USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 Single : A 4 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.18 F(o=-2.6,f=-1.2) USER MOD Single : A 20 THR OG1 : rot -22:sc= -2.1 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= -0.0243 (180deg=-0.708) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -62:sc= -9.03! USER MOD Single : A 44 MET CE :methyl 166:sc= -2.21 (180deg=-3.43) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.748 F(o=-2.2!,f=-0.75) USER MOD Single : A 51 THR OG1 : rot 130:sc= -0.328 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 30:sc= -1.24 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.092 K(o=-0.092,f=-1.3) USER MOD Single : A 79 LYS NZ :NH3+ -139:sc= -0.203 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.881 1.594 -8.341 1.00 0.00 N ATOM 44 CA THR A 4 -10.520 1.829 -7.057 1.00 0.00 C ATOM 45 C THR A 4 -9.758 1.107 -5.944 1.00 0.00 C ATOM 46 O THR A 4 -8.731 0.479 -6.195 1.00 0.00 O ATOM 47 CB THR A 4 -11.983 1.398 -7.171 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.643 2.132 -6.143 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.195 -0.065 -6.779 1.00 0.00 C ATOM 0 HA THR A 4 -10.498 2.886 -6.791 1.00 0.00 H new ATOM 0 HB THR A 4 -12.328 1.553 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.598 1.914 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.250 -0.319 -6.878 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.605 -0.706 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.881 -0.214 -5.746 1.00 0.00 H new ATOM 57 N GLN A 5 -10.292 1.221 -4.736 1.00 0.00 N ATOM 58 CA GLN A 5 -9.676 0.587 -3.583 1.00 0.00 C ATOM 59 C GLN A 5 -9.452 -0.902 -3.853 1.00 0.00 C ATOM 60 O GLN A 5 -8.311 -1.353 -3.951 1.00 0.00 O ATOM 61 CB GLN A 5 -10.523 0.794 -2.326 1.00 0.00 C ATOM 62 CG GLN A 5 -9.824 0.218 -1.092 1.00 0.00 C ATOM 63 CD GLN A 5 -8.835 1.225 -0.502 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.684 1.305 -1.163 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -9.100 1.887 0.489 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.144 1.743 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.707 1.055 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.709 1.858 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.494 0.316 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.567 -0.050 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.298 -0.698 -1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.004 1.777 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.418 2.550 0.857 1.00 0.00 H new ATOM 72 N GLU A 6 -10.557 -1.624 -3.964 1.00 0.00 N ATOM 73 CA GLU A 6 -10.494 -3.053 -4.221 1.00 0.00 C ATOM 74 C GLU A 6 -9.597 -3.337 -5.427 1.00 0.00 C ATOM 75 O GLU A 6 -9.118 -4.457 -5.598 1.00 0.00 O ATOM 76 CB GLU A 6 -11.894 -3.634 -4.430 1.00 0.00 C ATOM 77 CG GLU A 6 -12.328 -4.468 -3.223 1.00 0.00 C ATOM 78 CD GLU A 6 -13.828 -4.317 -2.962 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.234 -3.478 -2.143 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.583 -5.108 -3.646 1.00 0.00 O ATOM 0 H GLU A 6 -11.501 -1.247 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.060 -3.541 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.607 -2.825 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.904 -4.253 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.090 -5.517 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.769 -4.156 -2.341 1.00 0.00 H new ATOM 86 N GLU A 7 -9.397 -2.304 -6.231 1.00 0.00 N ATOM 87 CA GLU A 7 -8.565 -2.428 -7.416 1.00 0.00 C ATOM 88 C GLU A 7 -7.086 -2.470 -7.025 1.00 0.00 C ATOM 89 O GLU A 7 -6.320 -3.267 -7.565 1.00 0.00 O ATOM 90 CB GLU A 7 -8.840 -1.291 -8.401 1.00 0.00 C ATOM 91 CG GLU A 7 -9.411 -1.828 -9.715 1.00 0.00 C ATOM 92 CD GLU A 7 -10.593 -2.764 -9.457 1.00 0.00 C ATOM 93 OE1 GLU A 7 -10.480 -3.980 -9.672 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.659 -2.187 -9.014 1.00 0.00 O ATOM 0 H GLU A 7 -9.797 -1.377 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.815 -3.364 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.541 -0.583 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.917 -0.745 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.731 -0.997 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.634 -2.361 -10.263 1.00 0.00 H new ATOM 100 N ILE A 8 -6.730 -1.603 -6.089 1.00 0.00 N ATOM 101 CA ILE A 8 -5.357 -1.531 -5.620 1.00 0.00 C ATOM 102 C ILE A 8 -5.203 -2.400 -4.369 1.00 0.00 C ATOM 103 O ILE A 8 -4.102 -2.548 -3.844 1.00 0.00 O ATOM 104 CB ILE A 8 -4.938 -0.074 -5.411 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.527 0.827 -6.498 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.415 0.051 -5.326 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.360 2.304 -6.136 1.00 0.00 C ATOM 0 H ILE A 8 -7.368 -0.944 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.677 -1.930 -6.372 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.343 0.265 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.035 0.624 -7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.585 0.599 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.143 1.096 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.047 -0.542 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.968 -0.312 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.787 2.923 -6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.874 2.509 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.300 2.535 -6.028 1.00 0.00 H new ATOM 118 N ILE A 9 -6.326 -2.950 -3.930 1.00 0.00 N ATOM 119 CA ILE A 9 -6.330 -3.800 -2.750 1.00 0.00 C ATOM 120 C ILE A 9 -6.484 -5.261 -3.181 1.00 0.00 C ATOM 121 O ILE A 9 -5.829 -6.145 -2.633 1.00 0.00 O ATOM 122 CB ILE A 9 -7.398 -3.335 -1.758 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.094 -1.925 -1.248 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.558 -4.338 -0.614 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.695 -1.705 0.142 1.00 0.00 C ATOM 0 H ILE A 9 -7.238 -2.824 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.381 -3.721 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.354 -3.289 -2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.015 -1.772 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.496 -1.188 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.323 -3.983 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.854 -5.306 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.611 -4.440 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.465 -0.695 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.776 -1.835 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.272 -2.428 0.840 1.00 0.00 H new ATOM 136 N ALA A 10 -7.355 -5.467 -4.157 1.00 0.00 N ATOM 137 CA ALA A 10 -7.605 -6.804 -4.667 1.00 0.00 C ATOM 138 C ALA A 10 -6.704 -7.061 -5.877 1.00 0.00 C ATOM 139 O ALA A 10 -6.239 -8.181 -6.082 1.00 0.00 O ATOM 140 CB ALA A 10 -9.090 -6.954 -5.005 1.00 0.00 C ATOM 0 H ALA A 10 -7.897 -4.730 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.365 -7.552 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.277 -7.957 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.686 -6.792 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.367 -6.220 -5.762 1.00 0.00 H new ATOM 146 N GLY A 11 -6.485 -6.005 -6.646 1.00 0.00 N ATOM 147 CA GLY A 11 -5.647 -6.101 -7.829 1.00 0.00 C ATOM 148 C GLY A 11 -4.179 -6.297 -7.448 1.00 0.00 C ATOM 149 O GLY A 11 -3.469 -7.079 -8.077 1.00 0.00 O ATOM 0 H GLY A 11 -6.874 -5.078 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.980 -6.934 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.753 -5.197 -8.428 1.00 0.00 H new ATOM 153 N ILE A 12 -3.767 -5.572 -6.417 1.00 0.00 N ATOM 154 CA ILE A 12 -2.395 -5.656 -5.944 1.00 0.00 C ATOM 155 C ILE A 12 -2.227 -6.925 -5.106 1.00 0.00 C ATOM 156 O ILE A 12 -1.334 -7.730 -5.365 1.00 0.00 O ATOM 157 CB ILE A 12 -2.003 -4.375 -5.207 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.951 -3.184 -6.166 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.687 -4.558 -4.449 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.747 -2.288 -5.865 1.00 0.00 C ATOM 0 H ILE A 12 -4.359 -4.924 -5.897 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.706 -5.735 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.773 -4.159 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.894 -3.543 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.870 -2.604 -6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.432 -3.632 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.796 -5.361 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.106 -4.812 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.734 -1.449 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.820 -1.911 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.172 -2.864 -5.974 1.00 0.00 H new ATOM 171 N ALA A 13 -3.099 -7.062 -4.117 1.00 0.00 N ATOM 172 CA ALA A 13 -3.057 -8.218 -3.239 1.00 0.00 C ATOM 173 C ALA A 13 -2.795 -9.476 -4.070 1.00 0.00 C ATOM 174 O ALA A 13 -1.954 -10.297 -3.710 1.00 0.00 O ATOM 175 CB ALA A 13 -4.364 -8.304 -2.447 1.00 0.00 C ATOM 0 H ALA A 13 -3.838 -6.392 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.244 -8.124 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.333 -9.171 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.489 -7.400 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.202 -8.402 -3.137 1.00 0.00 H new ATOM 181 N GLU A 14 -3.532 -9.586 -5.166 1.00 0.00 N ATOM 182 CA GLU A 14 -3.390 -10.729 -6.050 1.00 0.00 C ATOM 183 C GLU A 14 -1.964 -10.800 -6.602 1.00 0.00 C ATOM 184 O GLU A 14 -1.367 -11.874 -6.653 1.00 0.00 O ATOM 185 CB GLU A 14 -4.414 -10.675 -7.185 1.00 0.00 C ATOM 186 CG GLU A 14 -5.712 -11.381 -6.787 1.00 0.00 C ATOM 187 CD GLU A 14 -6.274 -12.194 -7.955 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.437 -13.418 -7.837 1.00 0.00 O ATOM 189 OE2 GLU A 14 -6.548 -11.511 -9.013 1.00 0.00 O ATOM 0 H GLU A 14 -4.229 -8.902 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.582 -11.634 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.624 -9.636 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.999 -11.145 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.527 -12.038 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.447 -10.644 -6.465 1.00 0.00 H new ATOM 195 N ILE A 15 -1.460 -9.642 -7.001 1.00 0.00 N ATOM 196 CA ILE A 15 -0.116 -9.558 -7.545 1.00 0.00 C ATOM 197 C ILE A 15 0.896 -9.917 -6.455 1.00 0.00 C ATOM 198 O ILE A 15 1.841 -10.664 -6.702 1.00 0.00 O ATOM 199 CB ILE A 15 0.122 -8.186 -8.177 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.688 -8.027 -9.465 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.615 -7.938 -8.405 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.360 -6.703 -10.159 1.00 0.00 C ATOM 0 H ILE A 15 -1.959 -8.753 -6.958 1.00 0.00 H new ATOM 0 HA ILE A 15 0.014 -10.281 -8.350 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.228 -7.425 -7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.474 -8.857 -10.138 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.753 -8.068 -9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.756 -6.955 -8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.140 -7.979 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.013 -8.703 -9.071 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.949 -6.615 -11.072 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.598 -5.874 -9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.701 -6.676 -10.408 1.00 0.00 H new ATOM 213 N ILE A 16 0.662 -9.368 -5.273 1.00 0.00 N ATOM 214 CA ILE A 16 1.541 -9.621 -4.144 1.00 0.00 C ATOM 215 C ILE A 16 1.673 -11.131 -3.934 1.00 0.00 C ATOM 216 O ILE A 16 2.724 -11.613 -3.512 1.00 0.00 O ATOM 217 CB ILE A 16 1.051 -8.870 -2.904 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.986 -7.363 -3.166 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.914 -9.202 -1.684 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.830 -6.585 -1.859 1.00 0.00 C ATOM 0 H ILE A 16 -0.123 -8.749 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 16 2.541 -9.237 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 16 0.037 -9.203 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.892 -7.040 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.148 -7.141 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.544 -8.655 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.866 -10.273 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.947 -8.915 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.786 -5.517 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.089 -6.892 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.681 -6.790 -1.210 1.00 0.00 H new ATOM 231 N GLU A 17 0.593 -11.836 -4.238 1.00 0.00 N ATOM 232 CA GLU A 17 0.576 -13.281 -4.088 1.00 0.00 C ATOM 233 C GLU A 17 1.361 -13.942 -5.223 1.00 0.00 C ATOM 234 O GLU A 17 1.436 -15.167 -5.299 1.00 0.00 O ATOM 235 CB GLU A 17 -0.860 -13.809 -4.035 1.00 0.00 C ATOM 236 CG GLU A 17 -0.884 -15.289 -3.648 1.00 0.00 C ATOM 237 CD GLU A 17 -1.291 -16.160 -4.838 1.00 0.00 C ATOM 238 OE1 GLU A 17 -0.425 -16.755 -5.496 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.559 -16.208 -5.071 1.00 0.00 O ATOM 0 H GLU A 17 -0.276 -11.433 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 17 1.058 -13.535 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.438 -13.231 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.337 -13.675 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.101 -15.591 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.582 -15.442 -2.825 1.00 0.00 H new ATOM 245 N GLU A 18 1.927 -13.101 -6.076 1.00 0.00 N ATOM 246 CA GLU A 18 2.704 -13.587 -7.203 1.00 0.00 C ATOM 247 C GLU A 18 4.189 -13.288 -6.993 1.00 0.00 C ATOM 248 O GLU A 18 5.044 -14.113 -7.312 1.00 0.00 O ATOM 249 CB GLU A 18 2.204 -12.982 -8.517 1.00 0.00 C ATOM 250 CG GLU A 18 0.696 -13.193 -8.679 1.00 0.00 C ATOM 251 CD GLU A 18 0.390 -14.017 -9.931 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.155 -15.126 -9.825 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.739 -13.467 -11.044 1.00 0.00 O ATOM 0 H GLU A 18 1.863 -12.085 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 18 2.576 -14.668 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.430 -11.916 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.731 -13.438 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.299 -13.700 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.195 -12.227 -8.743 1.00 0.00 H new ATOM 259 N VAL A 19 4.452 -12.106 -6.456 1.00 0.00 N ATOM 260 CA VAL A 19 5.820 -11.688 -6.198 1.00 0.00 C ATOM 261 C VAL A 19 6.255 -12.201 -4.824 1.00 0.00 C ATOM 262 O VAL A 19 7.216 -12.960 -4.717 1.00 0.00 O ATOM 263 CB VAL A 19 5.937 -10.169 -6.334 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.397 -9.745 -6.501 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.081 -9.655 -7.493 1.00 0.00 C ATOM 0 H VAL A 19 3.741 -11.424 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 19 6.497 -12.120 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 19 5.561 -9.720 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.452 -8.661 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.970 -10.063 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.810 -10.209 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.182 -8.572 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.414 -10.116 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.036 -9.910 -7.315 1.00 0.00 H new ATOM 275 N THR A 20 5.526 -11.765 -3.807 1.00 0.00 N ATOM 276 CA THR A 20 5.825 -12.171 -2.444 1.00 0.00 C ATOM 277 C THR A 20 5.182 -13.524 -2.137 1.00 0.00 C ATOM 278 O THR A 20 5.621 -14.233 -1.233 1.00 0.00 O ATOM 279 CB THR A 20 5.363 -11.053 -1.507 1.00 0.00 C ATOM 280 OG1 THR A 20 3.941 -11.098 -1.585 1.00 0.00 O ATOM 281 CG2 THR A 20 5.720 -9.662 -2.033 1.00 0.00 C ATOM 0 H THR A 20 4.729 -11.135 -3.899 1.00 0.00 H new ATOM 0 HA THR A 20 6.896 -12.315 -2.300 1.00 0.00 H new ATOM 0 HB THR A 20 5.813 -11.196 -0.524 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.673 -11.531 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.369 -8.906 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.801 -9.581 -2.143 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.244 -9.506 -3.001 1.00 0.00 H new ATOM 289 N GLY A 21 4.154 -13.844 -2.909 1.00 0.00 N ATOM 290 CA GLY A 21 3.446 -15.101 -2.731 1.00 0.00 C ATOM 291 C GLY A 21 2.556 -15.058 -1.488 1.00 0.00 C ATOM 292 O GLY A 21 2.192 -16.100 -0.944 1.00 0.00 O ATOM 0 H GLY A 21 3.794 -13.255 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.837 -15.307 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.163 -15.917 -2.641 1.00 0.00 H new ATOM 296 N ILE A 22 2.230 -13.842 -1.074 1.00 0.00 N ATOM 297 CA ILE A 22 1.389 -13.650 0.095 1.00 0.00 C ATOM 298 C ILE A 22 -0.077 -13.850 -0.299 1.00 0.00 C ATOM 299 O ILE A 22 -0.405 -13.890 -1.483 1.00 0.00 O ATOM 300 CB ILE A 22 1.671 -12.292 0.741 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.127 -12.197 1.201 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.691 -12.011 1.881 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.545 -10.739 1.402 1.00 0.00 C ATOM 0 H ILE A 22 2.533 -12.980 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 22 1.620 -14.394 0.857 1.00 0.00 H new ATOM 0 HB ILE A 22 1.518 -11.518 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.254 -12.747 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.777 -12.667 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.915 -11.040 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.327 -12.007 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.786 -12.785 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.584 -10.700 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.440 -10.197 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.909 -10.279 2.159 1.00 0.00 H new ATOM 314 N GLU A 23 -0.918 -13.969 0.717 1.00 0.00 N ATOM 315 CA GLU A 23 -2.340 -14.164 0.494 1.00 0.00 C ATOM 316 C GLU A 23 -2.976 -12.875 -0.029 1.00 0.00 C ATOM 317 O GLU A 23 -2.508 -11.779 0.276 1.00 0.00 O ATOM 318 CB GLU A 23 -3.036 -14.642 1.770 1.00 0.00 C ATOM 319 CG GLU A 23 -3.490 -16.096 1.635 1.00 0.00 C ATOM 320 CD GLU A 23 -2.762 -16.993 2.639 1.00 0.00 C ATOM 321 OE1 GLU A 23 -3.345 -17.377 3.664 1.00 0.00 O ATOM 322 OE2 GLU A 23 -1.547 -17.291 2.324 1.00 0.00 O ATOM 0 H GLU A 23 -0.641 -13.934 1.698 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.467 -14.941 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.356 -14.547 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.897 -14.007 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.566 -16.161 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.298 -16.448 0.621 1.00 0.00 H new ATOM 328 N PRO A 24 -4.064 -13.053 -0.827 1.00 0.00 N ATOM 329 CA PRO A 24 -4.769 -11.917 -1.395 1.00 0.00 C ATOM 330 C PRO A 24 -5.620 -11.214 -0.334 1.00 0.00 C ATOM 331 O PRO A 24 -5.555 -9.995 -0.189 1.00 0.00 O ATOM 332 CB PRO A 24 -5.595 -12.494 -2.532 1.00 0.00 C ATOM 333 CG PRO A 24 -5.682 -13.989 -2.265 1.00 0.00 C ATOM 334 CD PRO A 24 -4.646 -14.335 -1.209 1.00 0.00 C ATOM 0 HA PRO A 24 -4.094 -11.145 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.587 -12.044 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.126 -12.296 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.681 -14.258 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.497 -14.552 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.103 -14.833 -0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.888 -15.012 -1.604 1.00 0.00 H new ATOM 339 N SER A 25 -6.397 -12.015 0.380 1.00 0.00 N ATOM 340 CA SER A 25 -7.260 -11.486 1.423 1.00 0.00 C ATOM 341 C SER A 25 -6.413 -10.903 2.557 1.00 0.00 C ATOM 342 O SER A 25 -6.868 -10.024 3.287 1.00 0.00 O ATOM 343 CB SER A 25 -8.199 -12.566 1.962 1.00 0.00 C ATOM 344 OG SER A 25 -9.551 -12.118 2.020 1.00 0.00 O ATOM 0 H SER A 25 -6.447 -13.026 0.257 1.00 0.00 H new ATOM 0 HA SER A 25 -7.872 -10.694 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.137 -13.450 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.873 -12.865 2.958 1.00 0.00 H new ATOM 0 HG SER A 25 -10.119 -12.837 2.368 1.00 0.00 H new ATOM 349 N GLU A 26 -5.197 -11.418 2.669 1.00 0.00 N ATOM 350 CA GLU A 26 -4.283 -10.960 3.701 1.00 0.00 C ATOM 351 C GLU A 26 -3.959 -9.478 3.504 1.00 0.00 C ATOM 352 O GLU A 26 -3.949 -8.707 4.463 1.00 0.00 O ATOM 353 CB GLU A 26 -3.007 -11.804 3.717 1.00 0.00 C ATOM 354 CG GLU A 26 -2.336 -11.757 5.091 1.00 0.00 C ATOM 355 CD GLU A 26 -0.850 -12.110 4.989 1.00 0.00 C ATOM 356 OE1 GLU A 26 0.008 -11.237 5.184 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.602 -13.341 4.696 1.00 0.00 O ATOM 0 H GLU A 26 -4.824 -12.148 2.062 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.770 -11.079 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.246 -12.836 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.315 -11.439 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.448 -10.761 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.833 -12.453 5.766 1.00 0.00 H new ATOM 363 N ILE A 27 -3.701 -9.122 2.253 1.00 0.00 N ATOM 364 CA ILE A 27 -3.377 -7.746 1.918 1.00 0.00 C ATOM 365 C ILE A 27 -4.586 -6.856 2.213 1.00 0.00 C ATOM 366 O ILE A 27 -5.716 -7.207 1.877 1.00 0.00 O ATOM 367 CB ILE A 27 -2.879 -7.650 0.475 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.407 -8.057 0.374 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.128 -6.254 -0.099 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.074 -9.162 1.378 1.00 0.00 C ATOM 0 H ILE A 27 -3.710 -9.763 1.460 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.557 -7.385 2.538 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.450 -8.354 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.190 -8.402 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.773 -7.190 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.765 -6.213 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.197 -6.039 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.600 -5.514 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.022 -9.433 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.269 -8.806 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.693 -10.036 1.176 1.00 0.00 H new ATOM 381 N THR A 28 -4.306 -5.721 2.837 1.00 0.00 N ATOM 382 CA THR A 28 -5.357 -4.778 3.180 1.00 0.00 C ATOM 383 C THR A 28 -4.796 -3.356 3.247 1.00 0.00 C ATOM 384 O THR A 28 -3.583 -3.160 3.183 1.00 0.00 O ATOM 385 CB THR A 28 -5.997 -5.240 4.490 1.00 0.00 C ATOM 386 OG1 THR A 28 -5.056 -6.164 5.031 1.00 0.00 O ATOM 387 CG2 THR A 28 -7.255 -6.081 4.262 1.00 0.00 C ATOM 0 H THR A 28 -3.367 -5.433 3.114 1.00 0.00 H new ATOM 0 HA THR A 28 -6.132 -4.753 2.414 1.00 0.00 H new ATOM 0 HB THR A 28 -6.246 -4.370 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.392 -6.512 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.670 -6.383 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.993 -5.492 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.000 -6.968 3.682 1.00 0.00 H new ATOM 395 N PRO A 29 -5.728 -2.376 3.379 1.00 0.00 N ATOM 396 CA PRO A 29 -5.339 -0.978 3.456 1.00 0.00 C ATOM 397 C PRO A 29 -4.748 -0.648 4.828 1.00 0.00 C ATOM 398 O PRO A 29 -5.068 0.385 5.413 1.00 0.00 O ATOM 399 CB PRO A 29 -6.610 -0.198 3.154 1.00 0.00 C ATOM 400 CG PRO A 29 -7.758 -1.170 3.378 1.00 0.00 C ATOM 401 CD PRO A 29 -7.173 -2.571 3.459 1.00 0.00 C ATOM 0 HA PRO A 29 -4.552 -0.721 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.700 0.670 3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.607 0.173 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.292 -0.925 4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.479 -1.104 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.455 -3.064 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.533 -3.198 2.644 1.00 0.00 H new ATOM 406 N GLU A 30 -3.896 -1.544 5.300 1.00 0.00 N ATOM 407 CA GLU A 30 -3.256 -1.361 6.592 1.00 0.00 C ATOM 408 C GLU A 30 -1.787 -1.784 6.522 1.00 0.00 C ATOM 409 O GLU A 30 -1.112 -1.865 7.547 1.00 0.00 O ATOM 410 CB GLU A 30 -3.997 -2.134 7.685 1.00 0.00 C ATOM 411 CG GLU A 30 -5.382 -1.534 7.937 1.00 0.00 C ATOM 412 CD GLU A 30 -5.430 -0.813 9.285 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.577 -1.462 10.332 1.00 0.00 O ATOM 414 OE2 GLU A 30 -5.307 0.470 9.222 1.00 0.00 O ATOM 0 H GLU A 30 -3.633 -2.400 4.811 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.297 -0.303 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.097 -3.179 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.415 -2.116 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.631 -0.836 7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.134 -2.323 7.916 1.00 0.00 H new ATOM 420 N LYS A 31 -1.337 -2.043 5.303 1.00 0.00 N ATOM 421 CA LYS A 31 0.040 -2.455 5.086 1.00 0.00 C ATOM 422 C LYS A 31 0.962 -1.246 5.250 1.00 0.00 C ATOM 423 O LYS A 31 0.498 -0.107 5.291 1.00 0.00 O ATOM 424 CB LYS A 31 0.182 -3.158 3.735 1.00 0.00 C ATOM 425 CG LYS A 31 -0.693 -4.411 3.673 1.00 0.00 C ATOM 426 CD LYS A 31 0.157 -5.664 3.456 1.00 0.00 C ATOM 427 CE LYS A 31 -0.169 -6.736 4.498 1.00 0.00 C ATOM 428 NZ LYS A 31 0.922 -7.733 4.573 1.00 0.00 N ATOM 0 H LYS A 31 -1.901 -1.976 4.456 1.00 0.00 H new ATOM 0 HA LYS A 31 0.340 -3.189 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.099 -2.474 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.225 -3.430 3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.261 -4.508 4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.417 -4.314 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.020 -6.059 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.214 -5.405 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.313 -6.272 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.105 -7.231 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.984 -8.108 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.727 -8.512 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.823 -7.281 4.318 1.00 0.00 H new ATOM 437 N SER A 32 2.252 -1.533 5.341 1.00 0.00 N ATOM 438 CA SER A 32 3.244 -0.483 5.500 1.00 0.00 C ATOM 439 C SER A 32 4.341 -0.636 4.445 1.00 0.00 C ATOM 440 O SER A 32 5.382 0.014 4.529 1.00 0.00 O ATOM 441 CB SER A 32 3.850 -0.506 6.905 1.00 0.00 C ATOM 442 OG SER A 32 4.016 0.805 7.436 1.00 0.00 O ATOM 0 H SER A 32 2.634 -2.478 5.308 1.00 0.00 H new ATOM 0 HA SER A 32 2.750 0.479 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.208 -1.087 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.816 -1.010 6.875 1.00 0.00 H new ATOM 0 HG SER A 32 4.404 0.747 8.334 1.00 0.00 H new ATOM 447 N PHE A 33 4.071 -1.498 3.476 1.00 0.00 N ATOM 448 CA PHE A 33 5.022 -1.743 2.406 1.00 0.00 C ATOM 449 C PHE A 33 6.118 -2.711 2.858 1.00 0.00 C ATOM 450 O PHE A 33 6.577 -3.543 2.077 1.00 0.00 O ATOM 451 CB PHE A 33 5.660 -0.397 2.056 1.00 0.00 C ATOM 452 CG PHE A 33 5.914 -0.200 0.560 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.894 0.171 -0.260 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.160 -0.393 0.050 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.130 0.355 -1.648 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.396 -0.209 -1.337 1.00 0.00 C ATOM 457 CZ PHE A 33 6.377 0.160 -2.157 1.00 0.00 C ATOM 0 H PHE A 33 3.207 -2.036 3.410 1.00 0.00 H new ATOM 0 HA PHE A 33 4.513 -2.186 1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.013 0.404 2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.606 -0.305 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.905 0.326 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.970 -0.686 0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.320 0.650 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.386 -0.362 -1.741 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.557 0.299 -3.213 1.00 0.00 H new ATOM 466 N VAL A 34 6.505 -2.570 4.117 1.00 0.00 N ATOM 467 CA VAL A 34 7.537 -3.421 4.683 1.00 0.00 C ATOM 468 C VAL A 34 7.116 -3.865 6.084 1.00 0.00 C ATOM 469 O VAL A 34 7.045 -5.060 6.366 1.00 0.00 O ATOM 470 CB VAL A 34 8.883 -2.692 4.666 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.569 -2.775 6.031 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.790 -3.241 3.563 1.00 0.00 C ATOM 0 H VAL A 34 6.122 -1.878 4.762 1.00 0.00 H new ATOM 0 HA VAL A 34 7.661 -4.321 4.081 1.00 0.00 H new ATOM 0 HB VAL A 34 8.692 -1.641 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.523 -2.249 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.932 -2.315 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.741 -3.820 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.740 -2.706 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.970 -4.302 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.308 -3.106 2.595 1.00 0.00 H new ATOM 482 N ASP A 35 6.848 -2.878 6.928 1.00 0.00 N ATOM 483 CA ASP A 35 6.435 -3.152 8.294 1.00 0.00 C ATOM 484 C ASP A 35 5.503 -4.366 8.306 1.00 0.00 C ATOM 485 O ASP A 35 5.476 -5.123 9.276 1.00 0.00 O ATOM 486 CB ASP A 35 5.674 -1.965 8.887 1.00 0.00 C ATOM 487 CG ASP A 35 5.747 -1.847 10.411 1.00 0.00 C ATOM 488 OD1 ASP A 35 4.737 -2.003 11.114 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.918 -1.578 10.880 1.00 0.00 O ATOM 0 H ASP A 35 6.909 -1.888 6.692 1.00 0.00 H new ATOM 0 HA ASP A 35 7.330 -3.339 8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.063 -1.047 8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.627 -2.040 8.593 1.00 0.00 H new ATOM 494 N ASP A 36 4.763 -4.515 7.218 1.00 0.00 N ATOM 495 CA ASP A 36 3.831 -5.623 7.092 1.00 0.00 C ATOM 496 C ASP A 36 4.406 -6.658 6.122 1.00 0.00 C ATOM 497 O ASP A 36 4.760 -7.765 6.526 1.00 0.00 O ATOM 498 CB ASP A 36 2.486 -5.153 6.538 1.00 0.00 C ATOM 499 CG ASP A 36 1.278 -5.454 7.429 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.702 -4.550 8.051 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.929 -6.695 7.471 1.00 0.00 O ATOM 0 H ASP A 36 4.790 -3.887 6.415 1.00 0.00 H new ATOM 0 HA ASP A 36 3.682 -6.052 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.535 -4.077 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.327 -5.620 5.566 1.00 0.00 H new ATOM 506 N LEU A 37 4.482 -6.261 4.860 1.00 0.00 N ATOM 507 CA LEU A 37 5.007 -7.139 3.829 1.00 0.00 C ATOM 508 C LEU A 37 6.242 -7.865 4.365 1.00 0.00 C ATOM 509 O LEU A 37 6.302 -9.094 4.345 1.00 0.00 O ATOM 510 CB LEU A 37 5.264 -6.358 2.539 1.00 0.00 C ATOM 511 CG LEU A 37 4.021 -5.894 1.777 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.408 -5.143 0.501 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.084 -7.068 1.489 1.00 0.00 C ATOM 0 H LEU A 37 4.188 -5.342 4.528 1.00 0.00 H new ATOM 0 HA LEU A 37 4.274 -7.903 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.865 -5.482 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.862 -6.981 1.874 1.00 0.00 H new ATOM 0 HG LEU A 37 3.475 -5.194 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.506 -4.824 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.005 -4.269 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.989 -5.800 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.209 -6.710 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.606 -7.811 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.768 -7.521 2.429 1.00 0.00 H new ATOM 524 N ASP A 38 7.199 -7.074 4.831 1.00 0.00 N ATOM 525 CA ASP A 38 8.429 -7.626 5.371 1.00 0.00 C ATOM 526 C ASP A 38 9.233 -8.271 4.240 1.00 0.00 C ATOM 527 O ASP A 38 10.189 -9.002 4.493 1.00 0.00 O ATOM 528 CB ASP A 38 8.137 -8.704 6.417 1.00 0.00 C ATOM 529 CG ASP A 38 9.092 -8.720 7.612 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.178 -7.747 8.376 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.778 -9.805 7.747 1.00 0.00 O ATOM 0 H ASP A 38 7.146 -6.055 4.845 1.00 0.00 H new ATOM 0 HA ASP A 38 8.987 -6.814 5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.120 -8.566 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.170 -9.679 5.931 1.00 0.00 H new ATOM 536 N ILE A 39 8.815 -7.978 3.018 1.00 0.00 N ATOM 537 CA ILE A 39 9.484 -8.520 1.848 1.00 0.00 C ATOM 538 C ILE A 39 10.544 -7.527 1.366 1.00 0.00 C ATOM 539 O ILE A 39 11.465 -7.901 0.640 1.00 0.00 O ATOM 540 CB ILE A 39 8.462 -8.898 0.773 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.937 -10.110 -0.032 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.144 -7.702 -0.126 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.331 -9.870 -0.615 1.00 0.00 C ATOM 0 H ILE A 39 8.021 -7.372 2.812 1.00 0.00 H new ATOM 0 HA ILE A 39 10.003 -9.444 2.101 1.00 0.00 H new ATOM 0 HB ILE A 39 7.534 -9.184 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.954 -10.992 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.232 -10.314 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.416 -7.998 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.733 -6.892 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.057 -7.362 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.644 -10.747 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.305 -9.002 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.038 -9.690 0.195 1.00 0.00 H new ATOM 554 N ASP A 40 10.379 -6.283 1.789 1.00 0.00 N ATOM 555 CA ASP A 40 11.310 -5.234 1.410 1.00 0.00 C ATOM 556 C ASP A 40 10.846 -4.594 0.100 1.00 0.00 C ATOM 557 O ASP A 40 9.741 -4.863 -0.368 1.00 0.00 O ATOM 558 CB ASP A 40 12.716 -5.799 1.188 1.00 0.00 C ATOM 559 CG ASP A 40 13.857 -4.817 1.461 1.00 0.00 C ATOM 560 OD1 ASP A 40 15.041 -5.174 1.374 1.00 0.00 O ATOM 561 OD2 ASP A 40 13.485 -3.624 1.783 1.00 0.00 O ATOM 0 H ASP A 40 9.614 -5.977 2.391 1.00 0.00 H new ATOM 0 HA ASP A 40 11.338 -4.501 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.846 -6.671 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.794 -6.146 0.158 1.00 0.00 H new ATOM 566 N SER A 41 11.713 -3.760 -0.454 1.00 0.00 N ATOM 567 CA SER A 41 11.405 -3.079 -1.700 1.00 0.00 C ATOM 568 C SER A 41 11.771 -3.972 -2.888 1.00 0.00 C ATOM 569 O SER A 41 11.613 -3.574 -4.040 1.00 0.00 O ATOM 570 CB SER A 41 12.143 -1.743 -1.794 1.00 0.00 C ATOM 571 OG SER A 41 13.522 -1.915 -2.107 1.00 0.00 O ATOM 0 H SER A 41 12.629 -3.540 -0.063 1.00 0.00 H new ATOM 0 HA SER A 41 10.335 -2.874 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.673 -1.122 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.050 -1.210 -0.848 1.00 0.00 H new ATOM 0 HG SER A 41 13.957 -1.039 -2.160 1.00 0.00 H new ATOM 576 N LEU A 42 12.254 -5.164 -2.565 1.00 0.00 N ATOM 577 CA LEU A 42 12.643 -6.116 -3.591 1.00 0.00 C ATOM 578 C LEU A 42 11.397 -6.579 -4.350 1.00 0.00 C ATOM 579 O LEU A 42 11.228 -6.259 -5.525 1.00 0.00 O ATOM 580 CB LEU A 42 13.451 -7.261 -2.978 1.00 0.00 C ATOM 581 CG LEU A 42 14.875 -7.437 -3.512 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.797 -8.013 -2.435 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.883 -8.285 -4.786 1.00 0.00 C ATOM 0 H LEU A 42 12.384 -5.491 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 42 13.303 -5.644 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.505 -7.106 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.906 -8.191 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 42 15.264 -6.454 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.802 -8.128 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.825 -7.337 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.421 -8.985 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.907 -8.394 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.467 -9.269 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.281 -7.796 -5.552 1.00 0.00 H new ATOM 594 N SER A 43 10.559 -7.326 -3.647 1.00 0.00 N ATOM 595 CA SER A 43 9.335 -7.837 -4.240 1.00 0.00 C ATOM 596 C SER A 43 8.380 -6.681 -4.546 1.00 0.00 C ATOM 597 O SER A 43 7.830 -6.599 -5.643 1.00 0.00 O ATOM 598 CB SER A 43 8.659 -8.854 -3.318 1.00 0.00 C ATOM 599 OG SER A 43 7.546 -9.485 -3.945 1.00 0.00 O ATOM 0 H SER A 43 10.703 -7.590 -2.672 1.00 0.00 H new ATOM 0 HA SER A 43 9.591 -8.345 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.384 -9.611 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.327 -8.354 -2.408 1.00 0.00 H new ATOM 0 HG SER A 43 6.868 -8.812 -4.162 1.00 0.00 H new ATOM 604 N MET A 44 8.212 -5.817 -3.555 1.00 0.00 N ATOM 605 CA MET A 44 7.333 -4.669 -3.705 1.00 0.00 C ATOM 606 C MET A 44 7.605 -3.938 -5.021 1.00 0.00 C ATOM 607 O MET A 44 6.694 -3.364 -5.615 1.00 0.00 O ATOM 608 CB MET A 44 7.545 -3.708 -2.534 1.00 0.00 C ATOM 609 CG MET A 44 6.523 -3.963 -1.424 1.00 0.00 C ATOM 610 SD MET A 44 5.220 -2.744 -1.503 1.00 0.00 S ATOM 611 CE MET A 44 4.775 -2.877 -3.226 1.00 0.00 C ATOM 0 H MET A 44 8.669 -5.889 -2.646 1.00 0.00 H new ATOM 0 HA MET A 44 6.302 -5.023 -3.714 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.554 -3.827 -2.139 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.459 -2.679 -2.883 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.103 -4.964 -1.528 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.012 -3.922 -0.451 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.822 -2.375 -3.396 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.546 -2.409 -3.838 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.685 -3.929 -3.498 1.00 0.00 H new ATOM 619 N VAL A 45 8.862 -3.983 -5.438 1.00 0.00 N ATOM 620 CA VAL A 45 9.265 -3.333 -6.673 1.00 0.00 C ATOM 621 C VAL A 45 8.580 -4.022 -7.854 1.00 0.00 C ATOM 622 O VAL A 45 8.227 -3.371 -8.838 1.00 0.00 O ATOM 623 CB VAL A 45 10.790 -3.326 -6.787 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.232 -3.450 -8.247 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.383 -2.072 -6.140 1.00 0.00 C ATOM 0 H VAL A 45 9.615 -4.460 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 45 8.948 -2.290 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 45 11.170 -4.193 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.321 -3.442 -8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.855 -4.384 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.835 -2.612 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.469 -2.092 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.992 -1.185 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.112 -2.044 -5.085 1.00 0.00 H new ATOM 635 N GLU A 46 8.412 -5.329 -7.720 1.00 0.00 N ATOM 636 CA GLU A 46 7.776 -6.114 -8.764 1.00 0.00 C ATOM 637 C GLU A 46 6.271 -5.833 -8.796 1.00 0.00 C ATOM 638 O GLU A 46 5.730 -5.454 -9.834 1.00 0.00 O ATOM 639 CB GLU A 46 8.050 -7.606 -8.573 1.00 0.00 C ATOM 640 CG GLU A 46 8.782 -8.188 -9.786 1.00 0.00 C ATOM 641 CD GLU A 46 9.729 -9.313 -9.365 1.00 0.00 C ATOM 642 OE1 GLU A 46 9.484 -10.484 -9.692 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.753 -8.936 -8.678 1.00 0.00 O ATOM 0 H GLU A 46 8.706 -5.865 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 46 8.202 -5.820 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.649 -7.758 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.110 -8.136 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.057 -8.568 -10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.346 -7.401 -10.287 1.00 0.00 H new ATOM 649 N ILE A 47 5.640 -6.031 -7.649 1.00 0.00 N ATOM 650 CA ILE A 47 4.209 -5.804 -7.533 1.00 0.00 C ATOM 651 C ILE A 47 3.836 -4.531 -8.295 1.00 0.00 C ATOM 652 O ILE A 47 2.819 -4.492 -8.985 1.00 0.00 O ATOM 653 CB ILE A 47 3.787 -5.787 -6.062 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.698 -7.208 -5.501 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.480 -5.013 -5.875 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.344 -7.292 -4.116 1.00 0.00 C ATOM 0 H ILE A 47 6.093 -6.346 -6.791 1.00 0.00 H new ATOM 0 HA ILE A 47 3.654 -6.624 -7.990 1.00 0.00 H new ATOM 0 HB ILE A 47 4.555 -5.264 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.654 -7.513 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.193 -7.903 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.203 -5.016 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.615 -3.985 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.690 -5.486 -6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.267 -8.312 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.394 -7.009 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.831 -6.614 -3.434 1.00 0.00 H new ATOM 667 N ALA A 48 4.679 -3.520 -8.143 1.00 0.00 N ATOM 668 CA ALA A 48 4.450 -2.249 -8.808 1.00 0.00 C ATOM 669 C ALA A 48 4.789 -2.386 -10.294 1.00 0.00 C ATOM 670 O ALA A 48 4.017 -1.963 -11.153 1.00 0.00 O ATOM 671 CB ALA A 48 5.273 -1.157 -8.121 1.00 0.00 C ATOM 0 H ALA A 48 5.521 -3.556 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 48 3.401 -1.962 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.101 -0.203 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.973 -1.079 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.332 -1.410 -8.177 1.00 0.00 H new ATOM 677 N VAL A 49 5.946 -2.980 -10.551 1.00 0.00 N ATOM 678 CA VAL A 49 6.397 -3.180 -11.918 1.00 0.00 C ATOM 679 C VAL A 49 5.256 -3.775 -12.745 1.00 0.00 C ATOM 680 O VAL A 49 5.210 -3.601 -13.962 1.00 0.00 O ATOM 681 CB VAL A 49 7.659 -4.043 -11.931 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.322 -5.503 -12.245 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.689 -3.495 -12.921 1.00 0.00 C ATOM 0 H VAL A 49 6.584 -3.329 -9.836 1.00 0.00 H new ATOM 0 HA VAL A 49 6.666 -2.228 -12.375 1.00 0.00 H new ATOM 0 HB VAL A 49 8.099 -4.006 -10.934 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.237 -6.095 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.642 -5.891 -11.487 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.847 -5.564 -13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.577 -4.128 -12.910 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.261 -3.487 -13.924 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.964 -2.480 -12.635 1.00 0.00 H new ATOM 693 N GLN A 50 4.362 -4.466 -12.051 1.00 0.00 N ATOM 694 CA GLN A 50 3.225 -5.087 -12.707 1.00 0.00 C ATOM 695 C GLN A 50 2.045 -4.114 -12.760 1.00 0.00 C ATOM 696 O GLN A 50 1.577 -3.759 -13.840 1.00 0.00 O ATOM 697 CB GLN A 50 2.831 -6.389 -12.005 1.00 0.00 C ATOM 698 CG GLN A 50 4.005 -7.369 -11.970 1.00 0.00 C ATOM 699 CD GLN A 50 3.550 -8.753 -11.501 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.929 -9.057 -10.263 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.897 -9.496 -12.216 1.00 0.00 N flip ATOM 0 H GLN A 50 4.403 -4.609 -11.042 1.00 0.00 H new ATOM 0 HA GLN A 50 3.511 -5.335 -13.729 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.502 -6.173 -10.988 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.987 -6.845 -12.523 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.449 -7.445 -12.962 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.779 -6.991 -11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.639 -9.201 -13.158 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.609 -10.412 -11.872 1.00 0.00 H new ATOM 708 N THR A 51 1.599 -3.711 -11.579 1.00 0.00 N ATOM 709 CA THR A 51 0.483 -2.787 -11.477 1.00 0.00 C ATOM 710 C THR A 51 0.733 -1.551 -12.345 1.00 0.00 C ATOM 711 O THR A 51 -0.193 -1.019 -12.955 1.00 0.00 O ATOM 712 CB THR A 51 0.275 -2.458 -9.998 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.586 -3.494 -9.530 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.536 -1.178 -9.790 1.00 0.00 C ATOM 0 H THR A 51 1.990 -4.008 -10.685 1.00 0.00 H new ATOM 0 HA THR A 51 -0.436 -3.233 -11.858 1.00 0.00 H new ATOM 0 HB THR A 51 1.244 -2.356 -9.510 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.212 -3.886 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.654 -0.991 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.015 -0.338 -10.250 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.518 -1.291 -10.249 1.00 0.00 H new ATOM 722 N GLU A 52 1.989 -1.131 -12.371 1.00 0.00 N ATOM 723 CA GLU A 52 2.373 0.032 -13.154 1.00 0.00 C ATOM 724 C GLU A 52 2.422 -0.322 -14.640 1.00 0.00 C ATOM 725 O GLU A 52 2.696 0.537 -15.478 1.00 0.00 O ATOM 726 CB GLU A 52 3.714 0.594 -12.679 1.00 0.00 C ATOM 727 CG GLU A 52 3.533 1.475 -11.441 1.00 0.00 C ATOM 728 CD GLU A 52 4.838 1.588 -10.652 1.00 0.00 C ATOM 729 OE1 GLU A 52 4.911 1.126 -9.504 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.802 2.182 -11.273 1.00 0.00 O ATOM 0 H GLU A 52 2.754 -1.575 -11.863 1.00 0.00 H new ATOM 0 HA GLU A 52 1.621 0.807 -13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.395 -0.226 -12.450 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.173 1.175 -13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.199 2.468 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.754 1.057 -10.804 1.00 0.00 H new ATOM 736 N ASP A 53 2.152 -1.587 -14.925 1.00 0.00 N ATOM 737 CA ASP A 53 2.163 -2.066 -16.296 1.00 0.00 C ATOM 738 C ASP A 53 0.765 -2.566 -16.669 1.00 0.00 C ATOM 739 O ASP A 53 0.122 -2.016 -17.562 1.00 0.00 O ATOM 740 CB ASP A 53 3.142 -3.229 -16.468 1.00 0.00 C ATOM 741 CG ASP A 53 4.085 -3.109 -17.666 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.272 -2.786 -17.515 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.547 -3.365 -18.811 1.00 0.00 O ATOM 0 H ASP A 53 1.924 -2.296 -14.228 1.00 0.00 H new ATOM 0 HA ASP A 53 2.470 -1.240 -16.938 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.740 -3.317 -15.561 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.572 -4.153 -16.565 1.00 0.00 H new ATOM 748 N LYS A 54 0.336 -3.602 -15.965 1.00 0.00 N ATOM 749 CA LYS A 54 -0.974 -4.182 -16.210 1.00 0.00 C ATOM 750 C LYS A 54 -2.008 -3.063 -16.339 1.00 0.00 C ATOM 751 O LYS A 54 -2.888 -3.120 -17.196 1.00 0.00 O ATOM 752 CB LYS A 54 -1.315 -5.211 -15.129 1.00 0.00 C ATOM 753 CG LYS A 54 -0.885 -6.617 -15.555 1.00 0.00 C ATOM 754 CD LYS A 54 -0.954 -7.592 -14.379 1.00 0.00 C ATOM 755 CE LYS A 54 -2.176 -8.506 -14.495 1.00 0.00 C ATOM 756 NZ LYS A 54 -2.123 -9.575 -13.473 1.00 0.00 N ATOM 0 H LYS A 54 0.872 -4.055 -15.225 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.977 -4.729 -17.153 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.819 -4.942 -14.196 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.387 -5.198 -14.935 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.528 -6.969 -16.362 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.131 -6.587 -15.948 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.046 -8.195 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.999 -7.036 -13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.088 -7.921 -14.371 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.214 -8.948 -15.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.960 -10.186 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.263 -10.143 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.110 -9.148 -12.525 1.00 0.00 H new ATOM 765 N TYR A 55 -1.866 -2.068 -15.475 1.00 0.00 N ATOM 766 CA TYR A 55 -2.778 -0.936 -15.481 1.00 0.00 C ATOM 767 C TYR A 55 -2.110 0.300 -16.089 1.00 0.00 C ATOM 768 O TYR A 55 -2.738 1.042 -16.842 1.00 0.00 O ATOM 769 CB TYR A 55 -3.110 -0.652 -14.015 1.00 0.00 C ATOM 770 CG TYR A 55 -4.490 -1.149 -13.583 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.026 -2.284 -14.156 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.201 -0.462 -12.620 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.326 -2.752 -13.750 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.501 -0.930 -12.213 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.999 -2.052 -12.798 1.00 0.00 C ATOM 776 OH TYR A 55 -8.226 -2.493 -12.414 1.00 0.00 O ATOM 0 H TYR A 55 -1.134 -2.022 -14.767 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.665 -1.161 -16.073 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.353 -1.119 -13.385 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.051 0.422 -13.841 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.470 -2.822 -14.910 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.782 0.427 -12.171 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.757 -3.639 -14.191 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.067 -0.402 -11.460 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.268 -3.468 -12.508 1.00 0.00 H new ATOM 785 N GLY A 56 -0.846 0.484 -15.737 1.00 0.00 N ATOM 786 CA GLY A 56 -0.087 1.618 -16.238 1.00 0.00 C ATOM 787 C GLY A 56 0.000 2.727 -15.188 1.00 0.00 C ATOM 788 O GLY A 56 0.529 3.803 -15.458 1.00 0.00 O ATOM 0 H GLY A 56 -0.328 -0.133 -15.111 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.917 1.295 -16.515 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.558 2.004 -17.142 1.00 0.00 H new ATOM 792 N VAL A 57 -0.530 2.426 -14.011 1.00 0.00 N ATOM 793 CA VAL A 57 -0.519 3.385 -12.918 1.00 0.00 C ATOM 794 C VAL A 57 0.831 4.104 -12.891 1.00 0.00 C ATOM 795 O VAL A 57 1.851 3.530 -13.265 1.00 0.00 O ATOM 796 CB VAL A 57 -0.849 2.680 -11.601 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.169 1.915 -11.704 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.291 1.751 -11.176 1.00 0.00 C ATOM 0 H VAL A 57 -0.970 1.532 -13.790 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.288 4.143 -13.066 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.964 3.444 -10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.380 1.423 -10.754 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.975 2.610 -11.939 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.095 1.166 -12.492 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.031 1.262 -10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.451 0.996 -11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.203 2.332 -11.042 1.00 0.00 H new ATOM 808 N LYS A 58 0.791 5.351 -12.442 1.00 0.00 N ATOM 809 CA LYS A 58 1.998 6.155 -12.361 1.00 0.00 C ATOM 810 C LYS A 58 2.517 6.142 -10.922 1.00 0.00 C ATOM 811 O LYS A 58 1.960 6.808 -10.051 1.00 0.00 O ATOM 812 CB LYS A 58 1.745 7.560 -12.911 1.00 0.00 C ATOM 813 CG LYS A 58 0.872 8.373 -11.954 1.00 0.00 C ATOM 814 CD LYS A 58 -0.115 9.254 -12.725 1.00 0.00 C ATOM 815 CE LYS A 58 -1.469 8.560 -12.875 1.00 0.00 C ATOM 816 NZ LYS A 58 -2.005 8.756 -14.240 1.00 0.00 N ATOM 0 H LYS A 58 -0.058 5.823 -12.131 1.00 0.00 H new ATOM 0 HA LYS A 58 2.782 5.730 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.695 8.071 -13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.258 7.492 -13.884 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.325 7.700 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.503 8.996 -11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.245 10.203 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.291 9.484 -13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.363 7.495 -12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.171 8.958 -12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.925 8.278 -14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.125 9.773 -14.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.342 8.355 -14.934 1.00 0.00 H new ATOM 825 N ILE A 59 3.580 5.377 -10.717 1.00 0.00 N ATOM 826 CA ILE A 59 4.181 5.269 -9.398 1.00 0.00 C ATOM 827 C ILE A 59 5.669 4.947 -9.546 1.00 0.00 C ATOM 828 O ILE A 59 6.096 3.825 -9.276 1.00 0.00 O ATOM 829 CB ILE A 59 3.415 4.258 -8.541 1.00 0.00 C ATOM 830 CG1 ILE A 59 1.940 4.648 -8.421 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.077 4.087 -7.172 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.224 3.768 -7.395 1.00 0.00 C ATOM 0 H ILE A 59 4.040 4.826 -11.442 1.00 0.00 H new ATOM 0 HA ILE A 59 4.111 6.219 -8.868 1.00 0.00 H new ATOM 0 HB ILE A 59 3.452 3.289 -9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.859 5.695 -8.128 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.454 4.551 -9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.513 3.364 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.099 3.730 -7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.092 5.045 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.177 4.065 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.286 2.725 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.698 3.886 -6.420 1.00 0.00 H new ATOM 843 N PRO A 60 6.439 5.978 -9.984 1.00 0.00 N ATOM 844 CA PRO A 60 7.871 5.817 -10.171 1.00 0.00 C ATOM 845 C PRO A 60 8.601 5.799 -8.826 1.00 0.00 C ATOM 846 O PRO A 60 8.008 6.097 -7.790 1.00 0.00 O ATOM 847 CB PRO A 60 8.287 6.981 -11.057 1.00 0.00 C ATOM 848 CG PRO A 60 7.168 8.005 -10.951 1.00 0.00 C ATOM 849 CD PRO A 60 5.969 7.321 -10.314 1.00 0.00 C ATOM 0 HA PRO A 60 8.129 4.867 -10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.236 7.404 -10.727 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.424 6.657 -12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.486 8.857 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.908 8.390 -11.937 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.636 7.854 -9.423 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.122 7.287 -11.000 1.00 0.00 H new ATOM 854 N ASP A 61 9.877 5.447 -8.886 1.00 0.00 N ATOM 855 CA ASP A 61 10.693 5.386 -7.685 1.00 0.00 C ATOM 856 C ASP A 61 10.663 6.746 -6.985 1.00 0.00 C ATOM 857 O ASP A 61 10.580 6.814 -5.759 1.00 0.00 O ATOM 858 CB ASP A 61 12.149 5.062 -8.026 1.00 0.00 C ATOM 859 CG ASP A 61 12.586 3.633 -7.700 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.857 2.825 -8.602 1.00 0.00 O ATOM 861 OD2 ASP A 61 12.647 3.355 -6.441 1.00 0.00 O ATOM 0 H ASP A 61 10.366 5.201 -9.747 1.00 0.00 H new ATOM 0 HA ASP A 61 10.290 4.604 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.306 5.240 -9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.795 5.755 -7.488 1.00 0.00 H new ATOM 866 N GLU A 62 10.733 7.794 -7.791 1.00 0.00 N ATOM 867 CA GLU A 62 10.715 9.147 -7.264 1.00 0.00 C ATOM 868 C GLU A 62 9.537 9.327 -6.303 1.00 0.00 C ATOM 869 O GLU A 62 9.552 10.220 -5.458 1.00 0.00 O ATOM 870 CB GLU A 62 10.661 10.176 -8.395 1.00 0.00 C ATOM 871 CG GLU A 62 10.964 11.581 -7.872 1.00 0.00 C ATOM 872 CD GLU A 62 11.727 12.401 -8.915 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.228 12.601 -10.032 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.877 12.839 -8.529 1.00 0.00 O ATOM 0 H GLU A 62 10.802 7.733 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 62 11.639 9.312 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.381 9.909 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.674 10.161 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.033 12.087 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.551 11.513 -6.956 1.00 0.00 H new ATOM 880 N ASP A 63 8.546 8.463 -6.464 1.00 0.00 N ATOM 881 CA ASP A 63 7.363 8.514 -5.622 1.00 0.00 C ATOM 882 C ASP A 63 7.313 7.262 -4.745 1.00 0.00 C ATOM 883 O ASP A 63 6.850 7.316 -3.606 1.00 0.00 O ATOM 884 CB ASP A 63 6.088 8.552 -6.466 1.00 0.00 C ATOM 885 CG ASP A 63 5.292 9.856 -6.377 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.753 10.846 -5.788 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.138 9.831 -6.952 1.00 0.00 O ATOM 0 H ASP A 63 8.538 7.723 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 63 7.420 9.417 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.355 8.377 -7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.443 7.728 -6.160 1.00 0.00 H new ATOM 892 N LEU A 64 7.794 6.164 -5.307 1.00 0.00 N ATOM 893 CA LEU A 64 7.810 4.900 -4.591 1.00 0.00 C ATOM 894 C LEU A 64 8.616 5.060 -3.300 1.00 0.00 C ATOM 895 O LEU A 64 8.505 4.241 -2.389 1.00 0.00 O ATOM 896 CB LEU A 64 8.316 3.775 -5.496 1.00 0.00 C ATOM 897 CG LEU A 64 7.811 2.369 -5.167 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.448 1.846 -3.879 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.283 2.337 -5.105 1.00 0.00 C ATOM 0 H LEU A 64 8.176 6.123 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 64 6.798 4.614 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.036 4.009 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.405 3.766 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 64 8.115 1.699 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.072 0.845 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.531 1.810 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.196 2.510 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.949 1.326 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.936 3.023 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.873 2.639 -6.069 1.00 0.00 H new ATOM 910 N ALA A 65 9.409 6.121 -3.263 1.00 0.00 N ATOM 911 CA ALA A 65 10.234 6.399 -2.099 1.00 0.00 C ATOM 912 C ALA A 65 9.353 6.946 -0.975 1.00 0.00 C ATOM 913 O ALA A 65 9.566 6.630 0.195 1.00 0.00 O ATOM 914 CB ALA A 65 11.353 7.367 -2.487 1.00 0.00 C ATOM 0 H ALA A 65 9.498 6.799 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 65 10.705 5.486 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.972 7.576 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.967 6.919 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.919 8.297 -2.855 1.00 0.00 H new ATOM 920 N GLY A 66 8.381 7.757 -1.369 1.00 0.00 N ATOM 921 CA GLY A 66 7.467 8.350 -0.407 1.00 0.00 C ATOM 922 C GLY A 66 6.428 7.331 0.064 1.00 0.00 C ATOM 923 O GLY A 66 6.172 7.207 1.260 1.00 0.00 O ATOM 0 H GLY A 66 8.207 8.017 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.028 8.725 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.964 9.205 -0.858 1.00 0.00 H new ATOM 927 N LEU A 67 5.858 6.625 -0.903 1.00 0.00 N ATOM 928 CA LEU A 67 4.852 5.621 -0.602 1.00 0.00 C ATOM 929 C LEU A 67 5.264 4.855 0.658 1.00 0.00 C ATOM 930 O LEU A 67 6.351 4.284 0.713 1.00 0.00 O ATOM 931 CB LEU A 67 4.613 4.722 -1.817 1.00 0.00 C ATOM 932 CG LEU A 67 4.082 5.418 -3.072 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.568 4.397 -4.089 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.016 6.455 -2.713 1.00 0.00 C ATOM 0 H LEU A 67 6.074 6.729 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 67 3.893 6.093 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.551 4.228 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.908 3.941 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 67 4.907 5.953 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.196 4.918 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.380 3.730 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.761 3.815 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.655 6.935 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.185 5.963 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.448 7.207 -2.052 1.00 0.00 H new ATOM 945 N ARG A 68 4.372 4.868 1.637 1.00 0.00 N ATOM 946 CA ARG A 68 4.629 4.183 2.892 1.00 0.00 C ATOM 947 C ARG A 68 3.627 3.042 3.088 1.00 0.00 C ATOM 948 O ARG A 68 3.991 1.967 3.562 1.00 0.00 O ATOM 949 CB ARG A 68 4.531 5.146 4.077 1.00 0.00 C ATOM 950 CG ARG A 68 5.898 5.353 4.730 1.00 0.00 C ATOM 951 CD ARG A 68 5.797 5.267 6.253 1.00 0.00 C ATOM 952 NE ARG A 68 6.852 4.373 6.782 1.00 0.00 N ATOM 953 CZ ARG A 68 7.079 4.164 8.096 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.325 4.784 9.028 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.048 3.343 8.455 1.00 0.00 N ATOM 0 H ARG A 68 3.470 5.342 1.587 1.00 0.00 H new ATOM 0 HA ARG A 68 5.641 3.781 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.136 6.104 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.829 4.753 4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.597 4.600 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.299 6.325 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.899 6.261 6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.814 4.893 6.540 1.00 0.00 H new ATOM 0 HE ARG A 68 7.445 3.884 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.577 5.416 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.503 4.621 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.612 2.878 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.233 3.174 9.444 1.00 0.00 H new ATOM 964 N THR A 69 2.386 3.316 2.713 1.00 0.00 N ATOM 965 CA THR A 69 1.330 2.326 2.840 1.00 0.00 C ATOM 966 C THR A 69 0.461 2.307 1.582 1.00 0.00 C ATOM 967 O THR A 69 0.565 3.197 0.739 1.00 0.00 O ATOM 968 CB THR A 69 0.546 2.634 4.118 1.00 0.00 C ATOM 969 OG1 THR A 69 0.115 3.981 3.943 1.00 0.00 O ATOM 970 CG2 THR A 69 1.442 2.687 5.357 1.00 0.00 C ATOM 0 H THR A 69 2.088 4.209 2.321 1.00 0.00 H new ATOM 0 HA THR A 69 1.739 1.319 2.927 1.00 0.00 H new ATOM 0 HB THR A 69 -0.226 1.878 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.403 4.263 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.836 2.909 6.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.936 1.724 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.194 3.466 5.229 1.00 0.00 H new ATOM 978 N VAL A 70 -0.379 1.286 1.496 1.00 0.00 N ATOM 979 CA VAL A 70 -1.266 1.140 0.356 1.00 0.00 C ATOM 980 C VAL A 70 -1.991 2.464 0.107 1.00 0.00 C ATOM 981 O VAL A 70 -2.054 2.939 -1.026 1.00 0.00 O ATOM 982 CB VAL A 70 -2.223 -0.033 0.582 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.980 -0.378 -0.701 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.475 -1.253 1.124 1.00 0.00 C ATOM 0 H VAL A 70 -0.464 0.551 2.199 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.696 0.907 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.955 0.270 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.653 -1.215 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.558 0.487 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.269 -0.653 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.177 -2.073 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.711 -1.558 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.003 -0.999 2.073 1.00 0.00 H new ATOM 994 N GLY A 71 -2.522 3.022 1.185 1.00 0.00 N ATOM 995 CA GLY A 71 -3.240 4.283 1.099 1.00 0.00 C ATOM 996 C GLY A 71 -2.396 5.349 0.399 1.00 0.00 C ATOM 997 O GLY A 71 -2.924 6.175 -0.344 1.00 0.00 O ATOM 0 H GLY A 71 -2.470 2.624 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.173 4.138 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.505 4.624 2.100 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.098 5.295 0.659 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.175 6.246 0.062 1.00 0.00 C ATOM 1003 C ASP A 72 0.172 5.792 -1.358 1.00 0.00 C ATOM 1004 O ASP A 72 0.409 6.619 -2.237 1.00 0.00 O ATOM 1005 CB ASP A 72 1.126 6.327 0.863 1.00 0.00 C ATOM 1006 CG ASP A 72 1.791 7.705 0.879 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.168 8.719 0.530 1.00 0.00 O ATOM 1008 OD2 ASP A 72 3.018 7.713 1.276 1.00 0.00 O ATOM 0 H ASP A 72 -0.663 4.608 1.275 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.656 7.224 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.922 6.027 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.832 5.604 0.454 1.00 0.00 H new ATOM 1013 N VAL A 73 0.189 4.480 -1.537 1.00 0.00 N ATOM 1014 CA VAL A 73 0.501 3.906 -2.835 1.00 0.00 C ATOM 1015 C VAL A 73 -0.723 4.019 -3.746 1.00 0.00 C ATOM 1016 O VAL A 73 -0.618 3.835 -4.958 1.00 0.00 O ATOM 1017 CB VAL A 73 0.991 2.467 -2.667 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.492 1.899 -3.996 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.076 2.379 -1.591 1.00 0.00 C ATOM 0 H VAL A 73 -0.008 3.798 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 73 1.312 4.457 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 73 0.145 1.862 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.834 0.875 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.681 1.909 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.318 2.508 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.407 1.345 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.922 3.005 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.673 2.724 -0.639 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.856 4.319 -3.128 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.098 4.458 -3.868 1.00 0.00 C ATOM 1031 C VAL A 74 -3.331 5.934 -4.193 1.00 0.00 C ATOM 1032 O VAL A 74 -3.546 6.292 -5.350 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.249 3.831 -3.079 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.575 3.986 -3.827 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.964 2.360 -2.767 1.00 0.00 C ATOM 0 H VAL A 74 -1.939 4.470 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.040 3.922 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.334 4.363 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.377 3.532 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.788 5.045 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.506 3.492 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.798 1.939 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.838 1.808 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.052 2.284 -2.174 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.280 6.752 -3.152 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.482 8.182 -3.313 1.00 0.00 C ATOM 1047 C ALA A 75 -2.609 8.690 -4.463 1.00 0.00 C ATOM 1048 O ALA A 75 -3.118 9.253 -5.431 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.178 8.893 -1.993 1.00 0.00 C ATOM 0 H ALA A 75 -3.102 6.452 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.520 8.396 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.330 9.966 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.844 8.518 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.143 8.703 -1.707 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.310 8.473 -4.317 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.362 8.902 -5.332 1.00 0.00 C ATOM 1057 C TYR A 76 -0.904 8.635 -6.737 1.00 0.00 C ATOM 1058 O TYR A 76 -0.581 9.358 -7.679 1.00 0.00 O ATOM 1059 CB TYR A 76 0.897 8.060 -5.115 1.00 0.00 C ATOM 1060 CG TYR A 76 1.993 8.773 -4.320 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.653 9.640 -3.301 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.321 8.547 -4.621 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.685 10.310 -2.553 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.352 9.218 -3.872 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.983 10.066 -2.875 1.00 0.00 C ATOM 1066 OH TYR A 76 4.957 10.699 -2.168 1.00 0.00 O ATOM 0 H TYR A 76 -0.892 8.006 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.169 9.972 -5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.623 7.143 -4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.298 7.768 -6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.614 9.816 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.587 7.868 -5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.433 10.991 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.395 9.051 -4.097 1.00 0.00 H new ATOM 0 HH TYR A 76 5.836 10.428 -2.507 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.719 7.594 -6.835 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.310 7.223 -8.110 1.00 0.00 C ATOM 1077 C ILE A 77 -3.447 8.192 -8.441 1.00 0.00 C ATOM 1078 O ILE A 77 -3.277 9.100 -9.255 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.738 5.754 -8.094 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.644 4.871 -7.491 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.146 5.288 -9.492 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -2.067 3.400 -7.485 1.00 0.00 C ATOM 0 H ILE A 77 -1.984 6.996 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.575 7.308 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.616 5.660 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.723 4.986 -8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.430 5.196 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.446 4.241 -9.453 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.981 5.892 -9.847 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.302 5.399 -10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.271 2.794 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.975 3.285 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.257 3.072 -8.507 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.581 7.965 -7.796 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.746 8.807 -8.013 1.00 0.00 C ATOM 1095 C GLN A 78 -5.385 10.279 -7.802 1.00 0.00 C ATOM 1096 O GLN A 78 -5.638 11.114 -8.668 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.902 8.389 -7.101 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.308 6.937 -7.361 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.904 6.301 -6.103 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.173 6.958 -5.111 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.097 4.989 -6.200 1.00 0.00 N ATOM 0 H GLN A 78 -4.719 7.211 -7.123 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.075 8.679 -9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.608 8.507 -6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.757 9.045 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.035 6.899 -8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.439 6.365 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.850 4.499 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.492 4.472 -5.414 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.800 10.551 -6.644 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.401 11.906 -6.307 1.00 0.00 C ATOM 1110 C LYS A 79 -3.879 12.607 -7.563 1.00 0.00 C ATOM 1111 O LYS A 79 -4.152 13.786 -7.781 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.404 11.899 -5.147 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.028 11.291 -3.890 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.003 12.270 -3.233 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.253 13.433 -2.580 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.291 14.629 -3.452 1.00 0.00 N ATOM 0 H LYS A 79 -4.593 9.855 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.259 12.479 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.518 11.331 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.077 12.918 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.551 10.370 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.243 11.024 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.698 12.654 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.598 11.749 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.701 13.666 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.219 13.146 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.362 15.096 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.524 14.343 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.014 15.290 -3.103 1.00 0.00 H new