 0.00 C ATOM 363 C GLY A 27 3.523 16.261 0.405 1.00 0.00 C ATOM 364 O GLY A 27 4.213 15.252 0.554 1.00 0.00 O ATOM 0 H GLY A 27 3.652 15.728 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.954 16.832 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.113 18.104 1.411 1.00 0.00 H new ATOM 368 N LYS A 28 3.179 16.731 -0.789 1.00 0.00 N ATOM 369 CA LYS A 28 3.603 16.075 -2.021 1.00 0.00 C ATOM 370 C LYS A 28 5.046 15.594 -1.912 1.00 0.00 C ATOM 371 O LYS A 28 5.450 14.654 -2.597 1.00 0.00 O ATOM 372 CB LYS A 28 3.462 17.032 -3.207 1.00 0.00 C ATOM 373 CG LYS A 28 3.100 16.337 -4.509 1.00 0.00 C ATOM 374 CD LYS A 28 3.687 17.062 -5.708 1.00 0.00 C ATOM 375 CE LYS A 28 5.070 16.532 -6.057 1.00 0.00 C ATOM 376 NZ LYS A 28 6.140 17.224 -5.287 1.00 0.00 N ATOM 0 H LYS A 28 2.608 17.564 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 28 2.961 15.209 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.697 17.774 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.399 17.572 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.465 15.310 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.016 16.288 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.024 16.945 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.748 18.129 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.111 15.462 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.250 16.661 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.055 17.083 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.929 18.241 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.184 16.832 -4.325 1.00 0.00 H new ATOM 390 N ASP A 29 5.817 16.241 -1.045 1.00 0.00 N ATOM 391 CA ASP A 29 7.215 15.877 -0.846 1.00 0.00 C ATOM 392 C ASP A 29 7.335 14.448 -0.328 1.00 0.00 C ATOM 393 O ASP A 29 7.000 14.162 0.823 1.00 0.00 O ATOM 394 CB ASP A 29 7.881 16.845 0.134 1.00 0.00 C ATOM 395 CG ASP A 29 8.359 18.115 -0.543 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.256 18.025 -1.407 1.00 0.00 O ATOM 397 OD2 ASP A 29 7.838 19.200 -0.207 1.00 0.00 O ATOM 0 H ASP A 29 5.498 17.020 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 29 7.722 15.940 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.175 17.101 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.727 16.350 0.611 1.00 0.00 H new ATOM 402 N PHE A 30 7.814 13.551 -1.184 1.00 0.00 N ATOM 403 CA PHE A 30 7.977 12.150 -0.814 1.00 0.00 C ATOM 404 C PHE A 30 9.327 11.918 -0.143 1.00 0.00 C ATOM 405 O PHE A 30 9.458 11.066 0.734 1.00 0.00 O ATOM 406 CB PHE A 30 7.847 11.256 -2.049 1.00 0.00 C ATOM 407 CG PHE A 30 6.813 11.732 -3.028 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.498 11.921 -2.630 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.154 11.992 -4.345 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.545 12.359 -3.529 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.204 12.429 -5.250 1.00 0.00 C ATOM 412 CZ PHE A 30 4.898 12.614 -4.840 1.00 0.00 C ATOM 0 H PHE A 30 8.096 13.770 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 30 7.190 11.894 -0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.813 11.201 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.595 10.244 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.216 11.724 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.175 11.852 -4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.524 12.502 -3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.483 12.625 -6.275 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.154 12.958 -5.543 1.00 0.00 H new ATOM 422 N ASN A 31 10.329 12.683 -0.564 1.00 0.00 N ATOM 423 CA ASN A 31 11.671 12.560 -0.005 1.00 0.00 C ATOM 424 C ASN A 31 11.643 12.702 1.514 1.00 0.00 C ATOM 425 O ASN A 31 11.890 11.741 2.241 1.00 0.00 O ATOM 426 CB ASN A 31 12.597 13.617 -0.611 1.00 0.00 C ATOM 427 CG ASN A 31 12.539 13.636 -2.127 1.00 0.00 C ATOM 428 OD1 ASN A 31 11.885 14.492 -2.722 1.00 0.00 O ATOM 429 ND2 ASN A 31 13.225 12.691 -2.757 1.00 0.00 N ATOM 0 H ASN A 31 10.238 13.394 -1.290 1.00 0.00 H new ATOM 0 HA ASN A 31 12.051 11.569 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.322 14.600 -0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.621 13.425 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.224 12.654 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.753 12.002 -2.222 1.00 0.00 H new ATOM 436 N ASP A 32 11.341 13.908 1.983 1.00 0.00 N ATOM 437 CA ASP A 32 11.279 14.177 3.415 1.00 0.00 C ATOM 438 C ASP A 32 10.615 13.020 4.157 1.00 0.00 C ATOM 439 O ASP A 32 11.139 12.531 5.158 1.00 0.00 O ATOM 440 CB ASP A 32 10.514 15.474 3.680 1.00 0.00 C ATOM 441 CG ASP A 32 9.320 15.641 2.759 1.00 0.00 C ATOM 442 OD1 ASP A 32 9.021 14.695 2.000 1.00 0.00 O ATOM 443 OD2 ASP A 32 8.686 16.716 2.800 1.00 0.00 O ATOM 0 H ASP A 32 11.135 14.714 1.393 1.00 0.00 H new ATOM 0 HA ASP A 32 12.299 14.285 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.175 15.487 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.187 16.322 3.554 1.00 0.00 H new ATOM 448 N ILE A 33 9.461 12.590 3.660 1.00 0.00 N ATOM 449 CA ILE A 33 8.726 11.492 4.275 1.00 0.00 C ATOM 450 C ILE A 33 9.543 10.203 4.253 1.00 0.00 C ATOM 451 O ILE A 33 10.015 9.738 5.290 1.00 0.00 O ATOM 452 CB ILE A 33 7.382 11.247 3.566 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.488 12.483 3.679 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.686 10.028 4.156 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.457 12.586 2.577 1.00 0.00 C ATOM 0 H ILE A 33 9.014 12.985 2.833 1.00 0.00 H new ATOM 0 HA ILE A 33 8.534 11.780 5.309 1.00 0.00 H new ATOM 0 HB ILE A 33 7.575 11.056 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.978 12.466 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.113 13.376 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.737 9.868 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.320 9.150 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.502 10.192 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.859 13.486 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.960 12.635 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.808 11.711 2.603 1.00 0.00 H new ATOM 467 N ARG A 34 9.706 9.634 3.063 1.00 0.00 N ATOM 468 CA ARG A 34 10.465 8.400 2.906 1.00 0.00 C ATOM 469 C ARG A 34 11.746 8.439 3.734 1.00 0.00 C ATOM 470 O ARG A 34 12.288 7.400 4.108 1.00 0.00 O ATOM 471 CB ARG A 34 10.806 8.170 1.432 1.00 0.00 C ATOM 472 CG ARG A 34 11.740 6.995 1.198 1.00 0.00 C ATOM 473 CD ARG A 34 12.426 7.088 -0.156 1.00 0.00 C ATOM 474 NE ARG A 34 13.673 6.328 -0.193 1.00 0.00 N ATOM 475 CZ ARG A 34 14.833 6.800 0.251 1.00 0.00 C ATOM 476 NH1 ARG A 34 14.906 8.021 0.762 1.00 0.00 N ATOM 477 NH2 ARG A 34 15.925 6.048 0.184 1.00 0.00 N ATOM 0 H ARG A 34 9.323 10.008 2.195 1.00 0.00 H new ATOM 0 HA ARG A 34 9.847 7.576 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.883 8.006 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.264 9.073 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.492 6.964 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.177 6.064 1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.753 6.717 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.632 8.133 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 34 13.652 5.385 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.070 8.602 0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.799 8.379 1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.874 5.108 -0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.815 6.410 0.525 1.00 0.00 H new ATOM 491 N GLN A 35 12.225 9.647 4.016 1.00 0.00 N ATOM 492 CA GLN A 35 13.443 9.823 4.799 1.00 0.00 C ATOM 493 C GLN A 35 13.253 9.306 6.221 1.00 0.00 C ATOM 494 O GLN A 35 13.908 8.348 6.636 1.00 0.00 O ATOM 495 CB GLN A 35 13.848 11.297 4.829 1.00 0.00 C ATOM 496 CG GLN A 35 15.281 11.525 5.279 1.00 0.00 C ATOM 497 CD GLN A 35 16.286 11.288 4.169 1.00 0.00 C ATOM 498 OE1 GLN A 35 16.796 12.232 3.565 1.00 0.00 O ATOM 499 NE2 GLN A 35 16.578 10.022 3.895 1.00 0.00 N ATOM 0 H GLN A 35 11.788 10.518 3.714 1.00 0.00 H new ATOM 0 HA GLN A 35 14.237 9.247 4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.717 11.722 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.176 11.836 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.385 12.546 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.505 10.862 6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.132 9.270 4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.249 9.801 3.159 1.00 0.00 H new ATOM 508 N ASP A 36 12.357 9.946 6.964 1.00 0.00 N ATOM 509 CA ASP A 36 12.082 9.551 8.340 1.00 0.00 C ATOM 510 C ASP A 36 10.802 8.724 8.423 1.00 0.00 C ATOM 511 O ASP A 36 10.828 7.558 8.817 1.00 0.00 O ATOM 512 CB ASP A 36 11.964 10.786 9.234 1.00 0.00 C ATOM 513 CG ASP A 36 13.294 11.194 9.837 1.00 0.00 C ATOM 514 OD1 ASP A 36 14.131 10.301 10.086 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.498 12.405 10.058 1.00 0.00 O ATOM 0 H ASP A 36 11.809 10.741 6.636 1.00 0.00 H new ATOM 0 HA ASP A 36 12.913 8.938 8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.563 11.615 8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.252 10.585 10.034 1.00 0.00 H new ATOM 520 N PHE A 37 9.683 9.336 8.049 1.00 0.00 N ATOM 521 CA PHE A 37 8.393 8.658 8.082 1.00 0.00 C ATOM 522 C PHE A 37 8.553 7.170 7.786 1.00 0.00 C ATOM 523 O PHE A 37 8.318 6.324 8.650 1.00 0.00 O ATOM 524 CB PHE A 37 7.434 9.290 7.071 1.00 0.00 C ATOM 525 CG PHE A 37 6.675 10.466 7.619 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.326 11.655 7.901 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.312 10.379 7.852 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.631 12.739 8.405 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.613 11.460 8.355 1.00 0.00 C ATOM 530 CZ PHE A 37 5.273 12.641 8.633 1.00 0.00 C ATOM 0 H PHE A 37 9.644 10.301 7.720 1.00 0.00 H new ATOM 0 HA PHE A 37 7.978 8.769 9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.000 9.609 6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.724 8.535 6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.388 11.737 7.725 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.791 9.458 7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.150 13.661 8.620 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.550 11.381 8.531 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.728 13.486 9.028 1.00 0.00 H new ATOM 540 N LEU A 38 8.955 6.856 6.559 1.00 0.00 N ATOM 541 CA LEU A 38 9.146 5.470 6.147 1.00 0.00 C ATOM 542 C LEU A 38 10.454 5.307 5.379 1.00 0.00 C ATOM 543 O LEU A 38 10.521 5.517 4.168 1.00 0.00 O ATOM 544 CB LEU A 38 7.972 5.008 5.283 1.00 0.00 C ATOM 545 CG LEU A 38 6.587 5.113 5.920 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.523 5.326 4.856 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.281 3.867 6.740 1.00 0.00 C ATOM 0 H LEU A 38 9.155 7.543 5.832 1.00 0.00 H new ATOM 0 HA LEU A 38 9.193 4.852 7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.972 5.593 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.142 3.969 5.000 1.00 0.00 H new ATOM 0 HG LEU A 38 6.581 5.975 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.544 5.398 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.732 6.247 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.529 4.486 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.291 3.959 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.307 2.990 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.026 3.758 7.529 1.00 0.00 H new ATOM 559 N PRO A 39 11.518 4.920 6.097 1.00 0.00 N ATOM 560 CA PRO A 39 12.842 4.716 5.503 1.00 0.00 C ATOM 561 C PRO A 39 12.888 3.492 4.594 1.00 0.00 C ATOM 562 O PRO A 39 13.338 3.573 3.452 1.00 0.00 O ATOM 563 CB PRO A 39 13.749 4.513 6.720 1.00 0.00 C ATOM 564 CG PRO A 39 12.845 4.000 7.786 1.00 0.00 C ATOM 565 CD PRO A 39 11.510 4.651 7.546 1.00 0.00 C ATOM 0 HA PRO A 39 13.137 5.552 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.548 3.804 6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.224 5.447 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.764 2.914 7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.228 4.249 8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.686 3.995 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.400 5.568 8.125 1.00 0.00 H new ATOM 573 N TRP A 40 12.421 2.361 5.109 1.00 0.00 N ATOM 574 CA TRP A 40 12.408 1.120 4.343 1.00 0.00 C ATOM 575 C TRP A 40 11.637 1.294 3.039 1.00 0.00 C ATOM 576 O TRP A 40 12.119 0.922 1.968 1.00 0.00 O ATOM 577 CB TRP A 40 11.788 -0.007 5.169 1.00 0.00 C ATOM 578 CG TRP A 40 10.409 0.308 5.665 1.00 0.00 C ATOM 579 CD1 TRP A 40 9.236 0.130 4.989 1.00 0.00 C ATOM 580 CD2 TRP A 40 10.060 0.859 6.940 1.00 0.00 C ATOM 581 NE1 TRP A 40 8.178 0.536 5.768 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.658 0.986 6.968 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.796 1.253 8.059 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.979 1.494 8.074 1.00 0.00 C ATOM 585 CZ3 TRP A 40 10.121 1.757 9.156 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.725 1.873 9.156 1.00 0.00 C ATOM 0 H TRP A 40 12.046 2.277 6.054 1.00 0.00 H new ATOM 0 HA TRP A 40 13.439 0.860 4.103 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.750 -0.913 4.564 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.433 -0.220 6.022 1.00 0.00 H new ATOM 0 HD1 TRP A 40 9.152 -0.271 3.990 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.195 0.507 5.496 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.872 1.166 8.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.903 1.585 8.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.680 2.066 10.027 1.00 0.00 H new ATOM 0 HH2 TRP A 40 8.227 2.270 10.028 1.00 0.00 H new ATOM 597 N LYS A 41 10.440 1.860 3.135 1.00 0.00 N ATOM 598 CA LYS A 41 9.603 2.085 1.962 1.00 0.00 C ATOM 599 C LYS A 41 10.349 2.898 0.909 1.00 0.00 C ATOM 600 O LYS A 41 11.144 3.778 1.238 1.00 0.00 O ATOM 601 CB LYS A 41 8.315 2.808 2.361 1.00 0.00 C ATOM 602 CG LYS A 41 7.245 1.883 2.915 1.00 0.00 C ATOM 603 CD LYS A 41 6.390 1.292 1.807 1.00 0.00 C ATOM 604 CE LYS A 41 5.444 0.227 2.341 1.00 0.00 C ATOM 605 NZ LYS A 41 4.400 -0.138 1.344 1.00 0.00 N ATOM 0 H LYS A 41 10.027 2.172 4.014 1.00 0.00 H new ATOM 0 HA LYS A 41 9.351 1.114 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.550 3.566 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.917 3.330 1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.715 1.079 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.611 2.434 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.815 2.084 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.033 0.858 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.014 -0.662 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.966 0.589 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.059 -1.102 1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.606 0.530 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.805 -0.098 0.387 1.00 0.00 H new ATOM 619 N SER A 42 10.086 2.597 -0.359 1.00 0.00 N ATOM 620 CA SER A 42 10.735 3.298 -1.461 1.00 0.00 C ATOM 621 C SER A 42 10.107 4.672 -1.676 1.00 0.00 C ATOM 622 O SER A 42 9.065 4.988 -1.099 1.00 0.00 O ATOM 623 CB SER A 42 10.637 2.474 -2.746 1.00 0.00 C ATOM 624 OG SER A 42 11.496 1.347 -2.697 1.00 0.00 O ATOM 0 H SER A 42 9.428 1.873 -0.648 1.00 0.00 H new ATOM 0 HA SER A 42 11.786 3.434 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.608 2.145 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.898 3.097 -3.602 1.00 0.00 H new ATOM 0 HG SER A 42 11.413 0.836 -3.529 1.00 0.00 H new ATOM 630 N LEU A 43 10.748 5.485 -2.509 1.00 0.00 N ATOM 631 CA LEU A 43 10.253 6.826 -2.801 1.00 0.00 C ATOM 632 C LEU A 43 8.981 6.766 -3.640 1.00 0.00 C ATOM 633 O LEU A 43 7.921 7.227 -3.215 1.00 0.00 O ATOM 634 CB LEU A 43 11.323 7.636 -3.534 1.00 0.00 C ATOM 635 CG LEU A 43 10.897 9.020 -4.027 1.00 0.00 C ATOM 636 CD1 LEU A 43 11.005 10.042 -2.905 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.740 9.444 -5.220 1.00 0.00 C ATOM 0 H LEU A 43 11.611 5.239 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 43 10.019 7.315 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.178 7.757 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.665 7.056 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 43 9.856 8.967 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.698 11.021 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.358 9.746 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.037 10.093 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.423 10.431 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.790 9.480 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.612 8.725 -6.030 1.00 0.00 H new ATOM 649 N THR A 44 9.092 6.193 -4.834 1.00 0.00 N ATOM 650 CA THR A 44 7.950 6.072 -5.733 1.00 0.00 C ATOM 651 C THR A 44 6.853 5.212 -5.115 1.00 0.00 C ATOM 652 O THR A 44 5.680 5.583 -5.127 1.00 0.00 O ATOM 653 CB THR A 44 8.363 5.461 -7.086 1.00 0.00 C ATOM 654 OG1 THR A 44 9.706 5.841 -7.404 1.00 0.00 O ATOM 655 CG2 THR A 44 7.426 5.918 -8.193 1.00 0.00 C ATOM 0 H THR A 44 9.961 5.805 -5.201 1.00 0.00 H new ATOM 0 HA THR A 44 7.569 7.080 -5.898 1.00 0.00 H new ATOM 0 HB THR A 44 8.302 4.376 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.962 5.448 -8.264 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.737 5.474 -9.139 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.408 5.603 -7.961 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.460 7.005 -8.273 1.00 0.00 H new ATOM 663 N SER A 45 7.242 4.062 -4.574 1.00 0.00 N ATOM 664 CA SER A 45 6.290 3.149 -3.954 1.00 0.00 C ATOM 665 C SER A 45 5.240 3.917 -3.157 1.00 0.00 C ATOM 666 O SER A 45 4.048 3.618 -3.233 1.00 0.00 O ATOM 667 CB SER A 45 7.019 2.163 -3.039 1.00 0.00 C ATOM 668 OG SER A 45 7.754 1.214 -3.793 1.00 0.00 O ATOM 0 H SER A 45 8.210 3.741 -4.553 1.00 0.00 H new ATOM 0 HA SER A 45 5.787 2.595 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.693 2.707 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.297 1.648 -2.406 1.00 0.00 H new ATOM 0 HG SER A 45 8.080 0.506 -3.199 1.00 0.00 H new ATOM 674 N ILE A 46 5.692 4.908 -2.396 1.00 0.00 N ATOM 675 CA ILE A 46 4.791 5.719 -1.587 1.00 0.00 C ATOM 676 C ILE A 46 3.917 6.610 -2.463 1.00 0.00 C ATOM 677 O ILE A 46 2.735 6.809 -2.178 1.00 0.00 O ATOM 678 CB ILE A 46 5.570 6.602 -0.593 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.390 5.732 0.361 1.00 0.00 C ATOM 680 CG2 ILE A 46 4.613 7.494 0.184 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.446 6.501 1.124 1.00 0.00 C ATOM 0 H ILE A 46 6.676 5.168 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 46 4.158 5.028 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 46 6.255 7.238 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.717 5.252 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.871 4.937 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.177 8.112 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.069 8.135 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.906 6.875 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.988 5.821 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.142 6.958 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.970 7.279 1.721 1.00 0.00 H new ATOM 693 N ILE A 47 4.504 7.142 -3.530 1.00 0.00 N ATOM 694 CA ILE A 47 3.778 8.009 -4.449 1.00 0.00 C ATOM 695 C ILE A 47 2.552 7.302 -5.018 1.00 0.00 C ATOM 696 O ILE A 47 1.447 7.842 -4.995 1.00 0.00 O ATOM 697 CB ILE A 47 4.674 8.473 -5.612 1.00 0.00 C ATOM 698 CG1 ILE A 47 5.871 9.262 -5.078 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.873 9.314 -6.594 1.00 0.00 C ATOM 700 CD1 ILE A 47 6.963 9.471 -6.103 1.00 0.00 C ATOM 0 H ILE A 47 5.481 6.987 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 47 3.460 8.880 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 47 5.048 7.594 -6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.526 10.233 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.287 8.738 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.520 9.635 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.050 8.721 -6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.474 10.190 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.779 10.037 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.335 8.504 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.563 10.023 -6.954 1.00 0.00 H new ATOM 712 N GLU A 48 2.756 6.090 -5.524 1.00 0.00 N ATOM 713 CA GLU A 48 1.666 5.309 -6.098 1.00 0.00 C ATOM 714 C GLU A 48 0.364 5.556 -5.342 1.00 0.00 C ATOM 715 O GLU A 48 -0.666 5.865 -5.943 1.00 0.00 O ATOM 716 CB GLU A 48 2.009 3.818 -6.071 1.00 0.00 C ATOM 717 CG GLU A 48 2.732 3.338 -7.319 1.00 0.00 C ATOM 718 CD GLU A 48 2.889 1.830 -7.358 1.00 0.00 C ATOM 719 OE1 GLU A 48 3.900 1.326 -6.824 1.00 0.00 O ATOM 720 OE2 GLU A 48 2.004 1.154 -7.922 1.00 0.00 O ATOM 0 H GLU A 48 3.665 5.628 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 48 1.531 5.625 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.630 3.612 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.090 3.244 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.182 3.665 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.716 3.803 -7.366 1.00 0.00 H new ATOM 727 N TYR A 49 0.417 5.415 -4.023 1.00 0.00 N ATOM 728 CA TYR A 49 -0.758 5.620 -3.185 1.00 0.00 C ATOM 729 C TYR A 49 -1.359 7.003 -3.418 1.00 0.00 C ATOM 730 O TYR A 49 -2.566 7.142 -3.619 1.00 0.00 O ATOM 731 CB TYR A 49 -0.394 5.452 -1.708 1.00 0.00 C ATOM 732 CG TYR A 49 -1.573 5.095 -0.831 1.00 0.00 C ATOM 733 CD1 TYR A 49 -2.659 5.954 -0.710 1.00 0.00 C ATOM 734 CD2 TYR A 49 -1.599 3.901 -0.122 1.00 0.00 C ATOM 735 CE1 TYR A 49 -3.737 5.632 0.092 1.00 0.00 C ATOM 736 CE2 TYR A 49 -2.674 3.571 0.681 1.00 0.00 C ATOM 737 CZ TYR A 49 -3.741 4.440 0.784 1.00 0.00 C ATOM 738 OH TYR A 49 -4.813 4.115 1.583 1.00 0.00 O ATOM 0 H TYR A 49 1.261 5.160 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.501 4.870 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.365 4.675 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.051 6.378 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.660 6.888 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.765 3.219 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.573 6.311 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.679 2.638 1.225 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.658 3.241 1.999 1.00 0.00 H new ATOM 748 N TYR A 50 -0.510 8.023 -3.388 1.00 0.00 N ATOM 749 CA TYR A 50 -0.954 9.395 -3.594 1.00 0.00 C ATOM 750 C TYR A 50 -1.930 9.483 -4.764 1.00 0.00 C ATOM 751 O TYR A 50 -2.959 10.153 -4.681 1.00 0.00 O ATOM 752 CB TYR A 50 0.244 10.311 -3.845 1.00 0.00 C ATOM 753 CG TYR A 50 -0.136 11.753 -4.096 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.071 12.395 -3.292 1.00 0.00 C ATOM 755 CD2 TYR A 50 0.438 12.474 -5.135 1.00 0.00 C ATOM 756 CE1 TYR A 50 -1.422 13.711 -3.517 1.00 0.00 C ATOM 757 CE2 TYR A 50 0.094 13.791 -5.366 1.00 0.00 C ATOM 758 CZ TYR A 50 -0.837 14.405 -4.555 1.00 0.00 C ATOM 759 OH TYR A 50 -1.184 15.718 -4.783 1.00 0.00 O ATOM 0 H TYR A 50 0.492 7.925 -3.223 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.468 9.721 -2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.912 10.265 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.803 9.937 -4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.531 11.855 -2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.166 11.996 -5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.151 14.194 -2.883 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.552 14.337 -6.177 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.421 16.195 -5.172 1.00 0.00 H new ATOM 769 N TYR A 51 -1.598 8.799 -5.854 1.00 0.00 N ATOM 770 CA TYR A 51 -2.442 8.798 -7.042 1.00 0.00 C ATOM 771 C TYR A 51 -3.826 8.240 -6.728 1.00 0.00 C ATOM 772 O TYR A 51 -4.837 8.922 -6.896 1.00 0.00 O ATOM 773 CB TYR A 51 -1.790 7.979 -8.157 1.00 0.00 C ATOM 774 CG TYR A 51 -0.464 8.537 -8.623 1.00 0.00 C ATOM 775 CD1 TYR A 51 -0.306 9.896 -8.862 1.00 0.00 C ATOM 776 CD2 TYR A 51 0.629 7.704 -8.823 1.00 0.00 C ATOM 777 CE1 TYR A 51 0.904 10.410 -9.289 1.00 0.00 C ATOM 778 CE2 TYR A 51 1.844 8.209 -9.249 1.00 0.00 C ATOM 779 CZ TYR A 51 1.975 9.563 -9.481 1.00 0.00 C ATOM 780 OH TYR A 51 3.182 10.071 -9.904 1.00 0.00 O ATOM 0 H TYR A 51 -0.750 8.238 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.554 9.829 -7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.642 6.958 -7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.472 7.929 -9.006 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.143 10.562 -8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.529 6.644 -8.643 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.010 11.469 -9.471 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.685 7.548 -9.399 1.00 0.00 H new ATOM 0 HH TYR A 51 3.832 9.342 -9.989 1.00 0.00 H new ATOM 790 N MET A 52 -3.864 6.993 -6.269 1.00 0.00 N ATOM 791 CA MET A 52 -5.124 6.343 -5.928 1.00 0.00 C ATOM 792 C MET A 52 -5.929 7.194 -4.952 1.00 0.00 C ATOM 793 O MET A 52 -7.065 7.572 -5.235 1.00 0.00 O ATOM 794 CB MET A 52 -4.861 4.962 -5.324 1.00 0.00 C ATOM 795 CG MET A 52 -6.112 4.105 -5.199 1.00 0.00 C ATOM 796 SD MET A 52 -7.115 4.545 -3.767 1.00 0.00 S ATOM 797 CE MET A 52 -6.050 4.013 -2.431 1.00 0.00 C ATOM 0 H MET A 52 -3.037 6.413 -6.125 1.00 0.00 H new ATOM 0 HA MET A 52 -5.704 6.227 -6.843 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.131 4.438 -5.941 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.415 5.085 -4.337 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.711 4.210 -6.103 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.824 3.056 -5.127 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.651 3.814 -1.544 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.524 3.104 -2.725 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.325 4.796 -2.210 1.00 0.00 H new ATOM 807 N TRP A 53 -5.334 7.490 -3.802 1.00 0.00 N ATOM 808 CA TRP A 53 -5.997 8.296 -2.783 1.00 0.00 C ATOM 809 C TRP A 53 -6.539 9.590 -3.382 1.00 0.00 C ATOM 810 O TRP A 53 -7.483 10.181 -2.856 1.00 0.00 O ATOM 811 CB TRP A 53 -5.027 8.613 -1.644 1.00 0.00 C ATOM 812 CG TRP A 53 -5.709 9.112 -0.406 1.00 0.00 C ATOM 813 CD1 TRP A 53 -6.278 8.355 0.578 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.894 10.478 -0.021 1.00 0.00 C ATOM 815 NE1 TRP A 53 -6.806 9.169 1.551 1.00 0.00 N ATOM 816 CE2 TRP A 53 -6.583 10.476 1.208 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.544 11.704 -0.594 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -6.928 11.651 1.871 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.888 12.870 0.065 1.00 0.00 C ATOM 820 CH2 TRP A 53 -6.573 12.837 1.286 1.00 0.00 C ATOM 0 H TRP A 53 -4.394 7.184 -3.552 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.835 7.722 -2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.458 7.716 -1.400 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.311 9.362 -1.983 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.308 7.275 0.590 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.286 8.851 2.393 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.014 11.740 -1.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.456 11.628 2.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.624 13.823 -0.370 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.826 13.766 1.776 1.00 0.00 H new ATOM 831 N LYS A 54 -5.938 10.025 -4.483 1.00 0.00 N ATOM 832 CA LYS A 54 -6.360 11.249 -5.154 1.00 0.00 C ATOM 833 C LYS A 54 -7.444 10.956 -6.187 1.00 0.00 C ATOM 834 O LYS A 54 -8.316 11.787 -6.439 1.00 0.00 O ATOM 835 CB LYS A 54 -5.165 11.923 -5.831 1.00 0.00 C ATOM 836 CG LYS A 54 -5.552 13.077 -6.739 1.00 0.00 C ATOM 837 CD LYS A 54 -4.362 13.581 -7.538 1.00 0.00 C ATOM 838 CE LYS A 54 -3.545 14.591 -6.745 1.00 0.00 C ATOM 839 NZ LYS A 54 -2.234 14.873 -7.391 1.00 0.00 N ATOM 0 H LYS A 54 -5.156 9.548 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.771 11.923 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.482 12.288 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.621 11.180 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.340 12.756 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.961 13.891 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.729 12.740 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.711 14.040 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.109 15.519 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.379 14.212 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.483 14.865 -6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.036 14.145 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.266 15.807 -7.848 1.00 0.00 H new ATOM 853 N THR A 55 -7.384 9.767 -6.780 1.00 0.00 N ATOM 854 CA THR A 55 -8.361 9.365 -7.784 1.00 0.00 C ATOM 855 C THR A 55 -9.590 8.739 -7.136 1.00 0.00 C ATOM 856 O THR A 55 -10.461 8.201 -7.821 1.00 0.00 O ATOM 857 CB THR A 55 -7.757 8.363 -8.785 1.00 0.00 C ATOM 858 OG1 THR A 55 -7.354 7.170 -8.102 1.00 0.00 O ATOM 859 CG2 THR A 55 -6.560 8.970 -9.504 1.00 0.00 C ATOM 0 H THR A 55 -6.669 9.067 -6.582 1.00 0.00 H new ATOM 0 HA THR A 55 -8.656 10.269 -8.318 1.00 0.00 H new ATOM 0 HB THR A 55 -8.520 8.118 -9.524 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.408 7.313 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.150 8.244 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.875 9.861 -10.047 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.796 9.241 -8.775 1.00 0.00 H new ATOM 867 N THR A 56 -9.658 8.814 -5.810 1.00 0.00 N ATOM 868 CA THR A 56 -10.781 8.254 -5.069 1.00 0.00 C ATOM 869 C THR A 56 -12.109 8.766 -5.614 1.00 0.00 C ATOM 870 O THR A 56 -12.199 9.896 -6.094 1.00 0.00 O ATOM 871 CB THR A 56 -10.689 8.594 -3.570 1.00 0.00 C ATOM 872 OG1 THR A 56 -10.392 9.983 -3.399 1.00 0.00 O ATOM 873 CG2 THR A 56 -9.619 7.754 -2.889 1.00 0.00 C ATOM 0 H THR A 56 -8.948 9.257 -5.227 1.00 0.00 H new ATOM 0 HA THR A 56 -10.734 7.172 -5.193 1.00 0.00 H new ATOM 0 HB THR A 56 -11.652 8.370 -3.110 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.433 10.094 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.573 8.012 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.864 6.697 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.652 7.950 -3.353 1.00 0.00 H new ATOM 881 N ASP A 57 -13.137 7.928 -5.538 1.00 0.00 N ATOM 882 CA ASP A 57 -14.462 8.298 -6.022 1.00 0.00 C ATOM 883 C ASP A 57 -15.260 9.009 -4.934 1.00 0.00 C ATOM 884 O ASP A 57 -16.440 8.721 -4.727 1.00 0.00 O ATOM 885 CB ASP A 57 -15.219 7.057 -6.499 1.00 0.00 C ATOM 886 CG ASP A 57 -16.592 7.392 -7.047 1.00 0.00 C ATOM 887 OD1 ASP A 57 -16.667 7.951 -8.161 1.00 0.00 O ATOM 888 OD2 ASP A 57 -17.592 7.092 -6.362 1.00 0.00 O ATOM 0 H ASP A 57 -13.078 6.988 -5.146 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.337 8.983 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.636 6.553 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.323 6.357 -5.670 1.00 0.00 H new ATOM 893 N ARG A 58 -14.609 9.936 -4.239 1.00 0.00 N ATOM 894 CA ARG A 58 -15.257 10.686 -3.170 1.00 0.00 C ATOM 895 C ARG A 58 -15.527 12.124 -3.602 1.00 0.00 C ATOM 896 O ARG A 58 -14.897 12.634 -4.528 1.00 0.00 O ATOM 897 CB ARG A 58 -14.388 10.674 -1.911 1.00 0.00 C ATOM 898 CG ARG A 58 -15.185 10.765 -0.620 1.00 0.00 C ATOM 899 CD ARG A 58 -15.564 9.387 -0.101 1.00 0.00 C ATOM 900 NE ARG A 58 -16.839 8.928 -0.645 1.00 0.00 N ATOM 901 CZ ARG A 58 -17.177 7.648 -0.744 1.00 0.00 C ATOM 902 NH1 ARG A 58 -16.339 6.704 -0.337 1.00 0.00 N ATOM 903 NH2 ARG A 58 -18.356 7.308 -1.251 1.00 0.00 N ATOM 0 H ARG A 58 -13.633 10.186 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.211 10.206 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.795 9.760 -1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.688 11.508 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.599 11.291 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.088 11.352 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.782 8.674 -0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.623 9.413 0.987 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.506 9.629 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.432 6.961 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.601 5.721 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.004 8.031 -1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.614 6.324 -1.326 1.00 0.00 H new ATOM 917 N TYR A 59 -16.469 12.773 -2.924 1.00 0.00 N ATOM 918 CA TYR A 59 -16.825 14.151 -3.239 1.00 0.00 C ATOM 919 C TYR A 59 -16.717 14.413 -4.738 1.00 0.00 C ATOM 920 O TYR A 59 -16.193 15.442 -5.165 1.00 0.00 O ATOM 921 CB TYR A 59 -15.921 15.120 -2.476 1.00 0.00 C ATOM 922 CG TYR A 59 -14.456 14.746 -2.520 1.00 0.00 C ATOM 923 CD1 TYR A 59 -13.910 13.885 -1.577 1.00 0.00 C ATOM 924 CD2 TYR A 59 -13.619 15.254 -3.506 1.00 0.00 C ATOM 925 CE1 TYR A 59 -12.573 13.540 -1.613 1.00 0.00 C ATOM 926 CE2 TYR A 59 -12.281 14.914 -3.551 1.00 0.00 C ATOM 927 CZ TYR A 59 -11.762 14.057 -2.602 1.00 0.00 C ATOM 928 OH TYR A 59 -10.430 13.716 -2.643 1.00 0.00 O ATOM 0 H TYR A 59 -16.999 12.366 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 59 -17.859 14.311 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.044 16.121 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.245 15.163 -1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.542 13.478 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.021 15.926 -4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.165 12.869 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.644 15.317 -4.325 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.001 14.165 -3.401 1.00 0.00 H new ATOM 938 N VAL A 60 -17.219 13.473 -5.534 1.00 0.00 N ATOM 939 CA VAL A 60 -17.182 13.600 -6.986 1.00 0.00 C ATOM 940 C VAL A 60 -18.570 13.889 -7.547 1.00 0.00 C ATOM 941 O VAL A 60 -19.577 13.437 -7.003 1.00 0.00 O ATOM 942 CB VAL A 60 -16.628 12.325 -7.647 1.00 0.00 C ATOM 943 CG1 VAL A 60 -17.540 11.140 -7.371 1.00 0.00 C ATOM 944 CG2 VAL A 60 -16.452 12.535 -9.143 1.00 0.00 C ATOM 0 H VAL A 60 -17.656 12.615 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.520 14.435 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.651 12.108 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.132 10.248 -7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -17.611 10.978 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.533 11.343 -7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -16.060 11.624 -9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.415 12.777 -9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.755 13.355 -9.316 1.00 0.00 H new ATOM 954 N GLN A 61 -18.615 14.646 -8.639 1.00 0.00 N ATOM 955 CA GLN A 61 -19.880 14.996 -9.274 1.00 0.00 C ATOM 956 C GLN A 61 -20.730 13.753 -9.513 1.00 0.00 C ATOM 957 O GLN A 61 -21.932 13.752 -9.248 1.00 0.00 O ATOM 958 CB GLN A 61 -19.627 15.718 -10.599 1.00 0.00 C ATOM 959 CG GLN A 61 -18.839 14.892 -11.601 1.00 0.00 C ATOM 960 CD GLN A 61 -18.281 15.727 -12.737 1.00 0.00 C ATOM 961 OE1 GLN A 61 -17.697 16.788 -12.513 1.00 0.00 O ATOM 962 NE2 GLN A 61 -18.459 15.254 -13.965 1.00 0.00 N ATOM 0 H GLN A 61 -17.790 15.028 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.423 15.662 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -20.584 15.994 -11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.088 16.645 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -18.019 14.390 -11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -19.483 14.113 -12.010 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -18.949 14.370 -14.105 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -18.106 15.774 -14.768 1.00 0.00 H new ATOM 971 N GLN A 62 -20.098 12.697 -10.017 1.00 0.00 N ATOM 972 CA GLN A 62 -20.799 11.449 -10.292 1.00 0.00 C ATOM 973 C GLN A 62 -20.795 10.540 -9.067 1.00 0.00 C ATOM 974 O GLN A 62 -20.581 9.333 -9.177 1.00 0.00 O ATOM 975 CB GLN A 62 -20.153 10.729 -11.478 1.00 0.00 C ATOM 976 CG GLN A 62 -18.705 10.332 -11.234 1.00 0.00 C ATOM 977 CD GLN A 62 -17.956 10.040 -12.519 1.00 0.00 C ATOM 978 OE1 GLN A 62 -18.319 9.133 -13.270 1.00 0.00 O ATOM 979 NE2 GLN A 62 -16.906 10.808 -12.779 1.00 0.00 N ATOM 0 H GLN A 62 -19.103 12.681 -10.243 1.00 0.00 H new ATOM 0 HA GLN A 62 -21.833 11.689 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.732 9.835 -11.709 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -20.201 11.375 -12.355 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.198 11.133 -10.696 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.677 9.451 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.642 11.548 -12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.363 10.659 -13.630 1.00 0.00 H new ATOM 988 N LYS A 63 -21.033 11.129 -7.901 1.00 0.00 N ATOM 989 CA LYS A 63 -21.058 10.374 -6.653 1.00 0.00 C ATOM 990 C LYS A 63 -21.805 9.055 -6.830 1.00 0.00 C ATOM 991 O LYS A 63 -21.285 7.989 -6.504 1.00 0.00 O ATOM 992 CB LYS A 63 -21.716 11.200 -5.546 1.00 0.00 C ATOM 993 CG LYS A 63 -21.309 10.775 -4.145 1.00 0.00 C ATOM 994 CD LYS A 63 -22.238 9.707 -3.594 1.00 0.00 C ATOM 995 CE LYS A 63 -23.569 10.299 -3.154 1.00 0.00 C ATOM 996 NZ LYS A 63 -24.544 9.244 -2.765 1.00 0.00 N ATOM 0 H LYS A 63 -21.212 12.127 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.029 10.154 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -21.460 12.250 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -22.799 11.121 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.287 10.396 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.317 11.642 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.411 8.946 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.762 9.210 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -23.407 10.972 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -23.986 10.898 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -25.437 9.688 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -24.719 8.617 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -24.158 8.689 -1.975 1.00 0.00 H new ATOM 1010 N ARG A 64 -23.025 9.137 -7.351 1.00 0.00 N ATOM 1011 CA ARG A 64 -23.842 7.950 -7.572 1.00 0.00 C ATOM 1012 C ARG A 64 -24.139 7.764 -9.057 1.00 0.00 C ATOM 1013 O ARG A 64 -25.154 8.243 -9.562 1.00 0.00 O ATOM 1014 CB ARG A 64 -25.151 8.053 -6.787 1.00 0.00 C ATOM 1015 CG ARG A 64 -26.019 6.808 -6.883 1.00 0.00 C ATOM 1016 CD ARG A 64 -27.056 6.765 -5.773 1.00 0.00 C ATOM 1017 NE ARG A 64 -27.512 5.404 -5.502 1.00 0.00 N ATOM 1018 CZ ARG A 64 -28.685 5.119 -4.950 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -29.517 6.094 -4.612 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -29.028 3.855 -4.734 1.00 0.00 N ATOM 0 H ARG A 64 -23.469 10.013 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 64 -23.283 7.083 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -24.922 8.246 -5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -25.717 8.910 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -26.520 6.786 -7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -25.390 5.920 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -26.632 7.193 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -27.909 7.385 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 64 -26.895 4.630 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -29.257 7.066 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -30.418 5.872 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -28.390 3.102 -4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -29.930 3.637 -4.310 1.00 0.00 H new ATOM 1034 N SER A 65 -23.247 7.064 -9.750 1.00 0.00 N ATOM 1035 CA SER A 65 -23.411 6.818 -11.178 1.00 0.00 C ATOM 1036 C SER A 65 -24.202 5.536 -11.421 1.00 0.00 C ATOM 1037 O SER A 65 -24.576 4.836 -10.480 1.00 0.00 O ATOM 1038 CB SER A 65 -22.046 6.725 -11.862 1.00 0.00 C ATOM 1039 OG SER A 65 -22.159 6.940 -13.258 1.00 0.00 O ATOM 0 H SER A 65 -22.403 6.657 -9.346 1.00 0.00 H new ATOM 0 HA SER A 65 -23.966 7.654 -11.604 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.369 7.462 -11.431 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.609 5.744 -11.676 1.00 0.00 H new ATOM 0 HG SER A 65 -21.273 6.877 -13.671 1.00 0.00 H new ATOM 1045 N GLY A 66 -24.455 5.235 -12.691 1.00 0.00 N ATOM 1046 CA GLY A 66 -25.199 4.038 -13.036 1.00 0.00 C ATOM 1047 C GLY A 66 -24.604 2.787 -12.422 1.00 0.00 C ATOM 1048 O GLY A 66 -23.598 2.835 -11.715 1.00 0.00 O ATOM 0 H GLY A 66 -24.158 5.799 -13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -26.231 4.147 -12.702 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.224 3.930 -14.120 1.00 0.00 H new ATOM 1052 N PRO A 67 -25.233 1.634 -12.693 1.00 0.00 N ATOM 1053 CA PRO A 67 -24.776 0.342 -12.171 1.00 0.00 C ATOM 1054 C PRO A 67 -23.467 -0.110 -12.807 1.00 0.00 C ATOM 1055 O PRO A 67 -23.443 -0.549 -13.957 1.00 0.00 O ATOM 1056 CB PRO A 67 -25.911 -0.614 -12.547 1.00 0.00 C ATOM 1057 CG PRO A 67 -26.560 0.016 -13.731 1.00 0.00 C ATOM 1058 CD PRO A 67 -26.438 1.502 -13.529 1.00 0.00 C ATOM 0 HA PRO A 67 -24.572 0.384 -11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -25.530 -1.607 -12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -26.617 -0.733 -11.725 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -26.071 -0.294 -14.655 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -27.605 -0.283 -13.808 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -26.329 2.029 -14.477 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -27.318 1.914 -13.034 1.00 0.00 H new ATOM 1066 N SER A 68 -22.378 -0.001 -12.051 1.00 0.00 N ATOM 1067 CA SER A 68 -21.063 -0.395 -12.543 1.00 0.00 C ATOM 1068 C SER A 68 -20.689 -1.786 -12.038 1.00 0.00 C ATOM 1069 O SER A 68 -20.411 -1.974 -10.854 1.00 0.00 O ATOM 1070 CB SER A 68 -20.006 0.620 -12.104 1.00 0.00 C ATOM 1071 OG SER A 68 -18.715 0.234 -12.544 1.00 0.00 O ATOM 0 H SER A 68 -22.381 0.357 -11.096 1.00 0.00 H new ATOM 0 HA SER A 68 -21.102 -0.420 -13.632 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.252 1.603 -12.506 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.012 0.709 -11.018 1.00 0.00 H new ATOM 0 HG SER A 68 -18.057 0.899 -12.252 1.00 0.00 H new ATOM 1077 N SER A 69 -20.687 -2.756 -12.945 1.00 0.00 N ATOM 1078 CA SER A 69 -20.351 -4.131 -12.593 1.00 0.00 C ATOM 1079 C SER A 69 -19.073 -4.183 -11.762 1.00 0.00 C ATOM 1080 O SER A 69 -17.967 -4.152 -12.300 1.00 0.00 O ATOM 1081 CB SER A 69 -20.185 -4.977 -13.857 1.00 0.00 C ATOM 1082 OG SER A 69 -20.477 -6.340 -13.600 1.00 0.00 O ATOM 0 H SER A 69 -20.914 -2.616 -13.929 1.00 0.00 H new ATOM 0 HA SER A 69 -21.168 -4.537 -11.997 1.00 0.00 H new ATOM 0 HB2 SER A 69 -20.845 -4.602 -14.639 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.165 -4.884 -14.229 1.00 0.00 H new ATOM 0 HG SER A 69 -20.365 -6.859 -14.424 1.00 0.00 H new ATOM 1088 N GLY A 70 -19.234 -4.260 -10.444 1.00 0.00 N ATOM 1089 CA GLY A 70 -18.086 -4.314 -9.558 1.00 0.00 C ATOM 1090 C GLY A 70 -17.083 -3.214 -9.841 1.00 0.00 C ATOM 1091 O GLY A 70 -15.919 -3.312 -9.455 1.00 0.00 O ATOM 0 H GLY A 70 -20.139 -4.286 -9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.424 -4.236 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.597 -5.283 -9.661 1.00 0.00 H new TER 1095 GLY A 70