USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.013 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0.0326 K(o=0.033,f=-0.76) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0593 (180deg=-0.531) USER MOD Single : A 40 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.8) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0431 K(o=-0.043,f=-2.1!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 82 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.138 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.319 45.430 38.796 1.00 0.00 N ATOM 2 CA GLY A 1 6.727 45.120 38.632 1.00 0.00 C ATOM 3 C GLY A 1 7.108 43.801 39.275 1.00 0.00 C ATOM 4 O GLY A 1 7.344 43.736 40.481 1.00 0.00 O ATOM 0 H1 GLY A 1 5.109 46.340 38.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.745 44.682 38.357 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.093 45.490 39.809 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.967 45.086 37.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.325 45.920 39.068 1.00 0.00 H new ATOM 8 N SER A 2 7.167 42.746 38.468 1.00 0.00 N ATOM 9 CA SER A 2 7.517 41.421 38.966 1.00 0.00 C ATOM 10 C SER A 2 8.199 40.595 37.880 1.00 0.00 C ATOM 11 O SER A 2 7.666 40.433 36.782 1.00 0.00 O ATOM 12 CB SER A 2 6.267 40.695 39.466 1.00 0.00 C ATOM 13 OG SER A 2 5.638 41.420 40.509 1.00 0.00 O ATOM 0 H SER A 2 6.977 42.783 37.467 1.00 0.00 H new ATOM 0 HA SER A 2 8.214 41.544 39.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.568 40.558 38.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.538 39.701 39.822 1.00 0.00 H new ATOM 0 HG SER A 2 4.841 40.935 40.810 1.00 0.00 H new ATOM 19 N SER A 3 9.381 40.075 38.196 1.00 0.00 N ATOM 20 CA SER A 3 10.139 39.268 37.246 1.00 0.00 C ATOM 21 C SER A 3 10.404 37.874 37.808 1.00 0.00 C ATOM 22 O SER A 3 10.432 37.677 39.022 1.00 0.00 O ATOM 23 CB SER A 3 11.463 39.954 36.906 1.00 0.00 C ATOM 24 OG SER A 3 12.191 39.208 35.945 1.00 0.00 O ATOM 0 H SER A 3 9.834 40.198 39.101 1.00 0.00 H new ATOM 0 HA SER A 3 9.546 39.167 36.337 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.269 40.956 36.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.060 40.068 37.811 1.00 0.00 H new ATOM 0 HG SER A 3 13.033 39.668 35.743 1.00 0.00 H new ATOM 30 N GLY A 4 10.597 36.910 36.913 1.00 0.00 N ATOM 31 CA GLY A 4 10.857 35.547 37.337 1.00 0.00 C ATOM 32 C GLY A 4 11.274 34.651 36.187 1.00 0.00 C ATOM 33 O GLY A 4 11.534 35.129 35.083 1.00 0.00 O ATOM 0 H GLY A 4 10.578 37.049 35.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.641 35.549 38.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.962 35.139 37.805 1.00 0.00 H new ATOM 37 N SER A 5 11.341 33.349 36.447 1.00 0.00 N ATOM 38 CA SER A 5 11.735 32.386 35.426 1.00 0.00 C ATOM 39 C SER A 5 10.544 31.537 34.992 1.00 0.00 C ATOM 40 O SER A 5 10.165 30.584 35.673 1.00 0.00 O ATOM 41 CB SER A 5 12.854 31.484 35.950 1.00 0.00 C ATOM 42 OG SER A 5 13.947 32.251 36.425 1.00 0.00 O ATOM 0 H SER A 5 11.128 32.937 37.356 1.00 0.00 H new ATOM 0 HA SER A 5 12.099 32.940 34.561 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.472 30.854 36.753 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.191 30.818 35.155 1.00 0.00 H new ATOM 0 HG SER A 5 14.648 31.651 36.756 1.00 0.00 H new ATOM 48 N SER A 6 9.958 31.890 33.852 1.00 0.00 N ATOM 49 CA SER A 6 8.807 31.164 33.327 1.00 0.00 C ATOM 50 C SER A 6 9.248 29.885 32.622 1.00 0.00 C ATOM 51 O SER A 6 8.934 28.780 33.062 1.00 0.00 O ATOM 52 CB SER A 6 8.018 32.048 32.360 1.00 0.00 C ATOM 53 OG SER A 6 6.667 31.629 32.273 1.00 0.00 O ATOM 0 H SER A 6 10.261 32.674 33.274 1.00 0.00 H new ATOM 0 HA SER A 6 8.165 30.893 34.165 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.060 33.085 32.694 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.477 32.012 31.372 1.00 0.00 H new ATOM 0 HG SER A 6 6.183 32.211 31.650 1.00 0.00 H new ATOM 59 N GLY A 7 9.978 30.044 31.522 1.00 0.00 N ATOM 60 CA GLY A 7 10.450 28.895 30.772 1.00 0.00 C ATOM 61 C GLY A 7 10.470 29.147 29.277 1.00 0.00 C ATOM 62 O GLY A 7 9.490 29.628 28.708 1.00 0.00 O ATOM 0 H GLY A 7 10.251 30.948 31.137 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.454 28.634 31.107 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.810 28.038 30.984 1.00 0.00 H new ATOM 66 N HIS A 8 11.591 28.824 28.639 1.00 0.00 N ATOM 67 CA HIS A 8 11.735 29.019 27.201 1.00 0.00 C ATOM 68 C HIS A 8 11.301 27.771 26.437 1.00 0.00 C ATOM 69 O HIS A 8 10.967 26.749 27.037 1.00 0.00 O ATOM 70 CB HIS A 8 13.183 29.365 26.855 1.00 0.00 C ATOM 71 CG HIS A 8 14.172 28.342 27.322 1.00 0.00 C ATOM 72 ND1 HIS A 8 14.749 28.371 28.574 1.00 0.00 N ATOM 73 CD2 HIS A 8 14.684 27.255 26.698 1.00 0.00 C ATOM 74 CE1 HIS A 8 15.575 27.347 28.699 1.00 0.00 C ATOM 75 NE2 HIS A 8 15.553 26.654 27.575 1.00 0.00 N ATOM 0 H HIS A 8 12.412 28.426 29.095 1.00 0.00 H new ATOM 0 HA HIS A 8 11.091 29.847 26.905 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.273 29.478 25.775 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.433 30.329 27.298 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.452 26.923 25.697 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.167 27.116 29.572 1.00 0.00 H new ATOM 0 HE2 HIS A 8 16.094 25.809 27.389 1.00 0.00 H new ATOM 83 N SER A 9 11.308 27.863 25.111 1.00 0.00 N ATOM 84 CA SER A 9 10.911 26.743 24.266 1.00 0.00 C ATOM 85 C SER A 9 11.297 26.997 22.812 1.00 0.00 C ATOM 86 O SER A 9 11.994 27.963 22.502 1.00 0.00 O ATOM 87 CB SER A 9 9.404 26.506 24.371 1.00 0.00 C ATOM 88 OG SER A 9 9.124 25.191 24.820 1.00 0.00 O ATOM 0 H SER A 9 11.584 28.701 24.599 1.00 0.00 H new ATOM 0 HA SER A 9 11.436 25.853 24.614 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.966 27.229 25.059 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.939 26.668 23.399 1.00 0.00 H new ATOM 0 HG SER A 9 8.154 25.066 24.880 1.00 0.00 H new ATOM 94 N SER A 10 10.839 26.121 21.923 1.00 0.00 N ATOM 95 CA SER A 10 11.139 26.246 20.501 1.00 0.00 C ATOM 96 C SER A 10 10.043 25.603 19.656 1.00 0.00 C ATOM 97 O SER A 10 9.100 25.017 20.185 1.00 0.00 O ATOM 98 CB SER A 10 12.489 25.600 20.184 1.00 0.00 C ATOM 99 OG SER A 10 12.516 24.246 20.600 1.00 0.00 O ATOM 0 H SER A 10 10.259 25.317 22.162 1.00 0.00 H new ATOM 0 HA SER A 10 11.186 27.307 20.257 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.681 25.659 19.113 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.286 26.153 20.681 1.00 0.00 H new ATOM 0 HG SER A 10 13.388 23.855 20.385 1.00 0.00 H new ATOM 105 N ALA A 11 10.177 25.719 18.339 1.00 0.00 N ATOM 106 CA ALA A 11 9.200 25.148 17.420 1.00 0.00 C ATOM 107 C ALA A 11 9.888 24.395 16.286 1.00 0.00 C ATOM 108 O ALA A 11 10.891 24.857 15.741 1.00 0.00 O ATOM 109 CB ALA A 11 8.300 26.240 16.861 1.00 0.00 C ATOM 0 H ALA A 11 10.952 26.203 17.885 1.00 0.00 H new ATOM 0 HA ALA A 11 8.588 24.437 17.975 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.575 25.799 16.176 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.774 26.732 17.679 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.905 26.972 16.327 1.00 0.00 H new ATOM 115 N GLN A 12 9.344 23.234 15.936 1.00 0.00 N ATOM 116 CA GLN A 12 9.908 22.418 14.868 1.00 0.00 C ATOM 117 C GLN A 12 8.843 21.514 14.254 1.00 0.00 C ATOM 118 O GLN A 12 7.751 21.362 14.802 1.00 0.00 O ATOM 119 CB GLN A 12 11.066 21.572 15.400 1.00 0.00 C ATOM 120 CG GLN A 12 12.421 22.248 15.272 1.00 0.00 C ATOM 121 CD GLN A 12 13.560 21.254 15.149 1.00 0.00 C ATOM 122 OE1 GLN A 12 13.339 20.043 15.097 1.00 0.00 O ATOM 123 NE2 GLN A 12 14.786 21.761 15.102 1.00 0.00 N ATOM 0 H GLN A 12 8.514 22.838 16.376 1.00 0.00 H new ATOM 0 HA GLN A 12 10.283 23.087 14.093 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.883 21.339 16.449 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.090 20.624 14.862 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.417 22.900 14.398 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.590 22.883 16.142 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.922 22.771 15.148 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.592 21.141 15.020 1.00 0.00 H new ATOM 132 N PHE A 13 9.168 20.917 13.112 1.00 0.00 N ATOM 133 CA PHE A 13 8.239 20.029 12.423 1.00 0.00 C ATOM 134 C PHE A 13 8.951 18.770 11.934 1.00 0.00 C ATOM 135 O PHE A 13 9.895 18.844 11.147 1.00 0.00 O ATOM 136 CB PHE A 13 7.591 20.753 11.241 1.00 0.00 C ATOM 137 CG PHE A 13 6.222 20.237 10.901 1.00 0.00 C ATOM 138 CD1 PHE A 13 6.060 18.985 10.330 1.00 0.00 C ATOM 139 CD2 PHE A 13 5.096 21.006 11.151 1.00 0.00 C ATOM 140 CE1 PHE A 13 4.801 18.508 10.016 1.00 0.00 C ATOM 141 CE2 PHE A 13 3.835 20.534 10.839 1.00 0.00 C ATOM 142 CZ PHE A 13 3.687 19.284 10.270 1.00 0.00 C ATOM 0 H PHE A 13 10.067 21.032 12.644 1.00 0.00 H new ATOM 0 HA PHE A 13 7.464 19.735 13.130 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.524 21.817 11.469 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.235 20.655 10.367 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.928 18.374 10.128 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.205 21.985 11.594 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.689 17.530 9.573 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.966 21.142 11.040 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.702 18.914 10.024 1.00 0.00 H new ATOM 152 N ILE A 14 8.492 17.617 12.408 1.00 0.00 N ATOM 153 CA ILE A 14 9.084 16.343 12.020 1.00 0.00 C ATOM 154 C ILE A 14 8.511 15.851 10.695 1.00 0.00 C ATOM 155 O ILE A 14 7.316 15.573 10.589 1.00 0.00 O ATOM 156 CB ILE A 14 8.856 15.265 13.096 1.00 0.00 C ATOM 157 CG1 ILE A 14 9.342 15.763 14.458 1.00 0.00 C ATOM 158 CG2 ILE A 14 9.567 13.975 12.713 1.00 0.00 C ATOM 159 CD1 ILE A 14 9.087 14.786 15.585 1.00 0.00 C ATOM 0 H ILE A 14 7.712 17.539 13.061 1.00 0.00 H new ATOM 0 HA ILE A 14 10.155 16.514 11.909 1.00 0.00 H new ATOM 0 HB ILE A 14 7.787 15.061 13.164 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.411 15.968 14.401 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.848 16.707 14.688 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.396 13.223 13.483 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.178 13.614 11.761 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.637 14.163 12.620 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.457 15.205 16.521 1.00 0.00 H new ATOM 0 HD12 ILE A 14 8.016 14.599 15.670 1.00 0.00 H new ATOM 0 HD13 ILE A 14 9.603 13.849 15.378 1.00 0.00 H new ATOM 171 N ASP A 15 9.370 15.745 9.688 1.00 0.00 N ATOM 172 CA ASP A 15 8.950 15.284 8.369 1.00 0.00 C ATOM 173 C ASP A 15 10.053 14.467 7.703 1.00 0.00 C ATOM 174 O ASP A 15 10.237 14.529 6.487 1.00 0.00 O ATOM 175 CB ASP A 15 8.575 16.474 7.485 1.00 0.00 C ATOM 176 CG ASP A 15 7.446 16.150 6.527 1.00 0.00 C ATOM 177 OD1 ASP A 15 6.555 15.361 6.905 1.00 0.00 O ATOM 178 OD2 ASP A 15 7.452 16.687 5.400 1.00 0.00 O ATOM 0 H ASP A 15 10.362 15.972 9.759 1.00 0.00 H new ATOM 0 HA ASP A 15 8.075 14.646 8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.283 17.314 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.450 16.791 6.917 1.00 0.00 H new ATOM 183 N SER A 16 10.784 13.702 8.507 1.00 0.00 N ATOM 184 CA SER A 16 11.872 12.876 7.996 1.00 0.00 C ATOM 185 C SER A 16 11.363 11.495 7.595 1.00 0.00 C ATOM 186 O SER A 16 10.225 11.131 7.891 1.00 0.00 O ATOM 187 CB SER A 16 12.975 12.741 9.048 1.00 0.00 C ATOM 188 OG SER A 16 13.351 14.008 9.558 1.00 0.00 O ATOM 0 H SER A 16 10.643 13.637 9.515 1.00 0.00 H new ATOM 0 HA SER A 16 12.282 13.364 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.629 12.106 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.843 12.250 8.608 1.00 0.00 H new ATOM 0 HG SER A 16 14.056 13.894 10.229 1.00 0.00 H new ATOM 194 N TYR A 17 12.215 10.731 6.920 1.00 0.00 N ATOM 195 CA TYR A 17 11.852 9.391 6.476 1.00 0.00 C ATOM 196 C TYR A 17 12.742 8.340 7.132 1.00 0.00 C ATOM 197 O TYR A 17 13.939 8.263 6.854 1.00 0.00 O ATOM 198 CB TYR A 17 11.960 9.289 4.954 1.00 0.00 C ATOM 199 CG TYR A 17 11.335 10.456 4.223 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.101 10.963 4.610 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.979 11.051 3.145 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.526 12.029 3.945 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.412 12.118 2.475 1.00 0.00 C ATOM 204 CZ TYR A 17 10.186 12.603 2.878 1.00 0.00 C ATOM 205 OH TYR A 17 9.617 13.665 2.213 1.00 0.00 O ATOM 0 H TYR A 17 13.161 11.017 6.669 1.00 0.00 H new ATOM 0 HA TYR A 17 10.820 9.204 6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.012 9.219 4.677 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.481 8.367 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.582 10.516 5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.939 10.673 2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.566 12.411 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.927 12.570 1.640 1.00 0.00 H new ATOM 0 HH TYR A 17 10.210 13.953 1.488 1.00 0.00 H new ATOM 215 N ILE A 18 12.149 7.531 8.003 1.00 0.00 N ATOM 216 CA ILE A 18 12.886 6.483 8.698 1.00 0.00 C ATOM 217 C ILE A 18 12.400 5.099 8.281 1.00 0.00 C ATOM 218 O ILE A 18 11.197 4.839 8.238 1.00 0.00 O ATOM 219 CB ILE A 18 12.757 6.622 10.226 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.041 8.063 10.655 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.703 5.658 10.927 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.432 8.537 10.297 1.00 0.00 C ATOM 0 H ILE A 18 11.159 7.581 8.244 1.00 0.00 H new ATOM 0 HA ILE A 18 13.933 6.596 8.419 1.00 0.00 H new ATOM 0 HB ILE A 18 11.736 6.372 10.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.310 8.723 10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.904 8.146 11.733 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.600 5.768 12.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.457 4.635 10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.730 5.879 10.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.563 9.566 10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.170 7.900 10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.567 8.486 9.217 1.00 0.00 H new ATOM 234 N CYS A 19 13.342 4.214 7.975 1.00 0.00 N ATOM 235 CA CYS A 19 13.010 2.855 7.563 1.00 0.00 C ATOM 236 C CYS A 19 12.148 2.163 8.614 1.00 0.00 C ATOM 237 O CYS A 19 12.203 2.501 9.796 1.00 0.00 O ATOM 238 CB CYS A 19 14.287 2.047 7.322 1.00 0.00 C ATOM 239 SG CYS A 19 14.014 0.466 6.460 1.00 0.00 S ATOM 0 H CYS A 19 14.342 4.413 8.004 1.00 0.00 H new ATOM 0 HA CYS A 19 12.443 2.912 6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.982 2.651 6.739 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.765 1.848 8.281 1.00 0.00 H new ATOM 244 N GLN A 20 11.354 1.193 8.174 1.00 0.00 N ATOM 245 CA GLN A 20 10.480 0.453 9.077 1.00 0.00 C ATOM 246 C GLN A 20 11.004 -0.961 9.305 1.00 0.00 C ATOM 247 O GLN A 20 10.249 -1.862 9.672 1.00 0.00 O ATOM 248 CB GLN A 20 9.058 0.398 8.514 1.00 0.00 C ATOM 249 CG GLN A 20 8.201 1.589 8.910 1.00 0.00 C ATOM 250 CD GLN A 20 7.699 1.498 10.338 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.818 0.457 10.985 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.133 2.590 10.837 1.00 0.00 N ATOM 0 H GLN A 20 11.298 0.901 7.198 1.00 0.00 H new ATOM 0 HA GLN A 20 10.464 0.974 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.108 0.343 7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.575 -0.517 8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.780 2.504 8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.349 1.660 8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.055 3.431 10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.776 2.588 11.792 1.00 0.00 H new ATOM 261 N VAL A 21 12.301 -1.148 9.087 1.00 0.00 N ATOM 262 CA VAL A 21 12.927 -2.453 9.269 1.00 0.00 C ATOM 263 C VAL A 21 14.214 -2.336 10.077 1.00 0.00 C ATOM 264 O VAL A 21 14.478 -3.147 10.966 1.00 0.00 O ATOM 265 CB VAL A 21 13.241 -3.118 7.916 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.919 -4.464 8.128 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.972 -3.275 7.092 1.00 0.00 C ATOM 0 H VAL A 21 12.940 -0.413 8.784 1.00 0.00 H new ATOM 0 HA VAL A 21 12.215 -3.073 9.813 1.00 0.00 H new ATOM 0 HB VAL A 21 13.927 -2.475 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.134 -4.920 7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.850 -4.320 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.259 -5.118 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.213 -3.747 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.260 -3.897 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.532 -2.294 6.910 1.00 0.00 H new ATOM 277 N CYS A 22 15.014 -1.322 9.764 1.00 0.00 N ATOM 278 CA CYS A 22 16.275 -1.098 10.460 1.00 0.00 C ATOM 279 C CYS A 22 16.241 0.214 11.238 1.00 0.00 C ATOM 280 O CYS A 22 17.063 0.443 12.125 1.00 0.00 O ATOM 281 CB CYS A 22 17.436 -1.083 9.464 1.00 0.00 C ATOM 282 SG CYS A 22 17.354 0.269 8.247 1.00 0.00 S ATOM 0 H CYS A 22 14.811 -0.642 9.032 1.00 0.00 H new ATOM 0 HA CYS A 22 16.422 -1.915 11.166 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.373 -1.005 10.016 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.457 -2.035 8.933 1.00 0.00 H new ATOM 287 N SER A 23 15.284 1.072 10.900 1.00 0.00 N ATOM 288 CA SER A 23 15.144 2.363 11.563 1.00 0.00 C ATOM 289 C SER A 23 16.367 3.239 11.310 1.00 0.00 C ATOM 290 O SER A 23 17.093 3.594 12.239 1.00 0.00 O ATOM 291 CB SER A 23 14.945 2.168 13.068 1.00 0.00 C ATOM 292 OG SER A 23 14.094 1.065 13.331 1.00 0.00 O ATOM 0 H SER A 23 14.593 0.896 10.170 1.00 0.00 H new ATOM 0 HA SER A 23 14.268 2.863 11.149 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.911 2.009 13.548 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.518 3.072 13.502 1.00 0.00 H new ATOM 0 HG SER A 23 13.984 0.960 14.299 1.00 0.00 H new ATOM 298 N ARG A 24 16.589 3.583 10.046 1.00 0.00 N ATOM 299 CA ARG A 24 17.724 4.417 9.669 1.00 0.00 C ATOM 300 C ARG A 24 17.263 5.644 8.889 1.00 0.00 C ATOM 301 O ARG A 24 16.083 5.780 8.567 1.00 0.00 O ATOM 302 CB ARG A 24 18.719 3.611 8.832 1.00 0.00 C ATOM 303 CG ARG A 24 19.681 2.778 9.663 1.00 0.00 C ATOM 304 CD ARG A 24 20.679 3.653 10.405 1.00 0.00 C ATOM 305 NE ARG A 24 21.661 2.861 11.141 1.00 0.00 N ATOM 306 CZ ARG A 24 21.381 2.195 12.255 1.00 0.00 C ATOM 307 NH1 ARG A 24 20.155 2.224 12.759 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.329 1.496 12.867 1.00 0.00 N ATOM 0 H ARG A 24 15.998 3.297 9.265 1.00 0.00 H new ATOM 0 HA ARG A 24 18.215 4.753 10.582 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.167 2.952 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.292 4.295 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.119 2.178 10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.216 2.084 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.194 4.299 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.146 4.304 11.098 1.00 0.00 H new ATOM 0 HE ARG A 24 22.614 2.817 10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.424 2.759 12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.943 1.711 13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.273 1.470 12.482 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.113 0.985 13.723 1.00 0.00 H new ATOM 322 N GLY A 25 18.202 6.535 8.588 1.00 0.00 N ATOM 323 CA GLY A 25 17.872 7.740 7.848 1.00 0.00 C ATOM 324 C GLY A 25 18.875 8.040 6.752 1.00 0.00 C ATOM 325 O GLY A 25 18.503 8.494 5.669 1.00 0.00 O ATOM 0 H GLY A 25 19.185 6.445 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.880 7.633 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.827 8.584 8.536 1.00 0.00 H new ATOM 329 N ASP A 26 20.148 7.787 7.031 1.00 0.00 N ATOM 330 CA ASP A 26 21.208 8.033 6.060 1.00 0.00 C ATOM 331 C ASP A 26 20.979 7.223 4.789 1.00 0.00 C ATOM 332 O ASP A 26 21.489 7.566 3.723 1.00 0.00 O ATOM 333 CB ASP A 26 22.571 7.687 6.662 1.00 0.00 C ATOM 334 CG ASP A 26 23.615 8.750 6.380 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.728 9.699 7.184 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.319 8.632 5.356 1.00 0.00 O ATOM 0 H ASP A 26 20.472 7.411 7.922 1.00 0.00 H new ATOM 0 HA ASP A 26 21.192 9.092 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.467 7.560 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.911 6.732 6.260 1.00 0.00 H new ATOM 341 N GLU A 27 20.209 6.146 4.910 1.00 0.00 N ATOM 342 CA GLU A 27 19.915 5.286 3.770 1.00 0.00 C ATOM 343 C GLU A 27 18.725 5.820 2.978 1.00 0.00 C ATOM 344 O GLU A 27 18.323 5.236 1.971 1.00 0.00 O ATOM 345 CB GLU A 27 19.630 3.858 4.240 1.00 0.00 C ATOM 346 CG GLU A 27 20.883 3.032 4.473 1.00 0.00 C ATOM 347 CD GLU A 27 21.692 2.828 3.207 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.108 2.927 2.107 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.909 2.568 3.315 1.00 0.00 O ATOM 0 H GLU A 27 19.778 5.849 5.785 1.00 0.00 H new ATOM 0 HA GLU A 27 20.789 5.279 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.054 3.897 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.008 3.358 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.504 3.525 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.603 2.061 4.881 1.00 0.00 H new ATOM 356 N ASP A 28 18.165 6.932 3.441 1.00 0.00 N ATOM 357 CA ASP A 28 17.021 7.546 2.777 1.00 0.00 C ATOM 358 C ASP A 28 17.287 7.718 1.285 1.00 0.00 C ATOM 359 O ASP A 28 16.359 7.721 0.476 1.00 0.00 O ATOM 360 CB ASP A 28 16.704 8.902 3.411 1.00 0.00 C ATOM 361 CG ASP A 28 17.810 9.916 3.190 1.00 0.00 C ATOM 362 OD1 ASP A 28 18.993 9.547 3.344 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.491 11.078 2.864 1.00 0.00 O ATOM 0 H ASP A 28 18.485 7.427 4.274 1.00 0.00 H new ATOM 0 HA ASP A 28 16.162 6.886 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.773 9.287 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.543 8.771 4.481 1.00 0.00 H new ATOM 368 N ASP A 29 18.558 7.860 0.928 1.00 0.00 N ATOM 369 CA ASP A 29 18.946 8.032 -0.467 1.00 0.00 C ATOM 370 C ASP A 29 18.327 6.946 -1.341 1.00 0.00 C ATOM 371 O ASP A 29 18.066 7.159 -2.525 1.00 0.00 O ATOM 372 CB ASP A 29 20.469 8.007 -0.602 1.00 0.00 C ATOM 373 CG ASP A 29 21.007 9.230 -1.318 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.982 10.326 -0.721 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.453 9.091 -2.477 1.00 0.00 O ATOM 0 H ASP A 29 19.338 7.859 1.585 1.00 0.00 H new ATOM 0 HA ASP A 29 18.575 9.000 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.918 7.943 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.768 7.111 -1.145 1.00 0.00 H new ATOM 380 N LYS A 30 18.095 5.779 -0.750 1.00 0.00 N ATOM 381 CA LYS A 30 17.507 4.657 -1.473 1.00 0.00 C ATOM 382 C LYS A 30 16.246 4.160 -0.773 1.00 0.00 C ATOM 383 O LYS A 30 15.936 2.969 -0.802 1.00 0.00 O ATOM 384 CB LYS A 30 18.519 3.515 -1.595 1.00 0.00 C ATOM 385 CG LYS A 30 19.555 3.735 -2.683 1.00 0.00 C ATOM 386 CD LYS A 30 20.551 2.589 -2.745 1.00 0.00 C ATOM 387 CE LYS A 30 20.763 2.110 -4.173 1.00 0.00 C ATOM 388 NZ LYS A 30 21.088 3.236 -5.092 1.00 0.00 N ATOM 0 H LYS A 30 18.305 5.585 0.229 1.00 0.00 H new ATOM 0 HA LYS A 30 17.236 5.002 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.029 3.389 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.984 2.587 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.056 3.837 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.085 4.669 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.503 2.910 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.194 1.762 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.571 1.378 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.864 1.603 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.652 2.881 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.207 3.657 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.632 3.958 -4.578 1.00 0.00 H new ATOM 402 N LEU A 31 15.521 5.080 -0.146 1.00 0.00 N ATOM 403 CA LEU A 31 14.292 4.736 0.559 1.00 0.00 C ATOM 404 C LEU A 31 13.098 4.742 -0.391 1.00 0.00 C ATOM 405 O LEU A 31 13.023 5.564 -1.305 1.00 0.00 O ATOM 406 CB LEU A 31 14.048 5.716 1.709 1.00 0.00 C ATOM 407 CG LEU A 31 14.253 5.161 3.119 1.00 0.00 C ATOM 408 CD1 LEU A 31 13.997 6.240 4.159 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.346 3.962 3.357 1.00 0.00 C ATOM 0 H LEU A 31 15.763 6.070 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 31 14.405 3.730 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.710 6.572 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.027 6.089 1.632 1.00 0.00 H new ATOM 0 HG LEU A 31 15.288 4.833 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.148 5.827 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.687 7.069 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.972 6.599 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.505 3.580 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.305 4.265 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.577 3.181 2.632 1.00 0.00 H new ATOM 421 N LEU A 32 12.166 3.822 -0.167 1.00 0.00 N ATOM 422 CA LEU A 32 10.974 3.723 -1.002 1.00 0.00 C ATOM 423 C LEU A 32 9.754 4.284 -0.278 1.00 0.00 C ATOM 424 O LEU A 32 9.672 4.237 0.949 1.00 0.00 O ATOM 425 CB LEU A 32 10.722 2.266 -1.394 1.00 0.00 C ATOM 426 CG LEU A 32 11.535 1.740 -2.578 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.972 1.469 -2.161 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.896 0.481 -3.146 1.00 0.00 C ATOM 0 H LEU A 32 12.213 3.135 0.585 1.00 0.00 H new ATOM 0 HA LEU A 32 11.142 4.312 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.929 1.637 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.663 2.151 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 32 11.542 2.503 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.535 1.095 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.427 2.392 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.986 0.725 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.488 0.121 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.857 -0.288 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.885 0.707 -3.484 1.00 0.00 H new ATOM 440 N PHE A 33 8.808 4.813 -1.047 1.00 0.00 N ATOM 441 CA PHE A 33 7.592 5.382 -0.479 1.00 0.00 C ATOM 442 C PHE A 33 6.365 4.582 -0.908 1.00 0.00 C ATOM 443 O PHE A 33 6.176 4.299 -2.091 1.00 0.00 O ATOM 444 CB PHE A 33 7.437 6.842 -0.910 1.00 0.00 C ATOM 445 CG PHE A 33 8.692 7.652 -0.747 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.291 7.782 0.496 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.272 8.283 -1.835 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.446 8.525 0.650 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.427 9.027 -1.688 1.00 0.00 C ATOM 450 CZ PHE A 33 11.014 9.150 -0.443 1.00 0.00 C ATOM 0 H PHE A 33 8.860 4.859 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 33 7.673 5.337 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.127 6.873 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.639 7.302 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.850 7.297 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.816 8.192 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.904 8.617 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.871 9.512 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.915 9.734 -0.325 1.00 0.00 H new ATOM 460 N CYS A 34 5.535 4.218 0.064 1.00 0.00 N ATOM 461 CA CYS A 34 4.327 3.448 -0.210 1.00 0.00 C ATOM 462 C CYS A 34 3.174 4.368 -0.600 1.00 0.00 C ATOM 463 O CYS A 34 3.003 5.444 -0.027 1.00 0.00 O ATOM 464 CB CYS A 34 3.939 2.616 1.014 1.00 0.00 C ATOM 465 SG CYS A 34 2.309 1.814 0.881 1.00 0.00 S ATOM 0 H CYS A 34 5.677 4.444 1.049 1.00 0.00 H new ATOM 0 HA CYS A 34 4.533 2.778 -1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.697 1.850 1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.945 3.259 1.894 1.00 0.00 H new ATOM 470 N ASP A 35 2.385 3.936 -1.578 1.00 0.00 N ATOM 471 CA ASP A 35 1.246 4.719 -2.044 1.00 0.00 C ATOM 472 C ASP A 35 -0.021 4.343 -1.281 1.00 0.00 C ATOM 473 O ASP A 35 -1.079 4.145 -1.876 1.00 0.00 O ATOM 474 CB ASP A 35 1.035 4.507 -3.544 1.00 0.00 C ATOM 475 CG ASP A 35 -0.020 5.434 -4.116 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.168 6.559 -3.594 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.696 5.035 -5.087 1.00 0.00 O ATOM 0 H ASP A 35 2.513 3.048 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 35 1.460 5.772 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.978 4.667 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.742 3.473 -3.724 1.00 0.00 H new ATOM 482 N GLY A 36 0.097 4.244 0.039 1.00 0.00 N ATOM 483 CA GLY A 36 -1.046 3.891 0.861 1.00 0.00 C ATOM 484 C GLY A 36 -0.884 4.337 2.301 1.00 0.00 C ATOM 485 O GLY A 36 -1.821 4.858 2.906 1.00 0.00 O ATOM 0 H GLY A 36 0.963 4.402 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.945 4.344 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.191 2.811 0.832 1.00 0.00 H new ATOM 489 N CYS A 37 0.307 4.131 2.853 1.00 0.00 N ATOM 490 CA CYS A 37 0.588 4.513 4.231 1.00 0.00 C ATOM 491 C CYS A 37 1.696 5.561 4.290 1.00 0.00 C ATOM 492 O CYS A 37 1.907 6.199 5.321 1.00 0.00 O ATOM 493 CB CYS A 37 0.989 3.285 5.051 1.00 0.00 C ATOM 494 SG CYS A 37 2.503 2.460 4.463 1.00 0.00 S ATOM 0 H CYS A 37 1.094 3.701 2.366 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.319 4.944 4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.132 3.585 6.089 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.168 2.568 5.036 1.00 0.00 H new ATOM 499 N ASP A 38 2.400 5.732 3.176 1.00 0.00 N ATOM 500 CA ASP A 38 3.485 6.704 3.099 1.00 0.00 C ATOM 501 C ASP A 38 4.612 6.336 4.059 1.00 0.00 C ATOM 502 O ASP A 38 5.094 7.176 4.818 1.00 0.00 O ATOM 503 CB ASP A 38 2.966 8.107 3.417 1.00 0.00 C ATOM 504 CG ASP A 38 3.855 9.195 2.849 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.032 9.274 3.258 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.373 9.968 1.995 1.00 0.00 O ATOM 0 H ASP A 38 2.239 5.210 2.314 1.00 0.00 H new ATOM 0 HA ASP A 38 3.878 6.693 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.959 8.218 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.894 8.228 4.498 1.00 0.00 H new ATOM 511 N ASP A 39 5.027 5.074 4.020 1.00 0.00 N ATOM 512 CA ASP A 39 6.098 4.595 4.886 1.00 0.00 C ATOM 513 C ASP A 39 7.440 4.632 4.162 1.00 0.00 C ATOM 514 O ASP A 39 7.522 5.043 3.005 1.00 0.00 O ATOM 515 CB ASP A 39 5.800 3.172 5.361 1.00 0.00 C ATOM 516 CG ASP A 39 4.923 3.146 6.597 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.186 4.129 6.822 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.973 2.143 7.340 1.00 0.00 O ATOM 0 H ASP A 39 4.638 4.365 3.398 1.00 0.00 H new ATOM 0 HA ASP A 39 6.154 5.255 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.310 2.620 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.738 2.659 5.574 1.00 0.00 H new ATOM 523 N ASN A 40 8.491 4.199 4.851 1.00 0.00 N ATOM 524 CA ASN A 40 9.831 4.185 4.274 1.00 0.00 C ATOM 525 C ASN A 40 10.448 2.793 4.368 1.00 0.00 C ATOM 526 O ASN A 40 10.582 2.234 5.457 1.00 0.00 O ATOM 527 CB ASN A 40 10.726 5.201 4.985 1.00 0.00 C ATOM 528 CG ASN A 40 9.959 6.426 5.444 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.903 6.726 6.637 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.362 7.140 4.497 1.00 0.00 N ATOM 0 H ASN A 40 8.441 3.853 5.809 1.00 0.00 H new ATOM 0 HA ASN A 40 9.750 4.457 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.197 4.727 5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.527 5.508 4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.831 7.974 4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.435 6.854 3.521 1.00 0.00 H new ATOM 537 N TYR A 41 10.823 2.239 3.221 1.00 0.00 N ATOM 538 CA TYR A 41 11.425 0.912 3.173 1.00 0.00 C ATOM 539 C TYR A 41 12.609 0.885 2.211 1.00 0.00 C ATOM 540 O TYR A 41 12.538 1.421 1.105 1.00 0.00 O ATOM 541 CB TYR A 41 10.386 -0.127 2.749 1.00 0.00 C ATOM 542 CG TYR A 41 9.308 -0.362 3.783 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.480 -1.296 4.796 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.116 0.352 3.746 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.497 -1.514 5.742 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.128 0.141 4.688 1.00 0.00 C ATOM 547 CZ TYR A 41 7.323 -0.793 5.684 1.00 0.00 C ATOM 548 OH TYR A 41 6.342 -1.006 6.625 1.00 0.00 O ATOM 0 H TYR A 41 10.721 2.689 2.311 1.00 0.00 H new ATOM 0 HA TYR A 41 11.786 0.669 4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.920 0.196 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.891 -1.070 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.398 -1.862 4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.960 1.084 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.647 -2.245 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.208 0.704 4.645 1.00 0.00 H new ATOM 0 HH TYR A 41 5.580 -0.417 6.442 1.00 0.00 H new ATOM 558 N HIS A 42 13.699 0.257 2.642 1.00 0.00 N ATOM 559 CA HIS A 42 14.899 0.158 1.819 1.00 0.00 C ATOM 560 C HIS A 42 14.772 -0.975 0.806 1.00 0.00 C ATOM 561 O HIS A 42 13.822 -1.758 0.852 1.00 0.00 O ATOM 562 CB HIS A 42 16.129 -0.066 2.700 1.00 0.00 C ATOM 563 CG HIS A 42 16.433 1.085 3.609 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.071 0.938 4.822 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.183 2.409 3.474 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.199 2.121 5.396 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.669 3.031 4.598 1.00 0.00 N ATOM 0 H HIS A 42 13.776 -0.190 3.555 1.00 0.00 H new ATOM 0 HA HIS A 42 15.015 1.096 1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.977 -0.962 3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.993 -0.253 2.062 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.693 2.887 2.638 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.659 2.312 6.354 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.628 4.033 4.786 1.00 0.00 H new ATOM 575 N ILE A 43 15.733 -1.056 -0.108 1.00 0.00 N ATOM 576 CA ILE A 43 15.727 -2.093 -1.132 1.00 0.00 C ATOM 577 C ILE A 43 16.491 -3.329 -0.667 1.00 0.00 C ATOM 578 O ILE A 43 16.593 -4.318 -1.393 1.00 0.00 O ATOM 579 CB ILE A 43 16.345 -1.587 -2.449 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.749 -1.032 -2.199 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.455 -0.527 -3.079 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.639 -1.067 -3.421 1.00 0.00 C ATOM 0 H ILE A 43 16.525 -0.416 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 43 14.684 -2.358 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 43 16.424 -2.425 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.667 -0.003 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.220 -1.604 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.905 -0.179 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.474 -0.953 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.347 0.312 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.618 -0.659 -3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.752 -2.097 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.190 -0.471 -4.215 1.00 0.00 H new ATOM 594 N PHE A 44 17.023 -3.266 0.549 1.00 0.00 N ATOM 595 CA PHE A 44 17.777 -4.380 1.112 1.00 0.00 C ATOM 596 C PHE A 44 17.245 -4.754 2.492 1.00 0.00 C ATOM 597 O PHE A 44 17.905 -5.461 3.254 1.00 0.00 O ATOM 598 CB PHE A 44 19.262 -4.024 1.205 1.00 0.00 C ATOM 599 CG PHE A 44 19.517 -2.664 1.790 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.536 -2.479 3.163 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.736 -1.571 0.967 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.770 -1.229 3.705 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.972 -0.320 1.504 1.00 0.00 C ATOM 604 CZ PHE A 44 19.988 -0.148 2.874 1.00 0.00 C ATOM 0 H PHE A 44 16.946 -2.455 1.163 1.00 0.00 H new ATOM 0 HA PHE A 44 17.657 -5.238 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.770 -4.773 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.702 -4.070 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.366 -3.321 3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.722 -1.698 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.782 -1.098 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.144 0.524 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.171 0.830 3.295 1.00 0.00 H new ATOM 614 N CYS A 45 16.046 -4.275 2.807 1.00 0.00 N ATOM 615 CA CYS A 45 15.424 -4.556 4.095 1.00 0.00 C ATOM 616 C CYS A 45 14.191 -5.439 3.922 1.00 0.00 C ATOM 617 O CYS A 45 13.788 -6.150 4.843 1.00 0.00 O ATOM 618 CB CYS A 45 15.037 -3.252 4.794 1.00 0.00 C ATOM 619 SG CYS A 45 16.410 -2.447 5.680 1.00 0.00 S ATOM 0 H CYS A 45 15.486 -3.690 2.187 1.00 0.00 H new ATOM 0 HA CYS A 45 16.148 -5.089 4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.641 -2.558 4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.233 -3.456 5.501 1.00 0.00 H new ATOM 624 N LEU A 46 13.596 -5.388 2.735 1.00 0.00 N ATOM 625 CA LEU A 46 12.409 -6.183 2.439 1.00 0.00 C ATOM 626 C LEU A 46 12.760 -7.662 2.320 1.00 0.00 C ATOM 627 O LEU A 46 13.871 -8.076 2.653 1.00 0.00 O ATOM 628 CB LEU A 46 11.755 -5.696 1.145 1.00 0.00 C ATOM 629 CG LEU A 46 11.529 -4.188 1.033 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.500 -3.760 -0.426 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.240 -3.787 1.735 1.00 0.00 C ATOM 0 H LEU A 46 13.916 -4.805 1.962 1.00 0.00 H new ATOM 0 HA LEU A 46 11.705 -6.061 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.375 -6.013 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.793 -6.196 1.037 1.00 0.00 H new ATOM 0 HG LEU A 46 12.358 -3.678 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.338 -2.684 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.450 -4.011 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.691 -4.278 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.096 -2.710 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.399 -4.305 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.300 -4.058 2.789 1.00 0.00 H new ATOM 643 N LEU A 47 11.807 -8.454 1.842 1.00 0.00 N ATOM 644 CA LEU A 47 12.015 -9.888 1.676 1.00 0.00 C ATOM 645 C LEU A 47 10.875 -10.516 0.881 1.00 0.00 C ATOM 646 O LEU A 47 9.766 -10.705 1.382 1.00 0.00 O ATOM 647 CB LEU A 47 12.135 -10.568 3.041 1.00 0.00 C ATOM 648 CG LEU A 47 13.186 -11.673 3.151 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.744 -11.741 4.564 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.594 -13.014 2.744 1.00 0.00 C ATOM 0 H LEU A 47 10.882 -8.127 1.562 1.00 0.00 H new ATOM 0 HA LEU A 47 12.942 -10.033 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.360 -9.805 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.164 -10.990 3.301 1.00 0.00 H new ATOM 0 HG LEU A 47 14.005 -11.438 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.490 -12.533 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.206 -10.787 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.936 -11.951 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.356 -13.789 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.757 -13.256 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.245 -12.960 1.713 1.00 0.00 H new ATOM 662 N PRO A 48 11.151 -10.850 -0.388 1.00 0.00 N ATOM 663 CA PRO A 48 12.467 -10.630 -0.996 1.00 0.00 C ATOM 664 C PRO A 48 12.763 -9.150 -1.218 1.00 0.00 C ATOM 665 O PRO A 48 11.867 -8.344 -1.466 1.00 0.00 O ATOM 666 CB PRO A 48 12.365 -11.361 -2.337 1.00 0.00 C ATOM 667 CG PRO A 48 10.909 -11.375 -2.651 1.00 0.00 C ATOM 668 CD PRO A 48 10.201 -11.468 -1.328 1.00 0.00 C ATOM 0 HA PRO A 48 13.275 -10.989 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.932 -10.846 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.765 -12.373 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.617 -10.472 -3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.656 -12.221 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.249 -10.938 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.985 -12.502 -1.060 1.00 0.00 H new ATOM 676 N PRO A 49 14.050 -8.783 -1.127 1.00 0.00 N ATOM 677 CA PRO A 49 14.493 -7.399 -1.315 1.00 0.00 C ATOM 678 C PRO A 49 14.363 -6.940 -2.764 1.00 0.00 C ATOM 679 O PRO A 49 13.923 -7.699 -3.629 1.00 0.00 O ATOM 680 CB PRO A 49 15.965 -7.438 -0.897 1.00 0.00 C ATOM 681 CG PRO A 49 16.385 -8.850 -1.117 1.00 0.00 C ATOM 682 CD PRO A 49 15.171 -9.692 -0.833 1.00 0.00 C ATOM 0 HA PRO A 49 13.890 -6.697 -0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.564 -6.750 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.088 -7.147 0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.733 -8.999 -2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.210 -9.119 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.143 -10.582 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.151 -10.033 0.202 1.00 0.00 H new ATOM 690 N LEU A 50 14.749 -5.696 -3.022 1.00 0.00 N ATOM 691 CA LEU A 50 14.676 -5.136 -4.367 1.00 0.00 C ATOM 692 C LEU A 50 16.055 -4.700 -4.851 1.00 0.00 C ATOM 693 O LEU A 50 16.965 -4.445 -4.062 1.00 0.00 O ATOM 694 CB LEU A 50 13.714 -3.947 -4.395 1.00 0.00 C ATOM 695 CG LEU A 50 12.224 -4.288 -4.378 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.387 -3.022 -4.280 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.845 -5.085 -5.618 1.00 0.00 C ATOM 0 H LEU A 50 15.116 -5.056 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 50 14.304 -5.912 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.930 -3.310 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.921 -3.359 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 50 12.022 -4.901 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.329 -3.285 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.638 -2.490 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.593 -2.382 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.781 -5.319 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.063 -4.497 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.419 -6.011 -5.645 1.00 0.00 H new ATOM 709 N PRO A 51 16.215 -4.611 -6.180 1.00 0.00 N ATOM 710 CA PRO A 51 17.480 -4.203 -6.799 1.00 0.00 C ATOM 711 C PRO A 51 17.792 -2.729 -6.564 1.00 0.00 C ATOM 712 O PRO A 51 18.922 -2.370 -6.236 1.00 0.00 O ATOM 713 CB PRO A 51 17.247 -4.469 -8.289 1.00 0.00 C ATOM 714 CG PRO A 51 15.770 -4.387 -8.462 1.00 0.00 C ATOM 715 CD PRO A 51 15.173 -4.900 -7.180 1.00 0.00 C ATOM 0 HA PRO A 51 18.330 -4.743 -6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.760 -3.732 -8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.626 -5.449 -8.580 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.456 -3.361 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.443 -4.986 -9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.237 -4.395 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.955 -5.966 -7.237 1.00 0.00 H new ATOM 723 N GLU A 52 16.783 -1.881 -6.733 1.00 0.00 N ATOM 724 CA GLU A 52 16.951 -0.445 -6.538 1.00 0.00 C ATOM 725 C GLU A 52 15.601 0.266 -6.538 1.00 0.00 C ATOM 726 O GLU A 52 14.560 -0.356 -6.748 1.00 0.00 O ATOM 727 CB GLU A 52 17.848 0.138 -7.632 1.00 0.00 C ATOM 728 CG GLU A 52 17.372 -0.177 -9.041 1.00 0.00 C ATOM 729 CD GLU A 52 18.245 0.457 -10.106 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.420 0.050 -10.230 1.00 0.00 O ATOM 731 OE2 GLU A 52 17.755 1.360 -10.816 1.00 0.00 O ATOM 0 H GLU A 52 15.841 -2.163 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 52 17.424 -0.288 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.901 1.220 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.860 -0.247 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.359 -1.258 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.347 0.173 -9.161 1.00 0.00 H new ATOM 738 N ILE A 53 15.628 1.573 -6.301 1.00 0.00 N ATOM 739 CA ILE A 53 14.408 2.369 -6.274 1.00 0.00 C ATOM 740 C ILE A 53 13.574 2.141 -7.530 1.00 0.00 C ATOM 741 O ILE A 53 14.075 2.189 -8.654 1.00 0.00 O ATOM 742 CB ILE A 53 14.718 3.872 -6.143 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.146 4.204 -4.712 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.507 4.700 -6.546 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.029 4.070 -3.701 1.00 0.00 C ATOM 0 H ILE A 53 16.482 2.103 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 53 13.841 2.046 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 53 15.541 4.118 -6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.966 3.546 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.531 5.224 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.742 5.760 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.244 4.481 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.666 4.453 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.404 4.321 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.217 4.748 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.659 3.045 -3.701 1.00 0.00 H new ATOM 757 N PRO A 54 12.271 1.888 -7.338 1.00 0.00 N ATOM 758 CA PRO A 54 11.340 1.650 -8.445 1.00 0.00 C ATOM 759 C PRO A 54 11.075 2.910 -9.261 1.00 0.00 C ATOM 760 O PRO A 54 11.490 4.005 -8.882 1.00 0.00 O ATOM 761 CB PRO A 54 10.061 1.191 -7.739 1.00 0.00 C ATOM 762 CG PRO A 54 10.145 1.788 -6.377 1.00 0.00 C ATOM 763 CD PRO A 54 11.607 1.815 -6.026 1.00 0.00 C ATOM 0 HA PRO A 54 11.733 0.927 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.172 1.535 -8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.003 0.104 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.722 2.793 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.581 1.196 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.855 2.674 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.904 0.923 -5.474 1.00 0.00 H new ATOM 771 N ARG A 55 10.381 2.748 -10.383 1.00 0.00 N ATOM 772 CA ARG A 55 10.062 3.873 -11.253 1.00 0.00 C ATOM 773 C ARG A 55 8.663 4.408 -10.959 1.00 0.00 C ATOM 774 O ARG A 55 8.507 5.483 -10.382 1.00 0.00 O ATOM 775 CB ARG A 55 10.161 3.454 -12.721 1.00 0.00 C ATOM 776 CG ARG A 55 11.364 4.041 -13.442 1.00 0.00 C ATOM 777 CD ARG A 55 10.941 4.966 -14.571 1.00 0.00 C ATOM 778 NE ARG A 55 11.998 5.138 -15.564 1.00 0.00 N ATOM 779 CZ ARG A 55 13.078 5.887 -15.366 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.242 6.529 -14.217 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.996 5.994 -16.317 1.00 0.00 N ATOM 0 H ARG A 55 10.029 1.848 -10.711 1.00 0.00 H new ATOM 0 HA ARG A 55 10.784 4.666 -11.059 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.209 2.367 -12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.252 3.760 -13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.982 4.591 -12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.979 3.235 -13.842 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.051 4.563 -15.055 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.668 5.938 -14.160 1.00 0.00 H new ATOM 0 HE ARG A 55 11.902 4.657 -16.458 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.538 6.449 -13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.072 7.103 -14.068 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.874 5.501 -17.202 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.824 6.569 -16.164 1.00 0.00 H new ATOM 795 N GLY A 56 7.648 3.649 -11.362 1.00 0.00 N ATOM 796 CA GLY A 56 6.276 4.063 -11.134 1.00 0.00 C ATOM 797 C GLY A 56 5.910 4.071 -9.663 1.00 0.00 C ATOM 798 O GLY A 56 6.735 4.409 -8.813 1.00 0.00 O ATOM 0 H GLY A 56 7.752 2.755 -11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.127 5.060 -11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.604 3.392 -11.669 1.00 0.00 H new ATOM 802 N ILE A 57 4.670 3.701 -9.362 1.00 0.00 N ATOM 803 CA ILE A 57 4.197 3.667 -7.983 1.00 0.00 C ATOM 804 C ILE A 57 4.588 2.362 -7.299 1.00 0.00 C ATOM 805 O ILE A 57 4.373 1.277 -7.840 1.00 0.00 O ATOM 806 CB ILE A 57 2.668 3.835 -7.909 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.250 5.177 -8.513 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.193 3.726 -6.468 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.752 5.339 -8.645 1.00 0.00 C ATOM 0 H ILE A 57 3.975 3.421 -10.054 1.00 0.00 H new ATOM 0 HA ILE A 57 4.672 4.501 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 57 2.201 3.037 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.641 5.983 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.707 5.282 -9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.110 3.847 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.463 2.748 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.665 4.505 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.528 6.313 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.357 4.554 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.290 5.267 -7.660 1.00 0.00 H new ATOM 821 N TRP A 58 5.163 2.474 -6.107 1.00 0.00 N ATOM 822 CA TRP A 58 5.583 1.302 -5.348 1.00 0.00 C ATOM 823 C TRP A 58 4.824 1.207 -4.029 1.00 0.00 C ATOM 824 O TRP A 58 4.576 2.218 -3.371 1.00 0.00 O ATOM 825 CB TRP A 58 7.088 1.354 -5.082 1.00 0.00 C ATOM 826 CG TRP A 58 7.584 0.211 -4.248 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.111 -0.965 -4.701 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.596 0.135 -2.819 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.450 -1.768 -3.638 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.145 -1.115 -2.473 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.199 1.002 -1.797 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.305 -1.518 -1.149 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.358 0.601 -0.484 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.907 -0.649 -0.170 1.00 0.00 C ATOM 0 H TRP A 58 5.349 3.364 -5.645 1.00 0.00 H new ATOM 0 HA TRP A 58 5.356 0.416 -5.941 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.618 1.356 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.329 2.291 -4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.242 -1.225 -5.741 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.862 -2.699 -3.706 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.776 1.968 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.728 -2.481 -0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.054 1.263 0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.018 -0.933 0.866 1.00 0.00 H new ATOM 845 N ARG A 59 4.458 -0.012 -3.648 1.00 0.00 N ATOM 846 CA ARG A 59 3.726 -0.237 -2.407 1.00 0.00 C ATOM 847 C ARG A 59 4.515 -1.145 -1.468 1.00 0.00 C ATOM 848 O ARG A 59 5.416 -1.867 -1.896 1.00 0.00 O ATOM 849 CB ARG A 59 2.359 -0.856 -2.702 1.00 0.00 C ATOM 850 CG ARG A 59 1.202 0.117 -2.540 1.00 0.00 C ATOM 851 CD ARG A 59 -0.051 -0.585 -2.040 1.00 0.00 C ATOM 852 NE ARG A 59 -1.162 -0.458 -2.979 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.297 -1.213 -4.063 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.396 -2.144 -4.344 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.336 -1.037 -4.870 1.00 0.00 N ATOM 0 H ARG A 59 4.656 -0.859 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 59 3.583 0.727 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.357 -1.243 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.204 -1.706 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.483 0.904 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.994 0.599 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.166 -1.641 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.341 -0.166 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.873 0.249 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.404 -2.282 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.503 -2.722 -5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.031 -0.321 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.439 -1.617 -5.703 1.00 0.00 H new ATOM 869 N CYS A 60 4.171 -1.103 -0.185 1.00 0.00 N ATOM 870 CA CYS A 60 4.846 -1.920 0.816 1.00 0.00 C ATOM 871 C CYS A 60 4.067 -3.204 1.085 1.00 0.00 C ATOM 872 O CYS A 60 2.869 -3.300 0.820 1.00 0.00 O ATOM 873 CB CYS A 60 5.018 -1.132 2.116 1.00 0.00 C ATOM 874 SG CYS A 60 3.504 -1.021 3.124 1.00 0.00 S ATOM 0 H CYS A 60 3.428 -0.511 0.186 1.00 0.00 H new ATOM 0 HA CYS A 60 5.829 -2.187 0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.804 -1.599 2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.356 -0.124 1.875 1.00 0.00 H new ATOM 879 N PRO A 61 4.763 -4.215 1.625 1.00 0.00 N ATOM 880 CA PRO A 61 4.158 -5.512 1.944 1.00 0.00 C ATOM 881 C PRO A 61 3.186 -5.426 3.115 1.00 0.00 C ATOM 882 O PRO A 61 2.285 -6.254 3.251 1.00 0.00 O ATOM 883 CB PRO A 61 5.361 -6.385 2.310 1.00 0.00 C ATOM 884 CG PRO A 61 6.399 -5.423 2.775 1.00 0.00 C ATOM 885 CD PRO A 61 6.195 -4.171 1.968 1.00 0.00 C ATOM 0 HA PRO A 61 3.569 -5.902 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.107 -7.102 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.709 -6.959 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.294 -5.221 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.400 -5.826 2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.443 -3.278 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.822 -4.161 1.076 1.00 0.00 H new ATOM 893 N LYS A 62 3.373 -4.418 3.960 1.00 0.00 N ATOM 894 CA LYS A 62 2.512 -4.221 5.121 1.00 0.00 C ATOM 895 C LYS A 62 1.123 -3.757 4.694 1.00 0.00 C ATOM 896 O LYS A 62 0.159 -3.870 5.453 1.00 0.00 O ATOM 897 CB LYS A 62 3.132 -3.199 6.075 1.00 0.00 C ATOM 898 CG LYS A 62 3.654 -3.808 7.364 1.00 0.00 C ATOM 899 CD LYS A 62 2.592 -3.807 8.451 1.00 0.00 C ATOM 900 CE LYS A 62 3.170 -4.224 9.795 1.00 0.00 C ATOM 901 NZ LYS A 62 2.130 -4.251 10.861 1.00 0.00 N ATOM 0 H LYS A 62 4.114 -3.724 3.863 1.00 0.00 H new ATOM 0 HA LYS A 62 2.415 -5.176 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.950 -2.690 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.386 -2.442 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.984 -4.830 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.525 -3.249 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.156 -2.811 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.786 -4.486 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.624 -5.211 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.964 -3.533 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.563 -4.540 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.715 -3.303 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.385 -4.929 10.602 1.00 0.00 H new ATOM 915 N CYS A 63 1.026 -3.237 3.476 1.00 0.00 N ATOM 916 CA CYS A 63 -0.246 -2.756 2.948 1.00 0.00 C ATOM 917 C CYS A 63 -0.838 -3.758 1.961 1.00 0.00 C ATOM 918 O CYS A 63 -2.042 -4.014 1.968 1.00 0.00 O ATOM 919 CB CYS A 63 -0.058 -1.400 2.264 1.00 0.00 C ATOM 920 SG CYS A 63 0.022 0.008 3.417 1.00 0.00 S ATOM 0 H CYS A 63 1.813 -3.137 2.835 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.938 -2.642 3.782 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.859 -1.426 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.881 -1.239 1.567 1.00 0.00 H new ATOM 925 N ILE A 64 0.017 -4.322 1.114 1.00 0.00 N ATOM 926 CA ILE A 64 -0.421 -5.296 0.122 1.00 0.00 C ATOM 927 C ILE A 64 -0.900 -6.582 0.789 1.00 0.00 C ATOM 928 O ILE A 64 -1.945 -7.127 0.432 1.00 0.00 O ATOM 929 CB ILE A 64 0.706 -5.635 -0.870 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.189 -4.368 -1.580 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.229 -6.666 -1.882 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.573 -4.500 -2.177 1.00 0.00 C ATOM 0 H ILE A 64 1.017 -4.121 1.095 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.248 -4.841 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 64 1.543 -6.059 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.484 -4.113 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.185 -3.540 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.037 -6.895 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.071 -7.575 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.622 -6.267 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.850 -3.565 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.290 -4.724 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.577 -5.306 -2.911 1.00 0.00 H new ATOM 944 N LEU A 65 -0.130 -7.060 1.760 1.00 0.00 N ATOM 945 CA LEU A 65 -0.476 -8.281 2.479 1.00 0.00 C ATOM 946 C LEU A 65 -1.749 -8.089 3.297 1.00 0.00 C ATOM 947 O LEU A 65 -2.380 -9.058 3.719 1.00 0.00 O ATOM 948 CB LEU A 65 0.674 -8.699 3.397 1.00 0.00 C ATOM 949 CG LEU A 65 1.981 -9.082 2.702 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.118 -9.162 3.709 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.826 -10.404 1.964 1.00 0.00 C ATOM 0 H LEU A 65 0.738 -6.621 2.068 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.652 -9.068 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.879 -7.880 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.343 -9.546 3.998 1.00 0.00 H new ATOM 0 HG LEU A 65 2.222 -8.308 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.040 -9.436 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.245 -8.193 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.885 -9.915 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.766 -10.660 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.560 -11.188 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.041 -10.312 1.214 1.00 0.00 H new ATOM 963 N ALA A 66 -2.123 -6.832 3.515 1.00 0.00 N ATOM 964 CA ALA A 66 -3.323 -6.513 4.278 1.00 0.00 C ATOM 965 C ALA A 66 -4.524 -6.322 3.358 1.00 0.00 C ATOM 966 O ALA A 66 -5.640 -6.719 3.690 1.00 0.00 O ATOM 967 CB ALA A 66 -3.097 -5.266 5.120 1.00 0.00 C ATOM 0 H ALA A 66 -1.612 -6.018 3.174 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.536 -7.352 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.001 -5.039 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.272 -5.438 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.856 -4.426 4.469 1.00 0.00 H new ATOM 973 N GLU A 67 -4.286 -5.712 2.202 1.00 0.00 N ATOM 974 CA GLU A 67 -5.350 -5.468 1.235 1.00 0.00 C ATOM 975 C GLU A 67 -5.705 -6.746 0.482 1.00 0.00 C ATOM 976 O GLU A 67 -6.859 -6.959 0.108 1.00 0.00 O ATOM 977 CB GLU A 67 -4.930 -4.379 0.244 1.00 0.00 C ATOM 978 CG GLU A 67 -5.033 -2.972 0.807 1.00 0.00 C ATOM 979 CD GLU A 67 -6.455 -2.445 0.805 1.00 0.00 C ATOM 980 OE1 GLU A 67 -6.969 -2.128 -0.288 1.00 0.00 O ATOM 981 OE2 GLU A 67 -7.053 -2.350 1.897 1.00 0.00 O ATOM 0 H GLU A 67 -3.367 -5.378 1.912 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.231 -5.132 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.902 -4.562 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.553 -4.451 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.648 -2.964 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.401 -2.304 0.222 1.00 0.00 H new ATOM 988 N CYS A 68 -4.706 -7.593 0.262 1.00 0.00 N ATOM 989 CA CYS A 68 -4.911 -8.851 -0.447 1.00 0.00 C ATOM 990 C CYS A 68 -6.038 -9.657 0.191 1.00 0.00 C ATOM 991 O CYS A 68 -6.220 -9.635 1.408 1.00 0.00 O ATOM 992 CB CYS A 68 -3.621 -9.672 -0.456 1.00 0.00 C ATOM 993 SG CYS A 68 -3.647 -11.076 -1.596 1.00 0.00 S ATOM 0 H CYS A 68 -3.745 -7.431 0.565 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.192 -8.619 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.789 -9.019 -0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.430 -10.040 0.552 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.512 -11.707 -1.534 1.00 0.00 H new ATOM 999 N LYS A 69 -6.793 -10.369 -0.640 1.00 0.00 N ATOM 1000 CA LYS A 69 -7.902 -11.183 -0.159 1.00 0.00 C ATOM 1001 C LYS A 69 -8.940 -10.321 0.555 1.00 0.00 C ATOM 1002 O LYS A 69 -8.750 -9.117 0.721 1.00 0.00 O ATOM 1003 CB LYS A 69 -7.391 -12.271 0.787 1.00 0.00 C ATOM 1004 CG LYS A 69 -7.425 -13.666 0.185 1.00 0.00 C ATOM 1005 CD LYS A 69 -6.462 -14.603 0.894 1.00 0.00 C ATOM 1006 CE LYS A 69 -6.890 -16.055 0.749 1.00 0.00 C ATOM 1007 NZ LYS A 69 -5.889 -16.990 1.335 1.00 0.00 N ATOM 0 H LYS A 69 -6.656 -10.398 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.375 -11.653 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.368 -12.035 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.992 -12.262 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.437 -14.066 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.170 -13.613 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.460 -14.475 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.410 -14.342 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.853 -16.200 1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.031 -16.288 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.218 -17.970 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.976 -16.870 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.773 -16.784 2.348 1.00 0.00 H new ATOM 1021 N GLN A 70 -10.034 -10.947 0.974 1.00 0.00 N ATOM 1022 CA GLN A 70 -11.101 -10.237 1.670 1.00 0.00 C ATOM 1023 C GLN A 70 -11.651 -11.073 2.821 1.00 0.00 C ATOM 1024 O GLN A 70 -11.511 -12.296 2.855 1.00 0.00 O ATOM 1025 CB GLN A 70 -12.227 -9.883 0.697 1.00 0.00 C ATOM 1026 CG GLN A 70 -12.067 -8.516 0.053 1.00 0.00 C ATOM 1027 CD GLN A 70 -13.376 -7.757 -0.038 1.00 0.00 C ATOM 1028 OE1 GLN A 70 -13.910 -7.294 0.971 1.00 0.00 O ATOM 1029 NE2 GLN A 70 -13.902 -7.625 -1.250 1.00 0.00 N ATOM 0 H GLN A 70 -10.205 -11.944 0.844 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.683 -9.318 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.272 -10.641 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.178 -9.916 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.350 -7.929 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.651 -8.636 -0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.426 -8.024 -2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.782 -7.124 -1.372 1.00 0.00 H new ATOM 1038 N PRO A 71 -12.292 -10.400 3.788 1.00 0.00 N ATOM 1039 CA PRO A 71 -12.877 -11.061 4.959 1.00 0.00 C ATOM 1040 C PRO A 71 -14.097 -11.903 4.600 1.00 0.00 C ATOM 1041 O PRO A 71 -14.666 -11.784 3.515 1.00 0.00 O ATOM 1042 CB PRO A 71 -13.280 -9.893 5.862 1.00 0.00 C ATOM 1043 CG PRO A 71 -13.483 -8.748 4.931 1.00 0.00 C ATOM 1044 CD PRO A 71 -12.496 -8.942 3.813 1.00 0.00 C ATOM 0 HA PRO A 71 -12.179 -11.756 5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.190 -10.118 6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.504 -9.674 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.504 -8.731 4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.316 -7.798 5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.886 -8.574 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.564 -8.409 4.002 1.00 0.00 H new ATOM 1052 N PRO A 72 -14.510 -12.774 5.532 1.00 0.00 N ATOM 1053 CA PRO A 72 -15.668 -13.652 5.337 1.00 0.00 C ATOM 1054 C PRO A 72 -16.984 -12.883 5.332 1.00 0.00 C ATOM 1055 O PRO A 72 -17.739 -12.921 6.303 1.00 0.00 O ATOM 1056 CB PRO A 72 -15.604 -14.596 6.540 1.00 0.00 C ATOM 1057 CG PRO A 72 -14.870 -13.828 7.585 1.00 0.00 C ATOM 1058 CD PRO A 72 -13.880 -12.970 6.848 1.00 0.00 C ATOM 0 HA PRO A 72 -15.635 -14.163 4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.602 -14.873 6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.084 -15.521 6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.554 -13.217 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.364 -14.499 8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.712 -12.022 7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.911 -13.460 6.760 1.00 0.00 H new ATOM 1066 N GLU A 73 -17.253 -12.186 4.232 1.00 0.00 N ATOM 1067 CA GLU A 73 -18.479 -11.408 4.102 1.00 0.00 C ATOM 1068 C GLU A 73 -18.538 -10.706 2.748 1.00 0.00 C ATOM 1069 O GLU A 73 -18.142 -9.548 2.620 1.00 0.00 O ATOM 1070 CB GLU A 73 -18.576 -10.376 5.228 1.00 0.00 C ATOM 1071 CG GLU A 73 -19.620 -10.718 6.278 1.00 0.00 C ATOM 1072 CD GLU A 73 -19.187 -10.328 7.678 1.00 0.00 C ATOM 1073 OE1 GLU A 73 -19.267 -9.126 8.010 1.00 0.00 O ATOM 1074 OE2 GLU A 73 -18.768 -11.223 8.442 1.00 0.00 O ATOM 0 H GLU A 73 -16.639 -12.144 3.419 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.323 -12.094 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -17.603 -10.285 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.811 -9.402 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -20.554 -10.211 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -19.822 -11.789 6.249 1.00 0.00 H new ATOM 1081 N ALA A 74 -19.033 -11.418 1.741 1.00 0.00 N ATOM 1082 CA ALA A 74 -19.145 -10.864 0.397 1.00 0.00 C ATOM 1083 C ALA A 74 -19.781 -11.868 -0.559 1.00 0.00 C ATOM 1084 O ALA A 74 -19.122 -12.794 -1.030 1.00 0.00 O ATOM 1085 CB ALA A 74 -17.777 -10.439 -0.114 1.00 0.00 C ATOM 0 H ALA A 74 -19.363 -12.379 1.830 1.00 0.00 H new ATOM 0 HA ALA A 74 -19.791 -9.987 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -17.876 -10.027 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -17.360 -9.681 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -17.114 -11.303 -0.140 1.00 0.00 H new ATOM 1091 N PHE A 75 -21.065 -11.677 -0.841 1.00 0.00 N ATOM 1092 CA PHE A 75 -21.791 -12.567 -1.740 1.00 0.00 C ATOM 1093 C PHE A 75 -21.904 -11.958 -3.134 1.00 0.00 C ATOM 1094 O PHE A 75 -22.520 -10.909 -3.317 1.00 0.00 O ATOM 1095 CB PHE A 75 -23.186 -12.861 -1.185 1.00 0.00 C ATOM 1096 CG PHE A 75 -23.315 -14.232 -0.583 1.00 0.00 C ATOM 1097 CD1 PHE A 75 -23.040 -15.362 -1.336 1.00 0.00 C ATOM 1098 CD2 PHE A 75 -23.711 -14.389 0.735 1.00 0.00 C ATOM 1099 CE1 PHE A 75 -23.159 -16.624 -0.785 1.00 0.00 C ATOM 1100 CE2 PHE A 75 -23.832 -15.649 1.292 1.00 0.00 C ATOM 1101 CZ PHE A 75 -23.554 -16.767 0.531 1.00 0.00 C ATOM 0 H PHE A 75 -21.625 -10.914 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 75 -21.233 -13.501 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -23.432 -12.116 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -23.917 -12.754 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -22.729 -15.256 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -23.928 -13.517 1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -22.943 -17.497 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -24.143 -15.758 2.320 1.00 0.00 H new ATOM 0 HZ PHE A 75 -23.645 -17.752 0.964 1.00 0.00 H new ATOM 1111 N GLY A 76 -21.304 -12.624 -4.116 1.00 0.00 N ATOM 1112 CA GLY A 76 -21.348 -12.134 -5.481 1.00 0.00 C ATOM 1113 C GLY A 76 -21.312 -13.254 -6.501 1.00 0.00 C ATOM 1114 O GLY A 76 -22.270 -13.454 -7.248 1.00 0.00 O ATOM 0 H GLY A 76 -20.788 -13.495 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.255 -11.546 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.504 -11.465 -5.651 1.00 0.00 H new ATOM 1118 N PHE A 77 -20.204 -13.987 -6.535 1.00 0.00 N ATOM 1119 CA PHE A 77 -20.046 -15.092 -7.473 1.00 0.00 C ATOM 1120 C PHE A 77 -20.296 -14.630 -8.905 1.00 0.00 C ATOM 1121 O PHE A 77 -21.420 -14.699 -9.402 1.00 0.00 O ATOM 1122 CB PHE A 77 -21.004 -16.231 -7.118 1.00 0.00 C ATOM 1123 CG PHE A 77 -20.383 -17.288 -6.250 1.00 0.00 C ATOM 1124 CD1 PHE A 77 -19.622 -18.302 -6.808 1.00 0.00 C ATOM 1125 CD2 PHE A 77 -20.562 -17.268 -4.876 1.00 0.00 C ATOM 1126 CE1 PHE A 77 -19.049 -19.276 -6.012 1.00 0.00 C ATOM 1127 CE2 PHE A 77 -19.991 -18.239 -4.075 1.00 0.00 C ATOM 1128 CZ PHE A 77 -19.234 -19.245 -4.644 1.00 0.00 C ATOM 0 H PHE A 77 -19.402 -13.835 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 77 -19.020 -15.453 -7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -21.874 -15.818 -6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -21.364 -16.692 -8.038 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -19.475 -18.332 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -21.154 -16.485 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -18.457 -20.061 -6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.136 -18.211 -3.005 1.00 0.00 H new ATOM 0 HZ PHE A 77 -18.788 -20.005 -4.020 1.00 0.00 H new ATOM 1138 N GLU A 78 -19.241 -14.158 -9.561 1.00 0.00 N ATOM 1139 CA GLU A 78 -19.347 -13.682 -10.936 1.00 0.00 C ATOM 1140 C GLU A 78 -18.261 -14.301 -11.811 1.00 0.00 C ATOM 1141 O GLU A 78 -17.679 -13.630 -12.662 1.00 0.00 O ATOM 1142 CB GLU A 78 -19.245 -12.156 -10.980 1.00 0.00 C ATOM 1143 CG GLU A 78 -18.101 -11.598 -10.152 1.00 0.00 C ATOM 1144 CD GLU A 78 -18.542 -11.156 -8.770 1.00 0.00 C ATOM 1145 OE1 GLU A 78 -19.288 -10.159 -8.675 1.00 0.00 O ATOM 1146 OE2 GLU A 78 -18.140 -11.808 -7.783 1.00 0.00 O ATOM 0 H GLU A 78 -18.304 -14.095 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 78 -20.319 -13.985 -11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -19.121 -11.838 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -20.182 -11.727 -10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.324 -12.356 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.658 -10.751 -10.676 1.00 0.00 H new ATOM 1153 N GLN A 79 -17.994 -15.585 -11.593 1.00 0.00 N ATOM 1154 CA GLN A 79 -16.977 -16.294 -12.361 1.00 0.00 C ATOM 1155 C GLN A 79 -17.616 -17.156 -13.445 1.00 0.00 C ATOM 1156 O GLN A 79 -17.241 -17.077 -14.615 1.00 0.00 O ATOM 1157 CB GLN A 79 -16.125 -17.165 -11.436 1.00 0.00 C ATOM 1158 CG GLN A 79 -14.693 -16.676 -11.288 1.00 0.00 C ATOM 1159 CD GLN A 79 -13.835 -17.620 -10.470 1.00 0.00 C ATOM 1160 OE1 GLN A 79 -13.178 -18.508 -11.013 1.00 0.00 O ATOM 1161 NE2 GLN A 79 -13.838 -17.433 -9.155 1.00 0.00 N ATOM 0 H GLN A 79 -18.467 -16.155 -10.892 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.338 -15.553 -12.842 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.592 -17.200 -10.452 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.114 -18.185 -11.820 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.251 -16.554 -12.277 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.696 -15.693 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.398 -16.684 -8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.280 -18.038 -8.553 1.00 0.00 H new ATOM 1170 N ALA A 80 -18.581 -17.978 -13.048 1.00 0.00 N ATOM 1171 CA ALA A 80 -19.273 -18.853 -13.986 1.00 0.00 C ATOM 1172 C ALA A 80 -19.871 -18.057 -15.141 1.00 0.00 C ATOM 1173 O ALA A 80 -19.342 -18.061 -16.253 1.00 0.00 O ATOM 1174 CB ALA A 80 -20.358 -19.643 -13.269 1.00 0.00 C ATOM 0 H ALA A 80 -18.902 -18.056 -12.083 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.544 -19.550 -14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -20.867 -20.292 -13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -19.908 -20.249 -12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -21.078 -18.954 -12.828 1.00 0.00 H new ATOM 1180 N THR A 81 -20.980 -17.374 -14.871 1.00 0.00 N ATOM 1181 CA THR A 81 -21.651 -16.575 -15.888 1.00 0.00 C ATOM 1182 C THR A 81 -22.123 -17.444 -17.048 1.00 0.00 C ATOM 1183 O THR A 81 -21.809 -18.632 -17.112 1.00 0.00 O ATOM 1184 CB THR A 81 -20.728 -15.468 -16.434 1.00 0.00 C ATOM 1185 OG1 THR A 81 -19.635 -15.255 -15.534 1.00 0.00 O ATOM 1186 CG2 THR A 81 -21.496 -14.169 -16.624 1.00 0.00 C ATOM 0 H THR A 81 -21.432 -17.359 -13.957 1.00 0.00 H new ATOM 0 HA THR A 81 -22.514 -16.114 -15.408 1.00 0.00 H new ATOM 0 HB THR A 81 -20.344 -15.789 -17.402 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.052 -14.552 -15.888 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.824 -13.402 -17.010 1.00 0.00 H new ATOM 0 HG22 THR A 81 -22.310 -14.328 -17.331 1.00 0.00 H new ATOM 0 HG23 THR A 81 -21.905 -13.845 -15.667 1.00 0.00 H new ATOM 1194 N GLN A 82 -22.879 -16.844 -17.962 1.00 0.00 N ATOM 1195 CA GLN A 82 -23.395 -17.566 -19.119 1.00 0.00 C ATOM 1196 C GLN A 82 -24.252 -18.750 -18.685 1.00 0.00 C ATOM 1197 O GLN A 82 -24.214 -19.814 -19.302 1.00 0.00 O ATOM 1198 CB GLN A 82 -22.241 -18.051 -19.999 1.00 0.00 C ATOM 1199 CG GLN A 82 -21.339 -16.931 -20.491 1.00 0.00 C ATOM 1200 CD GLN A 82 -22.111 -15.808 -21.155 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -22.269 -14.727 -20.586 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -22.597 -16.058 -22.365 1.00 0.00 N ATOM 0 H GLN A 82 -23.148 -15.861 -17.924 1.00 0.00 H new ATOM 0 HA GLN A 82 -24.019 -16.882 -19.694 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -21.643 -18.768 -19.437 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -22.649 -18.582 -20.859 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -20.773 -16.530 -19.650 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -20.615 -17.337 -21.198 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -22.442 -16.968 -22.799 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -23.125 -15.340 -22.861 1.00 0.00 H new ATOM 1211 N GLU A 83 -25.024 -18.557 -17.620 1.00 0.00 N ATOM 1212 CA GLU A 83 -25.889 -19.611 -17.104 1.00 0.00 C ATOM 1213 C GLU A 83 -27.353 -19.183 -17.148 1.00 0.00 C ATOM 1214 O GLU A 83 -27.793 -18.354 -16.350 1.00 0.00 O ATOM 1215 CB GLU A 83 -25.494 -19.969 -15.670 1.00 0.00 C ATOM 1216 CG GLU A 83 -26.099 -21.274 -15.180 1.00 0.00 C ATOM 1217 CD GLU A 83 -27.158 -21.062 -14.115 1.00 0.00 C ATOM 1218 OE1 GLU A 83 -26.874 -20.353 -13.127 1.00 0.00 O ATOM 1219 OE2 GLU A 83 -28.271 -21.606 -14.270 1.00 0.00 O ATOM 0 H GLU A 83 -25.068 -17.682 -17.098 1.00 0.00 H new ATOM 0 HA GLU A 83 -25.766 -20.490 -17.737 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -24.408 -20.036 -15.607 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -25.803 -19.163 -15.005 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -26.539 -21.806 -16.024 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -25.309 -21.909 -14.780 1.00 0.00 H new ATOM 1226 N TYR A 84 -28.102 -19.752 -18.085 1.00 0.00 N ATOM 1227 CA TYR A 84 -29.516 -19.428 -18.236 1.00 0.00 C ATOM 1228 C TYR A 84 -30.320 -20.665 -18.624 1.00 0.00 C ATOM 1229 O TYR A 84 -30.385 -21.035 -19.796 1.00 0.00 O ATOM 1230 CB TYR A 84 -29.700 -18.335 -19.290 1.00 0.00 C ATOM 1231 CG TYR A 84 -30.722 -17.289 -18.906 1.00 0.00 C ATOM 1232 CD1 TYR A 84 -32.077 -17.496 -19.134 1.00 0.00 C ATOM 1233 CD2 TYR A 84 -30.333 -16.094 -18.313 1.00 0.00 C ATOM 1234 CE1 TYR A 84 -33.014 -16.543 -18.785 1.00 0.00 C ATOM 1235 CE2 TYR A 84 -31.263 -15.136 -17.959 1.00 0.00 C ATOM 1236 CZ TYR A 84 -32.602 -15.365 -18.198 1.00 0.00 C ATOM 1237 OH TYR A 84 -33.533 -14.414 -17.847 1.00 0.00 O ATOM 0 H TYR A 84 -27.754 -20.440 -18.752 1.00 0.00 H new ATOM 0 HA TYR A 84 -29.884 -19.064 -17.277 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -28.741 -17.847 -19.466 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -30.000 -18.796 -20.231 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -32.403 -18.418 -19.592 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -29.285 -15.911 -18.126 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -34.063 -16.719 -18.971 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -30.944 -14.213 -17.498 1.00 0.00 H new ATOM 0 HH TYR A 84 -33.079 -13.645 -17.444 1.00 0.00 H new ATOM 1247 N SER A 85 -30.932 -21.301 -17.629 1.00 0.00 N ATOM 1248 CA SER A 85 -31.730 -22.498 -17.864 1.00 0.00 C ATOM 1249 C SER A 85 -30.876 -23.612 -18.461 1.00 0.00 C ATOM 1250 O SER A 85 -31.321 -24.346 -19.344 1.00 0.00 O ATOM 1251 CB SER A 85 -32.901 -22.182 -18.796 1.00 0.00 C ATOM 1252 OG SER A 85 -33.628 -21.055 -18.338 1.00 0.00 O ATOM 0 H SER A 85 -30.890 -21.007 -16.653 1.00 0.00 H new ATOM 0 HA SER A 85 -32.121 -22.838 -16.905 1.00 0.00 H new ATOM 0 HB2 SER A 85 -32.528 -21.993 -19.803 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.564 -23.045 -18.858 1.00 0.00 H new ATOM 0 HG SER A 85 -34.370 -20.873 -18.952 1.00 0.00 H new ATOM 1258 N LEU A 86 -29.646 -23.731 -17.974 1.00 0.00 N ATOM 1259 CA LEU A 86 -28.727 -24.755 -18.459 1.00 0.00 C ATOM 1260 C LEU A 86 -28.502 -24.618 -19.961 1.00 0.00 C ATOM 1261 O LEU A 86 -28.898 -25.485 -20.740 1.00 0.00 O ATOM 1262 CB LEU A 86 -29.270 -26.149 -18.139 1.00 0.00 C ATOM 1263 CG LEU A 86 -29.863 -26.333 -16.741 1.00 0.00 C ATOM 1264 CD1 LEU A 86 -31.367 -26.541 -16.823 1.00 0.00 C ATOM 1265 CD2 LEU A 86 -29.198 -27.504 -16.030 1.00 0.00 C ATOM 0 H LEU A 86 -29.262 -23.131 -17.244 1.00 0.00 H new ATOM 0 HA LEU A 86 -27.771 -24.619 -17.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -30.037 -26.396 -18.873 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -28.463 -26.870 -18.267 1.00 0.00 H new ATOM 0 HG LEU A 86 -29.673 -25.428 -16.164 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -31.772 -26.670 -15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -31.829 -25.672 -17.292 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -31.580 -27.430 -17.417 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -29.632 -27.621 -15.037 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -29.357 -28.416 -16.605 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -28.129 -27.314 -15.939 1.00 0.00 H new ATOM 1277 N SER A 87 -27.861 -23.524 -20.361 1.00 0.00 N ATOM 1278 CA SER A 87 -27.584 -23.272 -21.770 1.00 0.00 C ATOM 1279 C SER A 87 -26.167 -22.738 -21.959 1.00 0.00 C ATOM 1280 O SER A 87 -25.854 -21.620 -21.551 1.00 0.00 O ATOM 1281 CB SER A 87 -28.596 -22.277 -22.341 1.00 0.00 C ATOM 1282 OG SER A 87 -28.131 -21.716 -23.556 1.00 0.00 O ATOM 0 H SER A 87 -27.524 -22.798 -19.729 1.00 0.00 H new ATOM 0 HA SER A 87 -27.672 -24.217 -22.306 1.00 0.00 H new ATOM 0 HB2 SER A 87 -29.549 -22.779 -22.510 1.00 0.00 H new ATOM 0 HB3 SER A 87 -28.778 -21.483 -21.617 1.00 0.00 H new ATOM 0 HG SER A 87 -28.797 -21.085 -23.901 1.00 0.00 H new ATOM 1288 N GLY A 88 -25.314 -23.547 -22.580 1.00 0.00 N ATOM 1289 CA GLY A 88 -23.941 -23.140 -22.812 1.00 0.00 C ATOM 1290 C GLY A 88 -23.132 -24.207 -23.522 1.00 0.00 C ATOM 1291 O GLY A 88 -23.677 -25.125 -24.134 1.00 0.00 O ATOM 0 H GLY A 88 -25.550 -24.477 -22.926 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -23.932 -22.226 -23.406 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -23.469 -22.905 -21.858 1.00 0.00 H new ATOM 1295 N PRO A 89 -21.798 -24.093 -23.445 1.00 0.00 N ATOM 1296 CA PRO A 89 -20.883 -25.046 -24.080 1.00 0.00 C ATOM 1297 C PRO A 89 -20.904 -26.410 -23.399 1.00 0.00 C ATOM 1298 O PRO A 89 -20.141 -26.660 -22.465 1.00 0.00 O ATOM 1299 CB PRO A 89 -19.512 -24.387 -23.915 1.00 0.00 C ATOM 1300 CG PRO A 89 -19.655 -23.508 -22.721 1.00 0.00 C ATOM 1301 CD PRO A 89 -21.079 -23.024 -22.731 1.00 0.00 C ATOM 0 HA PRO A 89 -21.154 -25.242 -25.117 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -18.730 -25.132 -23.767 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -19.240 -23.811 -24.800 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -19.436 -24.056 -21.805 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -18.958 -22.671 -22.767 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -21.464 -22.887 -21.720 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -21.174 -22.066 -23.241 1.00 0.00 H new ATOM 1309 N SER A 90 -21.780 -27.290 -23.872 1.00 0.00 N ATOM 1310 CA SER A 90 -21.902 -28.629 -23.306 1.00 0.00 C ATOM 1311 C SER A 90 -20.584 -29.388 -23.421 1.00 0.00 C ATOM 1312 O SER A 90 -20.247 -30.202 -22.561 1.00 0.00 O ATOM 1313 CB SER A 90 -23.014 -29.405 -24.013 1.00 0.00 C ATOM 1314 OG SER A 90 -23.788 -28.551 -24.838 1.00 0.00 O ATOM 0 H SER A 90 -22.416 -27.100 -24.646 1.00 0.00 H new ATOM 0 HA SER A 90 -22.154 -28.530 -22.250 1.00 0.00 H new ATOM 0 HB2 SER A 90 -22.579 -30.202 -24.616 1.00 0.00 H new ATOM 0 HB3 SER A 90 -23.657 -29.881 -23.273 1.00 0.00 H new ATOM 0 HG SER A 90 -24.491 -29.072 -25.280 1.00 0.00 H new ATOM 1320 N SER A 91 -19.842 -29.116 -24.490 1.00 0.00 N ATOM 1321 CA SER A 91 -18.562 -29.776 -24.720 1.00 0.00 C ATOM 1322 C SER A 91 -17.455 -28.751 -24.943 1.00 0.00 C ATOM 1323 O SER A 91 -17.532 -27.925 -25.851 1.00 0.00 O ATOM 1324 CB SER A 91 -18.657 -30.712 -25.927 1.00 0.00 C ATOM 1325 OG SER A 91 -17.776 -31.813 -25.789 1.00 0.00 O ATOM 0 H SER A 91 -20.105 -28.443 -25.210 1.00 0.00 H new ATOM 0 HA SER A 91 -18.318 -30.361 -23.833 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.680 -31.072 -26.032 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.417 -30.162 -26.837 1.00 0.00 H new ATOM 0 HG SER A 91 -17.857 -32.397 -26.572 1.00 0.00 H new ATOM 1331 N GLY A 92 -16.423 -28.812 -24.106 1.00 0.00 N ATOM 1332 CA GLY A 92 -15.314 -27.885 -24.227 1.00 0.00 C ATOM 1333 C GLY A 92 -14.292 -28.055 -23.120 1.00 0.00 C ATOM 1334 O GLY A 92 -13.135 -28.350 -23.414 1.00 0.00 O ATOM 0 H GLY A 92 -16.336 -29.487 -23.346 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.827 -28.029 -25.192 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.695 -26.864 -24.212 1.00 0.00 H new TER 1338 GLY A 92 HETATM 1339 ZN ZN A 201 16.240 -0.261 6.228 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 2.193 0.798 2.977 1.00 0.00 ZN