USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1101 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= 0.716 K(o=1.1,f=-7.9!) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -157:sc= 0.427 (180deg=-0.306) USER MOD Single : A 5 LYS NZ :NH3+ -108:sc= -0.0999 (180deg=-2.92!) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0512) USER MOD Single : A 14 GLN : amide:sc= -3.02! K(o=-3!,f=-0.49) USER MOD Single : A 20 ASN : amide:sc=-0.00282 X(o=-0.0028,f=0) USER MOD Single : A 22 THR OG1 : rot -119:sc= 0.169 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0107 K(o=-0.011,f=-4.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -72:sc= 0.756 USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 0.163 (180deg=-0.174) USER MOD Single : A 57 THR OG1 : rot -120:sc= -0.208 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 MET CE :methyl -162:sc= -0.11 (180deg=-0.508) USER MOD Single : B 5 LYS NZ :NH3+ -161:sc= 0.822 (180deg=0.636) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -0.968 K(o=-0.97,f=-0.36) USER MOD Single : B 20 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 22 THR OG1 : rot -27:sc= 0.545 USER MOD Single : B 26 THR OG1 : rot -170:sc= -0.0726 USER MOD Single : B 27 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.15) USER MOD Single : B 28 LYS NZ :NH3+ 175:sc=-0.00746 (180deg=-0.0582) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 31 LYS NZ :NH3+ 128:sc= 0.739 (180deg=0.133) USER MOD Single : B 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0066) USER MOD Single : B 34 THR OG1 : rot -67:sc= -0.585! USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ 168:sc= -0.0198 (180deg=-0.174) USER MOD Single : B 54 LYS NZ :NH3+ -111:sc= 0.345 (180deg=-0.259) USER MOD Single : B 57 THR OG1 : rot 180:sc= -0.237 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ -178:sc= 0.217 (180deg=0.198) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 4 6.887 11.576 2.560 1.00 62.33 N ATOM 60 CA LEU A 4 5.834 10.611 2.979 1.00 70.24 C ATOM 61 C LEU A 4 6.235 9.119 2.766 1.00 4.44 C ATOM 62 O LEU A 4 5.607 8.226 3.337 1.00 73.12 O ATOM 63 CB LEU A 4 4.473 10.971 2.296 1.00 72.33 C ATOM 64 CG LEU A 4 4.502 11.368 0.777 1.00 10.14 C ATOM 65 CD1 LEU A 4 4.987 10.221 -0.141 1.00 45.02 C ATOM 66 CD2 LEU A 4 3.123 11.917 0.329 1.00 33.11 C ATOM 0 HA LEU A 4 5.714 10.710 4.058 1.00 70.24 H new ATOM 0 HB2 LEU A 4 3.806 10.116 2.407 1.00 72.33 H new ATOM 0 HB3 LEU A 4 4.028 11.797 2.850 1.00 72.33 H new ATOM 0 HG LEU A 4 5.240 12.163 0.671 1.00 10.14 H new ATOM 0 HD11 LEU A 4 4.984 10.559 -1.177 1.00 45.02 H new ATOM 0 HD12 LEU A 4 5.998 9.930 0.143 1.00 45.02 H new ATOM 0 HD13 LEU A 4 4.321 9.365 -0.037 1.00 45.02 H new ATOM 0 HD21 LEU A 4 3.164 12.186 -0.726 1.00 33.11 H new ATOM 0 HD22 LEU A 4 2.361 11.152 0.479 1.00 33.11 H new ATOM 0 HD23 LEU A 4 2.873 12.799 0.919 1.00 33.11 H new ATOM 78 N LYS A 5 7.265 8.876 1.931 1.00 33.13 N ATOM 79 CA LYS A 5 7.916 7.547 1.801 1.00 3.14 C ATOM 80 C LYS A 5 8.605 7.129 3.126 1.00 53.02 C ATOM 81 O LYS A 5 8.469 5.998 3.586 1.00 21.24 O ATOM 82 CB LYS A 5 8.987 7.570 0.683 1.00 12.22 C ATOM 83 CG LYS A 5 8.457 7.629 -0.766 1.00 21.13 C ATOM 84 CD LYS A 5 9.620 7.651 -1.795 1.00 71.51 C ATOM 85 CE LYS A 5 10.594 6.455 -1.633 1.00 3.43 C ATOM 86 NZ LYS A 5 11.863 6.641 -2.376 1.00 33.41 N ATOM 0 H LYS A 5 7.672 9.590 1.327 1.00 33.13 H new ATOM 0 HA LYS A 5 7.134 6.829 1.554 1.00 3.14 H new ATOM 0 HB2 LYS A 5 9.635 8.431 0.846 1.00 12.22 H new ATOM 0 HB3 LYS A 5 9.608 6.680 0.785 1.00 12.22 H new ATOM 0 HG2 LYS A 5 7.817 6.767 -0.956 1.00 21.13 H new ATOM 0 HG3 LYS A 5 7.840 8.518 -0.893 1.00 21.13 H new ATOM 0 HD2 LYS A 5 9.206 7.642 -2.803 1.00 71.51 H new ATOM 0 HD3 LYS A 5 10.176 8.582 -1.687 1.00 71.51 H new ATOM 0 HE2 LYS A 5 10.815 6.314 -0.575 1.00 3.43 H new ATOM 0 HE3 LYS A 5 10.105 5.545 -1.981 1.00 3.43 H new ATOM 0 HZ1 LYS A 5 11.879 6.006 -3.199 1.00 33.41 H new ATOM 0 HZ2 LYS A 5 11.936 7.627 -2.698 1.00 33.41 H new ATOM 0 HZ3 LYS A 5 12.666 6.420 -1.753 1.00 33.41 H new ATOM 100 N GLU A 6 9.367 8.073 3.693 1.00 40.03 N ATOM 101 CA GLU A 6 10.127 7.888 4.951 1.00 34.43 C ATOM 102 C GLU A 6 9.182 7.880 6.176 1.00 63.31 C ATOM 103 O GLU A 6 9.471 7.245 7.193 1.00 60.20 O ATOM 104 CB GLU A 6 11.160 9.030 5.062 1.00 11.33 C ATOM 105 CG GLU A 6 12.161 9.089 3.888 1.00 61.12 C ATOM 106 CD GLU A 6 12.885 10.439 3.783 1.00 41.10 C ATOM 107 OE1 GLU A 6 13.727 10.751 4.654 1.00 53.10 O ATOM 108 OE2 GLU A 6 12.607 11.200 2.836 1.00 14.00 O ATOM 0 H GLU A 6 9.479 9.003 3.290 1.00 40.03 H new ATOM 0 HA GLU A 6 10.637 6.925 4.935 1.00 34.43 H new ATOM 0 HB2 GLU A 6 10.630 9.981 5.122 1.00 11.33 H new ATOM 0 HB3 GLU A 6 11.715 8.915 5.993 1.00 11.33 H new ATOM 0 HG2 GLU A 6 12.899 8.296 4.007 1.00 61.12 H new ATOM 0 HG3 GLU A 6 11.631 8.894 2.956 1.00 61.12 H new ATOM 115 N LYS A 7 8.058 8.609 6.057 1.00 14.53 N ATOM 116 CA LYS A 7 6.950 8.571 7.037 1.00 22.44 C ATOM 117 C LYS A 7 6.267 7.177 7.009 1.00 65.21 C ATOM 118 O LYS A 7 5.976 6.598 8.058 1.00 54.10 O ATOM 119 CB LYS A 7 5.956 9.735 6.730 1.00 23.25 C ATOM 120 CG LYS A 7 4.735 9.894 7.686 1.00 61.31 C ATOM 121 CD LYS A 7 3.481 9.082 7.260 1.00 42.13 C ATOM 122 CE LYS A 7 2.910 9.518 5.895 1.00 43.34 C ATOM 123 NZ LYS A 7 2.505 10.953 5.887 1.00 11.34 N ATOM 0 H LYS A 7 7.889 9.244 5.277 1.00 14.53 H new ATOM 0 HA LYS A 7 7.328 8.717 8.049 1.00 22.44 H new ATOM 0 HB2 LYS A 7 6.516 10.670 6.738 1.00 23.25 H new ATOM 0 HB3 LYS A 7 5.578 9.599 5.717 1.00 23.25 H new ATOM 0 HG2 LYS A 7 5.030 9.585 8.689 1.00 61.31 H new ATOM 0 HG3 LYS A 7 4.468 10.949 7.743 1.00 61.31 H new ATOM 0 HD2 LYS A 7 3.738 8.024 7.218 1.00 42.13 H new ATOM 0 HD3 LYS A 7 2.709 9.192 8.021 1.00 42.13 H new ATOM 0 HE2 LYS A 7 3.657 9.349 5.120 1.00 43.34 H new ATOM 0 HE3 LYS A 7 2.048 8.898 5.648 1.00 43.34 H new ATOM 0 HZ1 LYS A 7 2.035 11.176 4.987 1.00 11.34 H new ATOM 0 HZ2 LYS A 7 1.849 11.133 6.674 1.00 11.34 H new ATOM 0 HZ3 LYS A 7 3.348 11.552 5.995 1.00 11.34 H new ATOM 137 N ALA A 8 6.034 6.655 5.784 1.00 15.21 N ATOM 138 CA ALA A 8 5.563 5.259 5.560 1.00 14.11 C ATOM 139 C ALA A 8 6.596 4.226 6.078 1.00 73.51 C ATOM 140 O ALA A 8 6.230 3.135 6.513 1.00 35.51 O ATOM 141 CB ALA A 8 5.281 5.022 4.063 1.00 50.12 C ATOM 0 H ALA A 8 6.165 7.183 4.921 1.00 15.21 H new ATOM 0 HA ALA A 8 4.639 5.124 6.122 1.00 14.11 H new ATOM 0 HB1 ALA A 8 4.938 3.998 3.915 1.00 50.12 H new ATOM 0 HB2 ALA A 8 4.511 5.715 3.724 1.00 50.12 H new ATOM 0 HB3 ALA A 8 6.194 5.185 3.491 1.00 50.12 H new ATOM 147 N GLY A 9 7.890 4.605 6.011 1.00 34.45 N ATOM 148 CA GLY A 9 8.991 3.813 6.575 1.00 21.43 C ATOM 149 C GLY A 9 9.022 3.817 8.114 1.00 25.02 C ATOM 150 O GLY A 9 9.440 2.834 8.740 1.00 43.01 O ATOM 0 H GLY A 9 8.195 5.469 5.563 1.00 34.45 H new ATOM 0 HA2 GLY A 9 8.906 2.785 6.224 1.00 21.43 H new ATOM 0 HA3 GLY A 9 9.938 4.201 6.199 1.00 21.43 H new ATOM 154 N ALA A 10 8.586 4.938 8.723 1.00 44.00 N ATOM 155 CA ALA A 10 8.444 5.062 10.193 1.00 13.24 C ATOM 156 C ALA A 10 7.237 4.231 10.698 1.00 33.33 C ATOM 157 O ALA A 10 7.286 3.621 11.772 1.00 14.44 O ATOM 158 CB ALA A 10 8.297 6.538 10.596 1.00 54.31 C ATOM 0 H ALA A 10 8.322 5.782 8.214 1.00 44.00 H new ATOM 0 HA ALA A 10 9.346 4.668 10.661 1.00 13.24 H new ATOM 0 HB1 ALA A 10 8.194 6.611 11.679 1.00 54.31 H new ATOM 0 HB2 ALA A 10 9.180 7.092 10.278 1.00 54.31 H new ATOM 0 HB3 ALA A 10 7.413 6.959 10.118 1.00 54.31 H new ATOM 164 N LEU A 11 6.156 4.219 9.889 1.00 12.11 N ATOM 165 CA LEU A 11 4.980 3.348 10.109 1.00 11.32 C ATOM 166 C LEU A 11 5.364 1.862 9.914 1.00 44.35 C ATOM 167 O LEU A 11 4.881 0.988 10.631 1.00 1.32 O ATOM 168 CB LEU A 11 3.830 3.749 9.138 1.00 20.33 C ATOM 169 CG LEU A 11 3.284 5.208 9.288 1.00 31.15 C ATOM 170 CD1 LEU A 11 2.297 5.563 8.155 1.00 20.33 C ATOM 171 CD2 LEU A 11 2.655 5.436 10.685 1.00 42.55 C ATOM 0 H LEU A 11 6.073 4.813 9.064 1.00 12.11 H new ATOM 0 HA LEU A 11 4.632 3.479 11.134 1.00 11.32 H new ATOM 0 HB2 LEU A 11 4.182 3.617 8.115 1.00 20.33 H new ATOM 0 HB3 LEU A 11 3.001 3.055 9.281 1.00 20.33 H new ATOM 0 HG LEU A 11 4.134 5.885 9.200 1.00 31.15 H new ATOM 0 HD11 LEU A 11 1.938 6.583 8.291 1.00 20.33 H new ATOM 0 HD12 LEU A 11 2.803 5.482 7.193 1.00 20.33 H new ATOM 0 HD13 LEU A 11 1.452 4.875 8.180 1.00 20.33 H new ATOM 0 HD21 LEU A 11 2.286 6.459 10.755 1.00 42.55 H new ATOM 0 HD22 LEU A 11 1.828 4.741 10.829 1.00 42.55 H new ATOM 0 HD23 LEU A 11 3.408 5.268 11.455 1.00 42.55 H new ATOM 183 N ALA A 12 6.257 1.611 8.942 1.00 43.41 N ATOM 184 CA ALA A 12 6.771 0.264 8.618 1.00 64.10 C ATOM 185 C ALA A 12 7.470 -0.416 9.817 1.00 44.44 C ATOM 186 O ALA A 12 7.178 -1.579 10.137 1.00 4.41 O ATOM 187 CB ALA A 12 7.731 0.351 7.421 1.00 61.54 C ATOM 0 H ALA A 12 6.648 2.344 8.351 1.00 43.41 H new ATOM 0 HA ALA A 12 5.913 -0.358 8.363 1.00 64.10 H new ATOM 0 HB1 ALA A 12 8.109 -0.644 7.184 1.00 61.54 H new ATOM 0 HB2 ALA A 12 7.201 0.753 6.558 1.00 61.54 H new ATOM 0 HB3 ALA A 12 8.566 1.006 7.671 1.00 61.54 H new ATOM 193 N GLY A 13 8.371 0.338 10.472 1.00 4.04 N ATOM 194 CA GLY A 13 9.146 -0.166 11.616 1.00 63.32 C ATOM 195 C GLY A 13 8.284 -0.767 12.738 1.00 42.24 C ATOM 196 O GLY A 13 8.438 -1.940 13.083 1.00 71.34 O ATOM 0 H GLY A 13 8.580 1.305 10.225 1.00 4.04 H new ATOM 0 HA2 GLY A 13 9.845 -0.924 11.263 1.00 63.32 H new ATOM 0 HA3 GLY A 13 9.741 0.650 12.026 1.00 63.32 H new ATOM 200 N GLN A 14 7.305 0.014 13.228 1.00 30.23 N ATOM 201 CA GLN A 14 6.428 -0.407 14.351 1.00 12.31 C ATOM 202 C GLN A 14 5.536 -1.631 13.981 1.00 35.21 C ATOM 203 O GLN A 14 5.246 -2.466 14.843 1.00 52.13 O ATOM 204 CB GLN A 14 5.554 0.784 14.842 1.00 13.34 C ATOM 205 CG GLN A 14 4.615 1.383 13.781 1.00 34.00 C ATOM 206 CD GLN A 14 3.828 2.606 14.259 1.00 61.34 C ATOM 207 OE1 GLN A 14 3.528 2.754 15.438 1.00 75.01 O ATOM 208 NE2 GLN A 14 3.470 3.482 13.345 1.00 23.14 N ATOM 0 H GLN A 14 7.096 0.945 12.867 1.00 30.23 H new ATOM 0 HA GLN A 14 7.080 -0.723 15.165 1.00 12.31 H new ATOM 0 HB2 GLN A 14 4.954 0.450 15.689 1.00 13.34 H new ATOM 0 HB3 GLN A 14 6.213 1.571 15.208 1.00 13.34 H new ATOM 0 HG2 GLN A 14 5.204 1.662 12.907 1.00 34.00 H new ATOM 0 HG3 GLN A 14 3.912 0.615 13.459 1.00 34.00 H new ATOM 0 HE21 GLN A 14 3.731 3.337 12.370 1.00 23.14 H new ATOM 0 HE22 GLN A 14 2.931 4.306 13.612 1.00 23.14 H new ATOM 217 N ILE A 15 5.116 -1.735 12.696 1.00 55.11 N ATOM 218 CA ILE A 15 4.283 -2.870 12.207 1.00 71.20 C ATOM 219 C ILE A 15 5.104 -4.187 12.157 1.00 13.23 C ATOM 220 O ILE A 15 4.592 -5.258 12.507 1.00 72.22 O ATOM 221 CB ILE A 15 3.643 -2.555 10.796 1.00 44.52 C ATOM 222 CG1 ILE A 15 2.742 -1.280 10.881 1.00 31.01 C ATOM 223 CG2 ILE A 15 2.826 -3.759 10.241 1.00 75.44 C ATOM 224 CD1 ILE A 15 2.182 -0.799 9.552 1.00 64.32 C ATOM 0 H ILE A 15 5.339 -1.048 11.976 1.00 55.11 H new ATOM 0 HA ILE A 15 3.468 -3.004 12.919 1.00 71.20 H new ATOM 0 HB ILE A 15 4.462 -2.370 10.101 1.00 44.52 H new ATOM 0 HG12 ILE A 15 1.911 -1.485 11.555 1.00 31.01 H new ATOM 0 HG13 ILE A 15 3.322 -0.472 11.327 1.00 31.01 H new ATOM 0 HG21 ILE A 15 2.405 -3.497 9.270 1.00 75.44 H new ATOM 0 HG22 ILE A 15 3.481 -4.623 10.131 1.00 75.44 H new ATOM 0 HG23 ILE A 15 2.019 -4.001 10.933 1.00 75.44 H new ATOM 0 HD11 ILE A 15 1.571 0.089 9.715 1.00 64.32 H new ATOM 0 HD12 ILE A 15 3.003 -0.556 8.878 1.00 64.32 H new ATOM 0 HD13 ILE A 15 1.570 -1.585 9.110 1.00 64.32 H new ATOM 236 N TRP A 16 6.382 -4.088 11.735 1.00 52.22 N ATOM 237 CA TRP A 16 7.323 -5.237 11.733 1.00 33.33 C ATOM 238 C TRP A 16 7.536 -5.788 13.170 1.00 71.44 C ATOM 239 O TRP A 16 7.399 -6.996 13.404 1.00 54.24 O ATOM 240 CB TRP A 16 8.687 -4.834 11.100 1.00 21.41 C ATOM 241 CG TRP A 16 9.608 -6.007 10.795 1.00 31.42 C ATOM 242 CD1 TRP A 16 9.739 -6.641 9.594 1.00 40.12 C ATOM 243 CD2 TRP A 16 10.498 -6.700 11.695 1.00 15.54 C ATOM 244 NE1 TRP A 16 10.662 -7.647 9.682 1.00 24.02 N ATOM 245 CE2 TRP A 16 11.136 -7.707 10.960 1.00 70.20 C ATOM 246 CE3 TRP A 16 10.819 -6.556 13.047 1.00 52.42 C ATOM 247 CZ2 TRP A 16 12.071 -8.568 11.526 1.00 31.22 C ATOM 248 CZ3 TRP A 16 11.740 -7.406 13.611 1.00 14.21 C ATOM 249 CH2 TRP A 16 12.359 -8.402 12.852 1.00 62.21 C ATOM 0 H TRP A 16 6.791 -3.220 11.389 1.00 52.22 H new ATOM 0 HA TRP A 16 6.880 -6.028 11.127 1.00 33.33 H new ATOM 0 HB2 TRP A 16 8.498 -4.286 10.177 1.00 21.41 H new ATOM 0 HB3 TRP A 16 9.200 -4.151 11.777 1.00 21.41 H new ATOM 0 HD1 TRP A 16 9.191 -6.385 8.699 1.00 40.12 H new ATOM 0 HE1 TRP A 16 10.950 -8.255 8.915 1.00 24.02 H new ATOM 0 HE3 TRP A 16 10.349 -5.786 13.642 1.00 52.42 H new ATOM 0 HZ2 TRP A 16 12.551 -9.338 10.940 1.00 31.22 H new ATOM 0 HZ3 TRP A 16 11.989 -7.302 14.657 1.00 14.21 H new ATOM 0 HH2 TRP A 16 13.080 -9.054 13.322 1.00 62.21 H new ATOM 260 N GLU A 17 7.892 -4.887 14.117 1.00 34.42 N ATOM 261 CA GLU A 17 8.047 -5.245 15.556 1.00 23.10 C ATOM 262 C GLU A 17 6.749 -5.861 16.151 1.00 52.42 C ATOM 263 O GLU A 17 6.821 -6.714 17.042 1.00 74.45 O ATOM 264 CB GLU A 17 8.497 -4.016 16.416 1.00 42.50 C ATOM 265 CG GLU A 17 10.015 -3.680 16.389 1.00 13.35 C ATOM 266 CD GLU A 17 10.497 -2.935 15.132 1.00 70.03 C ATOM 267 OE1 GLU A 17 10.779 -3.582 14.110 1.00 11.21 O ATOM 268 OE2 GLU A 17 10.614 -1.691 15.169 1.00 54.20 O ATOM 0 H GLU A 17 8.078 -3.905 13.914 1.00 34.42 H new ATOM 0 HA GLU A 17 8.831 -6.002 15.596 1.00 23.10 H new ATOM 0 HB2 GLU A 17 7.946 -3.139 16.076 1.00 42.50 H new ATOM 0 HB3 GLU A 17 8.204 -4.196 17.450 1.00 42.50 H new ATOM 0 HG2 GLU A 17 10.253 -3.075 17.264 1.00 13.35 H new ATOM 0 HG3 GLU A 17 10.578 -4.609 16.480 1.00 13.35 H new ATOM 275 N ALA A 18 5.578 -5.424 15.647 1.00 52.44 N ATOM 276 CA ALA A 18 4.260 -5.972 16.059 1.00 52.22 C ATOM 277 C ALA A 18 4.091 -7.448 15.609 1.00 42.23 C ATOM 278 O ALA A 18 3.572 -8.287 16.356 1.00 44.44 O ATOM 279 CB ALA A 18 3.130 -5.103 15.480 1.00 65.23 C ATOM 0 H ALA A 18 5.513 -4.685 14.946 1.00 52.44 H new ATOM 0 HA ALA A 18 4.209 -5.952 17.148 1.00 52.22 H new ATOM 0 HB1 ALA A 18 2.166 -5.509 15.785 1.00 65.23 H new ATOM 0 HB2 ALA A 18 3.228 -4.083 15.852 1.00 65.23 H new ATOM 0 HB3 ALA A 18 3.194 -5.100 14.392 1.00 65.23 H new ATOM 285 N LEU A 19 4.540 -7.740 14.376 1.00 32.42 N ATOM 286 CA LEU A 19 4.486 -9.099 13.782 1.00 53.23 C ATOM 287 C LEU A 19 5.635 -10.015 14.289 1.00 51.13 C ATOM 288 O LEU A 19 5.561 -11.241 14.151 1.00 30.12 O ATOM 289 CB LEU A 19 4.514 -8.976 12.237 1.00 54.21 C ATOM 290 CG LEU A 19 3.315 -8.201 11.610 1.00 12.33 C ATOM 291 CD1 LEU A 19 3.468 -8.052 10.081 1.00 21.42 C ATOM 292 CD2 LEU A 19 1.979 -8.870 11.997 1.00 42.42 C ATOM 0 H LEU A 19 4.953 -7.042 13.757 1.00 32.42 H new ATOM 0 HA LEU A 19 3.557 -9.574 14.098 1.00 53.23 H new ATOM 0 HB2 LEU A 19 5.439 -8.479 11.945 1.00 54.21 H new ATOM 0 HB3 LEU A 19 4.541 -9.978 11.809 1.00 54.21 H new ATOM 0 HG LEU A 19 3.312 -7.191 12.019 1.00 12.33 H new ATOM 0 HD11 LEU A 19 2.613 -7.507 9.681 1.00 21.42 H new ATOM 0 HD12 LEU A 19 4.384 -7.504 9.859 1.00 21.42 H new ATOM 0 HD13 LEU A 19 3.515 -9.040 9.622 1.00 21.42 H new ATOM 0 HD21 LEU A 19 1.152 -8.317 11.551 1.00 42.42 H new ATOM 0 HD22 LEU A 19 1.967 -9.897 11.632 1.00 42.42 H new ATOM 0 HD23 LEU A 19 1.873 -8.870 13.082 1.00 42.42 H new ATOM 304 N ASN A 20 6.694 -9.405 14.856 1.00 51.45 N ATOM 305 CA ASN A 20 7.823 -10.141 15.470 1.00 44.11 C ATOM 306 C ASN A 20 7.404 -10.736 16.841 1.00 52.11 C ATOM 307 O ASN A 20 6.730 -10.067 17.633 1.00 2.01 O ATOM 308 CB ASN A 20 9.053 -9.203 15.616 1.00 73.05 C ATOM 309 CG ASN A 20 10.302 -9.923 16.135 1.00 44.44 C ATOM 310 OD1 ASN A 20 10.556 -9.977 17.332 1.00 21.12 O ATOM 311 ND2 ASN A 20 11.087 -10.489 15.238 1.00 51.12 N ATOM 0 H ASN A 20 6.793 -8.391 14.903 1.00 51.45 H new ATOM 0 HA ASN A 20 8.101 -10.970 14.820 1.00 44.11 H new ATOM 0 HB2 ASN A 20 9.276 -8.754 14.648 1.00 73.05 H new ATOM 0 HB3 ASN A 20 8.802 -8.388 16.295 1.00 73.05 H new ATOM 0 HD21 ASN A 20 11.927 -10.985 15.536 1.00 51.12 H new ATOM 0 HD22 ASN A 20 10.854 -10.430 14.247 1.00 51.12 H new ATOM 318 N GLY A 21 7.795 -12.000 17.102 1.00 61.32 N ATOM 319 CA GLY A 21 7.425 -12.708 18.343 1.00 13.44 C ATOM 320 C GLY A 21 6.040 -13.380 18.278 1.00 72.10 C ATOM 321 O GLY A 21 5.881 -14.529 18.701 1.00 64.42 O ATOM 0 H GLY A 21 8.370 -12.553 16.466 1.00 61.32 H new ATOM 0 HA2 GLY A 21 8.178 -13.466 18.558 1.00 13.44 H new ATOM 0 HA3 GLY A 21 7.439 -12.001 19.173 1.00 13.44 H new ATOM 325 N THR A 22 5.037 -12.651 17.751 1.00 0.15 N ATOM 326 CA THR A 22 3.651 -13.169 17.597 1.00 62.23 C ATOM 327 C THR A 22 3.542 -14.166 16.414 1.00 25.33 C ATOM 328 O THR A 22 4.410 -14.201 15.533 1.00 23.44 O ATOM 329 CB THR A 22 2.623 -12.003 17.379 1.00 51.03 C ATOM 330 OG1 THR A 22 2.860 -11.348 16.114 1.00 4.03 O ATOM 331 CG2 THR A 22 2.687 -10.965 18.519 1.00 22.04 C ATOM 0 H THR A 22 5.156 -11.693 17.421 1.00 0.15 H new ATOM 0 HA THR A 22 3.411 -13.690 18.524 1.00 62.23 H new ATOM 0 HB THR A 22 1.627 -12.447 17.377 1.00 51.03 H new ATOM 0 HG1 THR A 22 3.073 -10.404 16.269 1.00 4.03 H new ATOM 0 HG21 THR A 22 1.961 -10.174 18.332 1.00 22.04 H new ATOM 0 HG22 THR A 22 2.458 -11.451 19.467 1.00 22.04 H new ATOM 0 HG23 THR A 22 3.688 -10.536 18.564 1.00 22.04 H new ATOM 339 N GLU A 23 2.461 -14.977 16.405 1.00 32.31 N ATOM 340 CA GLU A 23 2.155 -15.941 15.303 1.00 3.02 C ATOM 341 C GLU A 23 1.790 -15.230 13.967 1.00 3.24 C ATOM 342 O GLU A 23 1.685 -15.874 12.914 1.00 31.14 O ATOM 343 CB GLU A 23 0.964 -16.861 15.720 1.00 42.10 C ATOM 344 CG GLU A 23 1.024 -17.427 17.157 1.00 30.22 C ATOM 345 CD GLU A 23 2.272 -18.280 17.430 1.00 42.43 C ATOM 346 OE1 GLU A 23 2.285 -19.457 17.035 1.00 61.10 O ATOM 347 OE2 GLU A 23 3.248 -17.777 18.031 1.00 41.32 O ATOM 0 H GLU A 23 1.771 -14.988 17.157 1.00 32.31 H new ATOM 0 HA GLU A 23 3.060 -16.526 15.137 1.00 3.02 H new ATOM 0 HB2 GLU A 23 0.038 -16.297 15.610 1.00 42.10 H new ATOM 0 HB3 GLU A 23 0.913 -17.697 15.022 1.00 42.10 H new ATOM 0 HG2 GLU A 23 0.998 -16.599 17.866 1.00 30.22 H new ATOM 0 HG3 GLU A 23 0.135 -18.031 17.338 1.00 30.22 H new ATOM 354 N GLY A 24 1.593 -13.903 14.039 1.00 71.23 N ATOM 355 CA GLY A 24 1.044 -13.110 12.939 1.00 71.24 C ATOM 356 C GLY A 24 -0.268 -12.462 13.336 1.00 1.34 C ATOM 357 O GLY A 24 -1.080 -13.078 14.042 1.00 71.54 O ATOM 0 H GLY A 24 1.813 -13.352 14.869 1.00 71.23 H new ATOM 0 HA2 GLY A 24 1.760 -12.341 12.648 1.00 71.24 H new ATOM 0 HA3 GLY A 24 0.890 -13.748 12.068 1.00 71.24 H new ATOM 361 N LEU A 25 -0.505 -11.226 12.889 1.00 20.33 N ATOM 362 CA LEU A 25 -1.662 -10.424 13.333 1.00 41.41 C ATOM 363 C LEU A 25 -2.455 -9.884 12.120 1.00 42.22 C ATOM 364 O LEU A 25 -1.910 -9.715 11.024 1.00 34.23 O ATOM 365 CB LEU A 25 -1.185 -9.244 14.233 1.00 55.55 C ATOM 366 CG LEU A 25 -0.431 -9.610 15.554 1.00 65.13 C ATOM 367 CD1 LEU A 25 0.035 -8.335 16.297 1.00 5.33 C ATOM 368 CD2 LEU A 25 -1.294 -10.518 16.467 1.00 72.30 C ATOM 0 H LEU A 25 0.092 -10.750 12.213 1.00 20.33 H new ATOM 0 HA LEU A 25 -2.322 -11.068 13.914 1.00 41.41 H new ATOM 0 HB2 LEU A 25 -0.531 -8.607 13.637 1.00 55.55 H new ATOM 0 HB3 LEU A 25 -2.058 -8.647 14.497 1.00 55.55 H new ATOM 0 HG LEU A 25 0.458 -10.179 15.283 1.00 65.13 H new ATOM 0 HD11 LEU A 25 0.556 -8.617 17.212 1.00 5.33 H new ATOM 0 HD12 LEU A 25 0.709 -7.766 15.656 1.00 5.33 H new ATOM 0 HD13 LEU A 25 -0.831 -7.723 16.547 1.00 5.33 H new ATOM 0 HD21 LEU A 25 -0.739 -10.753 17.376 1.00 72.30 H new ATOM 0 HD22 LEU A 25 -2.216 -9.999 16.729 1.00 72.30 H new ATOM 0 HD23 LEU A 25 -1.534 -11.441 15.940 1.00 72.30 H new ATOM 380 N THR A 26 -3.752 -9.620 12.339 1.00 44.22 N ATOM 381 CA THR A 26 -4.638 -8.977 11.336 1.00 74.50 C ATOM 382 C THR A 26 -4.537 -7.438 11.432 1.00 61.20 C ATOM 383 O THR A 26 -3.960 -6.927 12.386 1.00 53.44 O ATOM 384 CB THR A 26 -6.126 -9.397 11.545 1.00 44.53 C ATOM 385 OG1 THR A 26 -6.626 -8.831 12.774 1.00 13.00 O ATOM 386 CG2 THR A 26 -6.296 -10.932 11.567 1.00 64.25 C ATOM 0 H THR A 26 -4.224 -9.844 13.215 1.00 44.22 H new ATOM 0 HA THR A 26 -4.309 -9.309 10.351 1.00 74.50 H new ATOM 0 HB THR A 26 -6.699 -9.014 10.701 1.00 44.53 H new ATOM 0 HG1 THR A 26 -7.561 -9.096 12.900 1.00 13.00 H new ATOM 0 HG21 THR A 26 -7.347 -11.180 11.715 1.00 64.25 H new ATOM 0 HG22 THR A 26 -5.955 -11.350 10.620 1.00 64.25 H new ATOM 0 HG23 THR A 26 -5.706 -11.352 12.382 1.00 64.25 H new ATOM 394 N GLN A 27 -5.130 -6.693 10.468 1.00 5.12 N ATOM 395 CA GLN A 27 -5.104 -5.200 10.482 1.00 34.11 C ATOM 396 C GLN A 27 -5.771 -4.616 11.766 1.00 11.20 C ATOM 397 O GLN A 27 -5.429 -3.515 12.212 1.00 10.41 O ATOM 398 CB GLN A 27 -5.737 -4.618 9.172 1.00 53.54 C ATOM 399 CG GLN A 27 -7.264 -4.819 8.970 1.00 2.12 C ATOM 400 CD GLN A 27 -8.133 -3.645 9.451 1.00 31.41 C ATOM 401 OE1 GLN A 27 -8.560 -3.593 10.594 1.00 22.15 O ATOM 402 NE2 GLN A 27 -8.385 -2.685 8.579 1.00 45.31 N ATOM 0 H GLN A 27 -5.630 -7.093 9.674 1.00 5.12 H new ATOM 0 HA GLN A 27 -4.060 -4.887 10.510 1.00 34.11 H new ATOM 0 HB2 GLN A 27 -5.531 -3.548 9.144 1.00 53.54 H new ATOM 0 HB3 GLN A 27 -5.222 -5.064 8.321 1.00 53.54 H new ATOM 0 HG2 GLN A 27 -7.458 -4.988 7.911 1.00 2.12 H new ATOM 0 HG3 GLN A 27 -7.571 -5.722 9.498 1.00 2.12 H new ATOM 0 HE21 GLN A 27 -8.018 -2.749 7.629 1.00 45.31 H new ATOM 0 HE22 GLN A 27 -8.946 -1.880 8.855 1.00 45.31 H new ATOM 411 N LYS A 28 -6.729 -5.378 12.334 1.00 52.11 N ATOM 412 CA LYS A 28 -7.401 -5.064 13.624 1.00 13.15 C ATOM 413 C LYS A 28 -6.438 -5.224 14.835 1.00 42.42 C ATOM 414 O LYS A 28 -6.400 -4.382 15.737 1.00 43.34 O ATOM 415 CB LYS A 28 -8.638 -5.994 13.805 1.00 4.13 C ATOM 416 CG LYS A 28 -9.706 -5.865 12.694 1.00 10.54 C ATOM 417 CD LYS A 28 -10.873 -6.871 12.848 1.00 4.12 C ATOM 418 CE LYS A 28 -11.655 -6.697 14.167 1.00 71.43 C ATOM 419 NZ LYS A 28 -12.788 -7.654 14.279 1.00 4.32 N ATOM 0 H LYS A 28 -7.066 -6.241 11.908 1.00 52.11 H new ATOM 0 HA LYS A 28 -7.718 -4.022 13.592 1.00 13.15 H new ATOM 0 HB2 LYS A 28 -8.296 -7.028 13.844 1.00 4.13 H new ATOM 0 HB3 LYS A 28 -9.104 -5.775 14.766 1.00 4.13 H new ATOM 0 HG2 LYS A 28 -10.106 -4.851 12.700 1.00 10.54 H new ATOM 0 HG3 LYS A 28 -9.232 -6.015 11.724 1.00 10.54 H new ATOM 0 HD2 LYS A 28 -11.558 -6.754 12.009 1.00 4.12 H new ATOM 0 HD3 LYS A 28 -10.478 -7.886 12.798 1.00 4.12 H new ATOM 0 HE2 LYS A 28 -10.978 -6.838 15.010 1.00 71.43 H new ATOM 0 HE3 LYS A 28 -12.035 -5.677 14.230 1.00 71.43 H new ATOM 0 HZ1 LYS A 28 -13.284 -7.501 15.180 1.00 4.32 H new ATOM 0 HZ2 LYS A 28 -13.449 -7.504 13.490 1.00 4.32 H new ATOM 0 HZ3 LYS A 28 -12.424 -8.628 14.245 1.00 4.32 H new ATOM 433 N GLN A 29 -5.666 -6.318 14.835 1.00 51.34 N ATOM 434 CA GLN A 29 -4.745 -6.672 15.947 1.00 3.35 C ATOM 435 C GLN A 29 -3.455 -5.805 15.930 1.00 32.11 C ATOM 436 O GLN A 29 -2.955 -5.392 16.981 1.00 64.12 O ATOM 437 CB GLN A 29 -4.414 -8.180 15.860 1.00 41.02 C ATOM 438 CG GLN A 29 -5.659 -9.089 15.949 1.00 54.14 C ATOM 439 CD GLN A 29 -5.373 -10.573 15.715 1.00 14.41 C ATOM 440 OE1 GLN A 29 -4.454 -10.942 14.995 1.00 30.31 O ATOM 441 NE2 GLN A 29 -6.177 -11.438 16.298 1.00 35.43 N ATOM 0 H GLN A 29 -5.655 -6.990 14.068 1.00 51.34 H new ATOM 0 HA GLN A 29 -5.239 -6.463 16.896 1.00 3.35 H new ATOM 0 HB2 GLN A 29 -3.896 -8.377 14.921 1.00 41.02 H new ATOM 0 HB3 GLN A 29 -3.726 -8.440 16.664 1.00 41.02 H new ATOM 0 HG2 GLN A 29 -6.112 -8.969 16.933 1.00 54.14 H new ATOM 0 HG3 GLN A 29 -6.393 -8.753 15.217 1.00 54.14 H new ATOM 0 HE21 GLN A 29 -6.936 -11.107 16.894 1.00 35.43 H new ATOM 0 HE22 GLN A 29 -6.041 -12.438 16.154 1.00 35.43 H new ATOM 450 N ILE A 30 -2.930 -5.542 14.720 1.00 61.43 N ATOM 451 CA ILE A 30 -1.778 -4.627 14.493 1.00 53.42 C ATOM 452 C ILE A 30 -2.144 -3.172 14.872 1.00 31.33 C ATOM 453 O ILE A 30 -1.296 -2.426 15.352 1.00 72.02 O ATOM 454 CB ILE A 30 -1.292 -4.692 12.993 1.00 74.04 C ATOM 455 CG1 ILE A 30 -0.865 -6.143 12.634 1.00 43.45 C ATOM 456 CG2 ILE A 30 -0.139 -3.696 12.699 1.00 32.40 C ATOM 457 CD1 ILE A 30 -0.546 -6.383 11.171 1.00 13.20 C ATOM 0 H ILE A 30 -3.290 -5.957 13.861 1.00 61.43 H new ATOM 0 HA ILE A 30 -0.962 -4.957 15.136 1.00 53.42 H new ATOM 0 HB ILE A 30 -2.132 -4.396 12.365 1.00 74.04 H new ATOM 0 HG12 ILE A 30 0.012 -6.403 13.227 1.00 43.45 H new ATOM 0 HG13 ILE A 30 -1.664 -6.823 12.931 1.00 43.45 H new ATOM 0 HG21 ILE A 30 0.158 -3.781 11.654 1.00 32.40 H new ATOM 0 HG22 ILE A 30 -0.477 -2.679 12.898 1.00 32.40 H new ATOM 0 HG23 ILE A 30 0.713 -3.927 13.338 1.00 32.40 H new ATOM 0 HD11 ILE A 30 -0.260 -7.425 11.027 1.00 13.20 H new ATOM 0 HD12 ILE A 30 -1.425 -6.162 10.566 1.00 13.20 H new ATOM 0 HD13 ILE A 30 0.276 -5.735 10.867 1.00 13.20 H new ATOM 469 N LYS A 31 -3.423 -2.801 14.656 1.00 35.01 N ATOM 470 CA LYS A 31 -3.982 -1.479 15.056 1.00 35.14 C ATOM 471 C LYS A 31 -3.698 -1.197 16.560 1.00 75.14 C ATOM 472 O LYS A 31 -3.230 -0.121 16.936 1.00 53.13 O ATOM 473 CB LYS A 31 -5.527 -1.466 14.797 1.00 12.02 C ATOM 474 CG LYS A 31 -6.143 -0.078 14.475 1.00 22.45 C ATOM 475 CD LYS A 31 -6.249 0.215 12.945 1.00 14.30 C ATOM 476 CE LYS A 31 -7.559 -0.301 12.311 1.00 72.44 C ATOM 477 NZ LYS A 31 -7.761 -1.759 12.504 1.00 2.24 N ATOM 0 H LYS A 31 -4.104 -3.407 14.199 1.00 35.01 H new ATOM 0 HA LYS A 31 -3.504 -0.700 14.462 1.00 35.14 H new ATOM 0 HB2 LYS A 31 -5.744 -2.140 13.969 1.00 12.02 H new ATOM 0 HB3 LYS A 31 -6.028 -1.870 15.677 1.00 12.02 H new ATOM 0 HG2 LYS A 31 -7.137 -0.019 14.918 1.00 22.45 H new ATOM 0 HG3 LYS A 31 -5.538 0.697 14.945 1.00 22.45 H new ATOM 0 HD2 LYS A 31 -6.174 1.290 12.783 1.00 14.30 H new ATOM 0 HD3 LYS A 31 -5.402 -0.244 12.435 1.00 14.30 H new ATOM 0 HE2 LYS A 31 -8.402 0.238 12.743 1.00 72.44 H new ATOM 0 HE3 LYS A 31 -7.552 -0.079 11.244 1.00 72.44 H new ATOM 0 HZ1 LYS A 31 -8.402 -2.121 11.769 1.00 2.24 H new ATOM 0 HZ2 LYS A 31 -6.846 -2.248 12.437 1.00 2.24 H new ATOM 0 HZ3 LYS A 31 -8.177 -1.931 13.441 1.00 2.24 H new ATOM 491 N LYS A 32 -3.978 -2.216 17.396 1.00 43.20 N ATOM 492 CA LYS A 32 -3.718 -2.186 18.852 1.00 32.31 C ATOM 493 C LYS A 32 -2.202 -2.215 19.178 1.00 25.43 C ATOM 494 O LYS A 32 -1.722 -1.427 19.998 1.00 11.31 O ATOM 495 CB LYS A 32 -4.441 -3.382 19.540 1.00 22.11 C ATOM 496 CG LYS A 32 -5.989 -3.283 19.557 1.00 5.32 C ATOM 497 CD LYS A 32 -6.503 -2.051 20.350 1.00 62.00 C ATOM 498 CE LYS A 32 -6.077 -2.079 21.832 1.00 41.33 C ATOM 499 NZ LYS A 32 -6.428 -0.831 22.543 1.00 51.34 N ATOM 0 H LYS A 32 -4.395 -3.091 17.079 1.00 43.20 H new ATOM 0 HA LYS A 32 -4.111 -1.246 19.239 1.00 32.31 H new ATOM 0 HB2 LYS A 32 -4.155 -4.303 19.031 1.00 22.11 H new ATOM 0 HB3 LYS A 32 -4.085 -3.462 20.567 1.00 22.11 H new ATOM 0 HG2 LYS A 32 -6.357 -3.229 18.532 1.00 5.32 H new ATOM 0 HG3 LYS A 32 -6.402 -4.191 19.997 1.00 5.32 H new ATOM 0 HD2 LYS A 32 -6.125 -1.141 19.884 1.00 62.00 H new ATOM 0 HD3 LYS A 32 -7.591 -2.012 20.289 1.00 62.00 H new ATOM 0 HE2 LYS A 32 -6.555 -2.924 22.329 1.00 41.33 H new ATOM 0 HE3 LYS A 32 -5.001 -2.239 21.895 1.00 41.33 H new ATOM 0 HZ1 LYS A 32 -6.122 -0.898 23.535 1.00 51.34 H new ATOM 0 HZ2 LYS A 32 -5.952 -0.026 22.087 1.00 51.34 H new ATOM 0 HZ3 LYS A 32 -7.458 -0.689 22.508 1.00 51.34 H new ATOM 513 N ALA A 33 -1.469 -3.125 18.512 1.00 30.24 N ATOM 514 CA ALA A 33 -0.028 -3.381 18.781 1.00 43.24 C ATOM 515 C ALA A 33 0.870 -2.145 18.507 1.00 71.20 C ATOM 516 O ALA A 33 1.777 -1.830 19.290 1.00 15.31 O ATOM 517 CB ALA A 33 0.439 -4.582 17.946 1.00 70.32 C ATOM 0 H ALA A 33 -1.853 -3.709 17.769 1.00 30.24 H new ATOM 0 HA ALA A 33 0.073 -3.601 19.844 1.00 43.24 H new ATOM 0 HB1 ALA A 33 1.494 -4.772 18.141 1.00 70.32 H new ATOM 0 HB2 ALA A 33 -0.144 -5.462 18.217 1.00 70.32 H new ATOM 0 HB3 ALA A 33 0.299 -4.365 16.887 1.00 70.32 H new ATOM 523 N THR A 34 0.598 -1.460 17.388 1.00 10.53 N ATOM 524 CA THR A 34 1.362 -0.268 16.935 1.00 64.45 C ATOM 525 C THR A 34 0.822 1.056 17.528 1.00 72.04 C ATOM 526 O THR A 34 1.446 2.108 17.352 1.00 70.20 O ATOM 527 CB THR A 34 1.349 -0.171 15.379 1.00 53.53 C ATOM 528 OG1 THR A 34 0.000 -0.009 14.910 1.00 54.11 O ATOM 529 CG2 THR A 34 1.962 -1.420 14.732 1.00 60.20 C ATOM 0 H THR A 34 -0.164 -1.713 16.759 1.00 10.53 H new ATOM 0 HA THR A 34 2.381 -0.403 17.298 1.00 64.45 H new ATOM 0 HB THR A 34 1.950 0.693 15.096 1.00 53.53 H new ATOM 0 HG1 THR A 34 -0.487 -0.853 15.017 1.00 54.11 H new ATOM 0 HG21 THR A 34 1.936 -1.318 13.647 1.00 60.20 H new ATOM 0 HG22 THR A 34 2.995 -1.531 15.062 1.00 60.20 H new ATOM 0 HG23 THR A 34 1.391 -2.300 15.027 1.00 60.20 H new ATOM 537 N LYS A 35 -0.334 0.977 18.228 1.00 2.53 N ATOM 538 CA LYS A 35 -0.975 2.121 18.940 1.00 65.45 C ATOM 539 C LYS A 35 -1.507 3.205 17.957 1.00 61.43 C ATOM 540 O LYS A 35 -1.231 4.404 18.103 1.00 10.12 O ATOM 541 CB LYS A 35 -0.019 2.731 20.019 1.00 33.32 C ATOM 542 CG LYS A 35 0.572 1.700 21.007 1.00 3.34 C ATOM 543 CD LYS A 35 -0.499 1.004 21.876 1.00 4.52 C ATOM 544 CE LYS A 35 0.075 -0.179 22.670 1.00 14.34 C ATOM 545 NZ LYS A 35 1.235 0.218 23.516 1.00 34.21 N ATOM 0 H LYS A 35 -0.859 0.107 18.319 1.00 2.53 H new ATOM 0 HA LYS A 35 -1.845 1.723 19.462 1.00 65.45 H new ATOM 0 HB2 LYS A 35 0.800 3.242 19.513 1.00 33.32 H new ATOM 0 HB3 LYS A 35 -0.565 3.486 20.585 1.00 33.32 H new ATOM 0 HG2 LYS A 35 1.123 0.944 20.447 1.00 3.34 H new ATOM 0 HG3 LYS A 35 1.289 2.200 21.658 1.00 3.34 H new ATOM 0 HD2 LYS A 35 -0.930 1.728 22.567 1.00 4.52 H new ATOM 0 HD3 LYS A 35 -1.309 0.652 21.238 1.00 4.52 H new ATOM 0 HE2 LYS A 35 -0.705 -0.602 23.303 1.00 14.34 H new ATOM 0 HE3 LYS A 35 0.384 -0.962 21.978 1.00 14.34 H new ATOM 0 HZ1 LYS A 35 1.524 -0.586 24.108 1.00 34.21 H new ATOM 0 HZ2 LYS A 35 2.028 0.502 22.906 1.00 34.21 H new ATOM 0 HZ3 LYS A 35 0.964 1.016 24.125 1.00 34.21 H new ATOM 559 N LEU A 36 -2.295 2.755 16.965 1.00 3.24 N ATOM 560 CA LEU A 36 -2.994 3.649 16.003 1.00 1.13 C ATOM 561 C LEU A 36 -4.476 3.231 15.838 1.00 5.41 C ATOM 562 O LEU A 36 -4.911 2.216 16.392 1.00 3.44 O ATOM 563 CB LEU A 36 -2.211 3.753 14.643 1.00 62.21 C ATOM 564 CG LEU A 36 -1.858 2.433 13.864 1.00 23.42 C ATOM 565 CD1 LEU A 36 -3.046 1.860 13.070 1.00 32.22 C ATOM 566 CD2 LEU A 36 -0.630 2.642 12.938 1.00 33.41 C ATOM 0 H LEU A 36 -2.470 1.764 16.801 1.00 3.24 H new ATOM 0 HA LEU A 36 -3.007 4.660 16.411 1.00 1.13 H new ATOM 0 HB2 LEU A 36 -2.796 4.384 13.974 1.00 62.21 H new ATOM 0 HB3 LEU A 36 -1.277 4.279 14.840 1.00 62.21 H new ATOM 0 HG LEU A 36 -1.606 1.693 14.623 1.00 23.42 H new ATOM 0 HD11 LEU A 36 -2.735 0.950 12.556 1.00 32.22 H new ATOM 0 HD12 LEU A 36 -3.863 1.630 13.754 1.00 32.22 H new ATOM 0 HD13 LEU A 36 -3.382 2.594 12.337 1.00 32.22 H new ATOM 0 HD21 LEU A 36 -0.409 1.713 12.412 1.00 33.41 H new ATOM 0 HD22 LEU A 36 -0.850 3.426 12.213 1.00 33.41 H new ATOM 0 HD23 LEU A 36 0.232 2.934 13.538 1.00 33.41 H new ATOM 578 N LYS A 37 -5.254 4.043 15.104 1.00 42.21 N ATOM 579 CA LYS A 37 -6.708 3.811 14.887 1.00 71.21 C ATOM 580 C LYS A 37 -7.038 3.753 13.375 1.00 40.21 C ATOM 581 O LYS A 37 -7.967 3.047 12.950 1.00 20.03 O ATOM 582 CB LYS A 37 -7.525 4.935 15.578 1.00 72.11 C ATOM 583 CG LYS A 37 -9.060 4.734 15.540 1.00 4.04 C ATOM 584 CD LYS A 37 -9.850 5.958 16.052 1.00 52.24 C ATOM 585 CE LYS A 37 -9.622 7.211 15.184 1.00 54.13 C ATOM 586 NZ LYS A 37 -10.446 8.362 15.623 1.00 41.53 N ATOM 0 H LYS A 37 -4.902 4.881 14.641 1.00 42.21 H new ATOM 0 HA LYS A 37 -6.979 2.851 15.326 1.00 71.21 H new ATOM 0 HB2 LYS A 37 -7.207 5.010 16.618 1.00 72.11 H new ATOM 0 HB3 LYS A 37 -7.285 5.886 15.102 1.00 72.11 H new ATOM 0 HG2 LYS A 37 -9.365 4.515 14.517 1.00 4.04 H new ATOM 0 HG3 LYS A 37 -9.320 3.864 16.143 1.00 4.04 H new ATOM 0 HD2 LYS A 37 -10.913 5.719 16.068 1.00 52.24 H new ATOM 0 HD3 LYS A 37 -9.556 6.173 17.079 1.00 52.24 H new ATOM 0 HE2 LYS A 37 -8.568 7.488 15.220 1.00 54.13 H new ATOM 0 HE3 LYS A 37 -9.854 6.977 14.145 1.00 54.13 H new ATOM 0 HZ1 LYS A 37 -10.257 9.179 15.008 1.00 41.53 H new ATOM 0 HZ2 LYS A 37 -11.453 8.110 15.564 1.00 41.53 H new ATOM 0 HZ3 LYS A 37 -10.207 8.605 16.606 1.00 41.53 H new ATOM 600 N ALA A 38 -6.265 4.499 12.568 1.00 62.21 N ATOM 601 CA ALA A 38 -6.435 4.552 11.101 1.00 4.43 C ATOM 602 C ALA A 38 -5.628 3.432 10.393 1.00 12.13 C ATOM 603 O ALA A 38 -4.393 3.470 10.354 1.00 71.04 O ATOM 604 CB ALA A 38 -6.023 5.939 10.570 1.00 13.32 C ATOM 0 H ALA A 38 -5.503 5.084 12.912 1.00 62.21 H new ATOM 0 HA ALA A 38 -7.489 4.386 10.877 1.00 4.43 H new ATOM 0 HB1 ALA A 38 -6.152 5.967 9.488 1.00 13.32 H new ATOM 0 HB2 ALA A 38 -6.647 6.705 11.030 1.00 13.32 H new ATOM 0 HB3 ALA A 38 -4.978 6.127 10.816 1.00 13.32 H new ATOM 610 N ASP A 39 -6.353 2.434 9.855 1.00 40.41 N ATOM 611 CA ASP A 39 -5.797 1.385 8.952 1.00 12.21 C ATOM 612 C ASP A 39 -5.162 1.991 7.672 1.00 32.32 C ATOM 613 O ASP A 39 -4.305 1.368 7.048 1.00 42.32 O ATOM 614 CB ASP A 39 -6.900 0.362 8.589 1.00 31.33 C ATOM 615 CG ASP A 39 -8.192 1.043 8.116 1.00 15.13 C ATOM 616 OD1 ASP A 39 -9.054 1.345 8.967 1.00 53.12 O ATOM 617 OD2 ASP A 39 -8.345 1.300 6.907 1.00 0.33 O ATOM 0 H ASP A 39 -7.352 2.324 10.031 1.00 40.41 H new ATOM 0 HA ASP A 39 -4.998 0.874 9.488 1.00 12.21 H new ATOM 0 HB2 ASP A 39 -6.534 -0.302 7.806 1.00 31.33 H new ATOM 0 HB3 ASP A 39 -7.116 -0.260 9.458 1.00 31.33 H new ATOM 622 N LYS A 40 -5.619 3.200 7.299 1.00 51.42 N ATOM 623 CA LYS A 40 -5.054 4.000 6.180 1.00 13.30 C ATOM 624 C LYS A 40 -3.513 4.169 6.304 1.00 63.45 C ATOM 625 O LYS A 40 -2.788 4.018 5.320 1.00 10.13 O ATOM 626 CB LYS A 40 -5.737 5.392 6.150 1.00 63.13 C ATOM 627 CG LYS A 40 -7.271 5.355 5.949 1.00 12.13 C ATOM 628 CD LYS A 40 -7.683 4.912 4.525 1.00 30.44 C ATOM 629 CE LYS A 40 -9.210 4.931 4.318 1.00 65.53 C ATOM 630 NZ LYS A 40 -9.571 4.760 2.889 1.00 21.12 N ATOM 0 H LYS A 40 -6.400 3.660 7.767 1.00 51.42 H new ATOM 0 HA LYS A 40 -5.249 3.465 5.251 1.00 13.30 H new ATOM 0 HB2 LYS A 40 -5.519 5.909 7.085 1.00 63.13 H new ATOM 0 HB3 LYS A 40 -5.293 5.982 5.348 1.00 63.13 H new ATOM 0 HG2 LYS A 40 -7.711 4.674 6.677 1.00 12.13 H new ATOM 0 HG3 LYS A 40 -7.682 6.344 6.149 1.00 12.13 H new ATOM 0 HD2 LYS A 40 -7.213 5.569 3.794 1.00 30.44 H new ATOM 0 HD3 LYS A 40 -7.307 3.906 4.338 1.00 30.44 H new ATOM 0 HE2 LYS A 40 -9.667 4.136 4.907 1.00 65.53 H new ATOM 0 HE3 LYS A 40 -9.616 5.873 4.686 1.00 65.53 H new ATOM 0 HZ1 LYS A 40 -10.606 4.778 2.788 1.00 21.12 H new ATOM 0 HZ2 LYS A 40 -9.155 5.533 2.331 1.00 21.12 H new ATOM 0 HZ3 LYS A 40 -9.205 3.849 2.545 1.00 21.12 H new ATOM 644 N ASP A 41 -3.039 4.446 7.536 1.00 44.34 N ATOM 645 CA ASP A 41 -1.594 4.557 7.859 1.00 35.11 C ATOM 646 C ASP A 41 -0.908 3.171 7.830 1.00 34.44 C ATOM 647 O ASP A 41 0.251 3.040 7.408 1.00 41.25 O ATOM 648 CB ASP A 41 -1.418 5.209 9.253 1.00 40.10 C ATOM 649 CG ASP A 41 -1.878 6.675 9.276 1.00 43.13 C ATOM 650 OD1 ASP A 41 -3.097 6.930 9.165 1.00 22.24 O ATOM 651 OD2 ASP A 41 -1.028 7.582 9.419 1.00 4.54 O ATOM 0 H ASP A 41 -3.647 4.600 8.341 1.00 44.34 H new ATOM 0 HA ASP A 41 -1.120 5.183 7.103 1.00 35.11 H new ATOM 0 HB2 ASP A 41 -1.985 4.641 9.991 1.00 40.10 H new ATOM 0 HB3 ASP A 41 -0.370 5.155 9.547 1.00 40.10 H new ATOM 656 N PHE A 42 -1.652 2.147 8.286 1.00 24.13 N ATOM 657 CA PHE A 42 -1.202 0.738 8.279 1.00 71.12 C ATOM 658 C PHE A 42 -0.867 0.237 6.844 1.00 14.23 C ATOM 659 O PHE A 42 0.092 -0.504 6.668 1.00 41.21 O ATOM 660 CB PHE A 42 -2.277 -0.172 8.954 1.00 1.13 C ATOM 661 CG PHE A 42 -2.107 -1.666 8.688 1.00 3.12 C ATOM 662 CD1 PHE A 42 -1.098 -2.385 9.312 1.00 51.43 C ATOM 663 CD2 PHE A 42 -2.940 -2.342 7.787 1.00 30.00 C ATOM 664 CE1 PHE A 42 -0.924 -3.724 9.054 1.00 72.35 C ATOM 665 CE2 PHE A 42 -2.763 -3.687 7.535 1.00 60.33 C ATOM 666 CZ PHE A 42 -1.754 -4.376 8.171 1.00 31.22 C ATOM 0 H PHE A 42 -2.588 2.272 8.672 1.00 24.13 H new ATOM 0 HA PHE A 42 -0.279 0.681 8.855 1.00 71.12 H new ATOM 0 HB2 PHE A 42 -2.252 -0.003 10.031 1.00 1.13 H new ATOM 0 HB3 PHE A 42 -3.263 0.135 8.606 1.00 1.13 H new ATOM 0 HD1 PHE A 42 -0.441 -1.887 10.009 1.00 51.43 H new ATOM 0 HD2 PHE A 42 -3.730 -1.804 7.284 1.00 30.00 H new ATOM 0 HE1 PHE A 42 -0.131 -4.267 9.547 1.00 72.35 H new ATOM 0 HE2 PHE A 42 -3.414 -4.198 6.841 1.00 60.33 H new ATOM 0 HZ PHE A 42 -1.614 -5.429 7.976 1.00 31.22 H new ATOM 676 N PHE A 43 -1.665 0.636 5.833 1.00 52.51 N ATOM 677 CA PHE A 43 -1.450 0.209 4.419 1.00 22.42 C ATOM 678 C PHE A 43 -0.136 0.793 3.831 1.00 4.23 C ATOM 679 O PHE A 43 0.554 0.125 3.051 1.00 55.41 O ATOM 680 CB PHE A 43 -2.671 0.602 3.538 1.00 22.22 C ATOM 681 CG PHE A 43 -3.987 -0.062 3.958 1.00 21.13 C ATOM 682 CD1 PHE A 43 -4.072 -1.449 4.092 1.00 45.23 C ATOM 683 CD2 PHE A 43 -5.128 0.692 4.229 1.00 71.00 C ATOM 684 CE1 PHE A 43 -5.251 -2.055 4.484 1.00 55.22 C ATOM 685 CE2 PHE A 43 -6.305 0.085 4.621 1.00 13.42 C ATOM 686 CZ PHE A 43 -6.367 -1.289 4.750 1.00 11.53 C ATOM 0 H PHE A 43 -2.467 1.254 5.961 1.00 52.51 H new ATOM 0 HA PHE A 43 -1.352 -0.877 4.416 1.00 22.42 H new ATOM 0 HB2 PHE A 43 -2.796 1.684 3.572 1.00 22.22 H new ATOM 0 HB3 PHE A 43 -2.458 0.338 2.502 1.00 22.22 H new ATOM 0 HD1 PHE A 43 -3.204 -2.058 3.886 1.00 45.23 H new ATOM 0 HD2 PHE A 43 -5.091 1.767 4.131 1.00 71.00 H new ATOM 0 HE1 PHE A 43 -5.298 -3.129 4.582 1.00 55.22 H new ATOM 0 HE2 PHE A 43 -7.179 0.686 4.827 1.00 13.42 H new ATOM 0 HZ PHE A 43 -7.287 -1.763 5.058 1.00 11.53 H new ATOM 696 N LEU A 44 0.196 2.041 4.222 1.00 52.34 N ATOM 697 CA LEU A 44 1.481 2.704 3.863 1.00 34.03 C ATOM 698 C LEU A 44 2.694 1.958 4.488 1.00 43.32 C ATOM 699 O LEU A 44 3.707 1.721 3.815 1.00 44.30 O ATOM 700 CB LEU A 44 1.463 4.204 4.315 1.00 2.22 C ATOM 701 CG LEU A 44 0.760 5.228 3.354 1.00 34.01 C ATOM 702 CD1 LEU A 44 -0.703 4.846 3.033 1.00 21.22 C ATOM 703 CD2 LEU A 44 0.855 6.670 3.919 1.00 33.25 C ATOM 0 H LEU A 44 -0.415 2.623 4.796 1.00 52.34 H new ATOM 0 HA LEU A 44 1.590 2.666 2.779 1.00 34.03 H new ATOM 0 HB2 LEU A 44 0.973 4.259 5.287 1.00 2.22 H new ATOM 0 HB3 LEU A 44 2.494 4.527 4.459 1.00 2.22 H new ATOM 0 HG LEU A 44 1.299 5.191 2.407 1.00 34.01 H new ATOM 0 HD11 LEU A 44 -1.135 5.591 2.365 1.00 21.22 H new ATOM 0 HD12 LEU A 44 -0.726 3.869 2.551 1.00 21.22 H new ATOM 0 HD13 LEU A 44 -1.280 4.808 3.957 1.00 21.22 H new ATOM 0 HD21 LEU A 44 0.361 7.362 3.236 1.00 33.25 H new ATOM 0 HD22 LEU A 44 0.368 6.712 4.893 1.00 33.25 H new ATOM 0 HD23 LEU A 44 1.903 6.951 4.025 1.00 33.25 H new ATOM 715 N GLY A 45 2.560 1.586 5.777 1.00 74.41 N ATOM 716 CA GLY A 45 3.613 0.861 6.503 1.00 33.24 C ATOM 717 C GLY A 45 3.822 -0.579 6.015 1.00 11.44 C ATOM 718 O GLY A 45 4.942 -0.982 5.715 1.00 10.30 O ATOM 0 H GLY A 45 1.728 1.778 6.335 1.00 74.41 H new ATOM 0 HA2 GLY A 45 4.551 1.408 6.406 1.00 33.24 H new ATOM 0 HA3 GLY A 45 3.363 0.843 7.564 1.00 33.24 H new ATOM 722 N LEU A 46 2.715 -1.337 5.899 1.00 43.30 N ATOM 723 CA LEU A 46 2.732 -2.759 5.466 1.00 23.21 C ATOM 724 C LEU A 46 3.220 -2.896 4.002 1.00 43.24 C ATOM 725 O LEU A 46 3.896 -3.865 3.642 1.00 75.51 O ATOM 726 CB LEU A 46 1.320 -3.398 5.600 1.00 1.30 C ATOM 727 CG LEU A 46 1.244 -4.917 5.242 1.00 25.04 C ATOM 728 CD1 LEU A 46 2.067 -5.761 6.239 1.00 24.43 C ATOM 729 CD2 LEU A 46 -0.216 -5.414 5.119 1.00 52.32 C ATOM 0 H LEU A 46 1.779 -0.986 6.102 1.00 43.30 H new ATOM 0 HA LEU A 46 3.428 -3.286 6.119 1.00 23.21 H new ATOM 0 HB2 LEU A 46 0.973 -3.264 6.625 1.00 1.30 H new ATOM 0 HB3 LEU A 46 0.629 -2.854 4.956 1.00 1.30 H new ATOM 0 HG LEU A 46 1.692 -5.046 4.257 1.00 25.04 H new ATOM 0 HD11 LEU A 46 1.998 -6.814 5.968 1.00 24.43 H new ATOM 0 HD12 LEU A 46 3.110 -5.446 6.208 1.00 24.43 H new ATOM 0 HD13 LEU A 46 1.675 -5.619 7.246 1.00 24.43 H new ATOM 0 HD21 LEU A 46 -0.219 -6.475 4.869 1.00 52.32 H new ATOM 0 HD22 LEU A 46 -0.733 -5.263 6.067 1.00 52.32 H new ATOM 0 HD23 LEU A 46 -0.726 -4.855 4.334 1.00 52.32 H new ATOM 741 N GLY A 47 2.873 -1.894 3.181 1.00 71.22 N ATOM 742 CA GLY A 47 3.327 -1.812 1.783 1.00 34.11 C ATOM 743 C GLY A 47 4.846 -1.673 1.676 1.00 64.00 C ATOM 744 O GLY A 47 5.470 -2.147 0.715 1.00 62.13 O ATOM 0 H GLY A 47 2.272 -1.120 3.465 1.00 71.22 H new ATOM 0 HA2 GLY A 47 3.007 -2.705 1.246 1.00 34.11 H new ATOM 0 HA3 GLY A 47 2.851 -0.960 1.298 1.00 34.11 H new ATOM 748 N TRP A 48 5.440 -1.020 2.694 1.00 15.05 N ATOM 749 CA TRP A 48 6.897 -0.865 2.808 1.00 62.11 C ATOM 750 C TRP A 48 7.566 -2.182 3.312 1.00 14.33 C ATOM 751 O TRP A 48 8.723 -2.478 2.978 1.00 62.53 O ATOM 752 CB TRP A 48 7.253 0.331 3.728 1.00 13.23 C ATOM 753 CG TRP A 48 8.616 0.896 3.427 1.00 20.30 C ATOM 754 CD1 TRP A 48 9.821 0.464 3.899 1.00 12.24 C ATOM 755 CD2 TRP A 48 8.896 1.975 2.533 1.00 22.13 C ATOM 756 NE1 TRP A 48 10.832 1.211 3.347 1.00 22.03 N ATOM 757 CE2 TRP A 48 10.287 2.151 2.516 1.00 2.03 C ATOM 758 CE3 TRP A 48 8.095 2.811 1.746 1.00 21.32 C ATOM 759 CZ2 TRP A 48 10.900 3.126 1.745 1.00 61.24 C ATOM 760 CZ3 TRP A 48 8.705 3.782 0.981 1.00 22.33 C ATOM 761 CH2 TRP A 48 10.098 3.930 0.986 1.00 2.43 C ATOM 0 H TRP A 48 4.921 -0.587 3.458 1.00 15.05 H new ATOM 0 HA TRP A 48 7.292 -0.654 1.814 1.00 62.11 H new ATOM 0 HB2 TRP A 48 6.503 1.113 3.610 1.00 13.23 H new ATOM 0 HB3 TRP A 48 7.217 0.010 4.769 1.00 13.23 H new ATOM 0 HD1 TRP A 48 9.959 -0.345 4.602 1.00 12.24 H new ATOM 0 HE1 TRP A 48 11.828 1.085 3.527 1.00 22.03 H new ATOM 0 HE3 TRP A 48 7.021 2.697 1.738 1.00 21.32 H new ATOM 0 HZ2 TRP A 48 11.973 3.246 1.744 1.00 61.24 H new ATOM 0 HZ3 TRP A 48 8.101 4.437 0.370 1.00 22.33 H new ATOM 0 HH2 TRP A 48 10.549 4.698 0.375 1.00 2.43 H new ATOM 772 N LEU A 49 6.831 -2.962 4.123 1.00 2.50 N ATOM 773 CA LEU A 49 7.251 -4.330 4.533 1.00 14.45 C ATOM 774 C LEU A 49 7.310 -5.278 3.310 1.00 20.24 C ATOM 775 O LEU A 49 8.196 -6.126 3.215 1.00 42.35 O ATOM 776 CB LEU A 49 6.291 -4.901 5.627 1.00 71.21 C ATOM 777 CG LEU A 49 6.570 -4.493 7.109 1.00 71.42 C ATOM 778 CD1 LEU A 49 6.807 -3.002 7.244 1.00 63.11 C ATOM 779 CD2 LEU A 49 5.415 -4.935 8.034 1.00 34.32 C ATOM 0 H LEU A 49 5.935 -2.673 4.515 1.00 2.50 H new ATOM 0 HA LEU A 49 8.252 -4.262 4.959 1.00 14.45 H new ATOM 0 HB2 LEU A 49 5.275 -4.594 5.378 1.00 71.21 H new ATOM 0 HB3 LEU A 49 6.319 -5.989 5.566 1.00 71.21 H new ATOM 0 HG LEU A 49 7.480 -5.008 7.417 1.00 71.42 H new ATOM 0 HD11 LEU A 49 6.997 -2.757 8.289 1.00 63.11 H new ATOM 0 HD12 LEU A 49 7.668 -2.714 6.641 1.00 63.11 H new ATOM 0 HD13 LEU A 49 5.926 -2.461 6.899 1.00 63.11 H new ATOM 0 HD21 LEU A 49 5.636 -4.638 9.059 1.00 34.32 H new ATOM 0 HD22 LEU A 49 4.488 -4.461 7.711 1.00 34.32 H new ATOM 0 HD23 LEU A 49 5.304 -6.018 7.986 1.00 34.32 H new ATOM 791 N LEU A 50 6.361 -5.109 2.377 1.00 52.32 N ATOM 792 CA LEU A 50 6.316 -5.893 1.124 1.00 11.53 C ATOM 793 C LEU A 50 7.522 -5.567 0.202 1.00 63.34 C ATOM 794 O LEU A 50 8.164 -6.480 -0.323 1.00 44.15 O ATOM 795 CB LEU A 50 4.973 -5.648 0.378 1.00 22.03 C ATOM 796 CG LEU A 50 3.684 -6.186 1.086 1.00 41.35 C ATOM 797 CD1 LEU A 50 2.402 -5.800 0.305 1.00 22.31 C ATOM 798 CD2 LEU A 50 3.768 -7.717 1.312 1.00 13.25 C ATOM 0 H LEU A 50 5.605 -4.430 2.465 1.00 52.32 H new ATOM 0 HA LEU A 50 6.382 -6.948 1.390 1.00 11.53 H new ATOM 0 HB2 LEU A 50 4.857 -4.575 0.223 1.00 22.03 H new ATOM 0 HB3 LEU A 50 5.040 -6.107 -0.608 1.00 22.03 H new ATOM 0 HG LEU A 50 3.623 -5.709 2.064 1.00 41.35 H new ATOM 0 HD11 LEU A 50 1.527 -6.190 0.826 1.00 22.31 H new ATOM 0 HD12 LEU A 50 2.330 -4.714 0.238 1.00 22.31 H new ATOM 0 HD13 LEU A 50 2.446 -6.224 -0.698 1.00 22.31 H new ATOM 0 HD21 LEU A 50 2.859 -8.062 1.805 1.00 13.25 H new ATOM 0 HD22 LEU A 50 3.874 -8.221 0.351 1.00 13.25 H new ATOM 0 HD23 LEU A 50 4.630 -7.946 1.939 1.00 13.25 H new ATOM 810 N ARG A 51 7.848 -4.263 0.037 1.00 13.13 N ATOM 811 CA ARG A 51 8.916 -3.821 -0.903 1.00 21.34 C ATOM 812 C ARG A 51 10.342 -4.290 -0.504 1.00 15.33 C ATOM 813 O ARG A 51 11.225 -4.370 -1.367 1.00 3.01 O ATOM 814 CB ARG A 51 8.845 -2.280 -1.147 1.00 53.33 C ATOM 815 CG ARG A 51 9.081 -1.323 0.050 1.00 71.42 C ATOM 816 CD ARG A 51 10.557 -1.004 0.362 1.00 41.23 C ATOM 817 NE ARG A 51 11.207 -0.193 -0.679 1.00 11.12 N ATOM 818 CZ ARG A 51 12.499 0.070 -0.741 1.00 1.24 C ATOM 819 NH1 ARG A 51 13.331 -0.396 0.146 1.00 51.10 N ATOM 820 NH2 ARG A 51 12.950 0.795 -1.707 1.00 12.32 N ATOM 0 H ARG A 51 7.392 -3.500 0.537 1.00 13.13 H new ATOM 0 HA ARG A 51 8.715 -4.323 -1.849 1.00 21.34 H new ATOM 0 HB2 ARG A 51 9.577 -2.033 -1.916 1.00 53.33 H new ATOM 0 HB3 ARG A 51 7.861 -2.056 -1.560 1.00 53.33 H new ATOM 0 HG2 ARG A 51 8.559 -0.387 -0.147 1.00 71.42 H new ATOM 0 HG3 ARG A 51 8.626 -1.761 0.938 1.00 71.42 H new ATOM 0 HD2 ARG A 51 10.615 -0.476 1.314 1.00 41.23 H new ATOM 0 HD3 ARG A 51 11.106 -1.938 0.482 1.00 41.23 H new ATOM 0 HE ARG A 51 10.613 0.197 -1.410 1.00 11.12 H new ATOM 0 HH11 ARG A 51 12.988 -0.978 0.910 1.00 51.10 H new ATOM 0 HH12 ARG A 51 14.325 -0.179 0.076 1.00 51.10 H new ATOM 0 HH21 ARG A 51 12.310 1.159 -2.413 1.00 12.32 H new ATOM 0 HH22 ARG A 51 13.947 1.005 -1.765 1.00 12.32 H new ATOM 834 N GLU A 52 10.568 -4.597 0.794 1.00 35.01 N ATOM 835 CA GLU A 52 11.857 -5.188 1.263 1.00 14.42 C ATOM 836 C GLU A 52 11.742 -6.719 1.486 1.00 1.15 C ATOM 837 O GLU A 52 12.737 -7.365 1.847 1.00 12.43 O ATOM 838 CB GLU A 52 12.353 -4.505 2.571 1.00 42.30 C ATOM 839 CG GLU A 52 12.535 -2.980 2.488 1.00 55.00 C ATOM 840 CD GLU A 52 13.332 -2.382 3.664 1.00 64.04 C ATOM 841 OE1 GLU A 52 12.914 -2.550 4.824 1.00 54.33 O ATOM 842 OE2 GLU A 52 14.379 -1.737 3.428 1.00 42.54 O ATOM 0 H GLU A 52 9.884 -4.449 1.536 1.00 35.01 H new ATOM 0 HA GLU A 52 12.586 -5.008 0.473 1.00 14.42 H new ATOM 0 HB2 GLU A 52 11.644 -4.727 3.369 1.00 42.30 H new ATOM 0 HB3 GLU A 52 13.305 -4.953 2.857 1.00 42.30 H new ATOM 0 HG2 GLU A 52 13.043 -2.735 1.555 1.00 55.00 H new ATOM 0 HG3 GLU A 52 11.553 -2.508 2.450 1.00 55.00 H new ATOM 849 N ASP A 53 10.517 -7.271 1.303 1.00 5.00 N ATOM 850 CA ASP A 53 10.209 -8.713 1.476 1.00 43.32 C ATOM 851 C ASP A 53 10.463 -9.146 2.946 1.00 72.02 C ATOM 852 O ASP A 53 11.079 -10.166 3.231 1.00 42.13 O ATOM 853 CB ASP A 53 10.983 -9.587 0.435 1.00 73.34 C ATOM 854 CG ASP A 53 10.526 -11.058 0.409 1.00 44.01 C ATOM 855 OD1 ASP A 53 9.345 -11.311 0.080 1.00 2.02 O ATOM 856 OD2 ASP A 53 11.335 -11.967 0.712 1.00 70.02 O ATOM 0 H ASP A 53 9.704 -6.720 1.027 1.00 5.00 H new ATOM 0 HA ASP A 53 9.150 -8.877 1.275 1.00 43.32 H new ATOM 0 HB2 ASP A 53 10.853 -9.156 -0.558 1.00 73.34 H new ATOM 0 HB3 ASP A 53 12.049 -9.550 0.661 1.00 73.34 H new ATOM 861 N LYS A 54 9.970 -8.314 3.872 1.00 10.51 N ATOM 862 CA LYS A 54 10.108 -8.528 5.330 1.00 21.53 C ATOM 863 C LYS A 54 9.005 -9.465 5.861 1.00 1.53 C ATOM 864 O LYS A 54 9.178 -10.132 6.888 1.00 30.21 O ATOM 865 CB LYS A 54 10.016 -7.174 6.090 1.00 25.53 C ATOM 866 CG LYS A 54 10.756 -6.004 5.422 1.00 24.22 C ATOM 867 CD LYS A 54 10.855 -4.740 6.315 1.00 12.03 C ATOM 868 CE LYS A 54 11.967 -4.849 7.374 1.00 51.33 C ATOM 869 NZ LYS A 54 13.311 -4.974 6.742 1.00 73.15 N ATOM 0 H LYS A 54 9.459 -7.464 3.635 1.00 10.51 H new ATOM 0 HA LYS A 54 11.083 -8.985 5.501 1.00 21.53 H new ATOM 0 HB2 LYS A 54 8.965 -6.906 6.198 1.00 25.53 H new ATOM 0 HB3 LYS A 54 10.415 -7.311 7.095 1.00 25.53 H new ATOM 0 HG2 LYS A 54 11.761 -6.328 5.152 1.00 24.22 H new ATOM 0 HG3 LYS A 54 10.245 -5.744 4.495 1.00 24.22 H new ATOM 0 HD2 LYS A 54 11.041 -3.869 5.686 1.00 12.03 H new ATOM 0 HD3 LYS A 54 9.899 -4.575 6.813 1.00 12.03 H new ATOM 0 HE2 LYS A 54 11.946 -3.969 8.017 1.00 51.33 H new ATOM 0 HE3 LYS A 54 11.781 -5.714 8.011 1.00 51.33 H new ATOM 0 HZ1 LYS A 54 14.045 -4.725 7.435 1.00 73.15 H new ATOM 0 HZ2 LYS A 54 13.454 -5.953 6.422 1.00 73.15 H new ATOM 0 HZ3 LYS A 54 13.373 -4.331 5.927 1.00 73.15 H new ATOM 883 N VAL A 55 7.858 -9.485 5.143 1.00 33.40 N ATOM 884 CA VAL A 55 6.621 -10.168 5.591 1.00 44.42 C ATOM 885 C VAL A 55 5.970 -11.031 4.488 1.00 75.05 C ATOM 886 O VAL A 55 6.191 -10.817 3.293 1.00 51.44 O ATOM 887 CB VAL A 55 5.547 -9.137 6.111 1.00 23.50 C ATOM 888 CG1 VAL A 55 6.061 -8.381 7.356 1.00 54.10 C ATOM 889 CG2 VAL A 55 5.086 -8.170 4.987 1.00 64.22 C ATOM 0 H VAL A 55 7.764 -9.028 4.236 1.00 33.40 H new ATOM 0 HA VAL A 55 6.938 -10.824 6.402 1.00 44.42 H new ATOM 0 HB VAL A 55 4.665 -9.701 6.416 1.00 23.50 H new ATOM 0 HG11 VAL A 55 5.301 -7.677 7.694 1.00 54.10 H new ATOM 0 HG12 VAL A 55 6.274 -9.094 8.152 1.00 54.10 H new ATOM 0 HG13 VAL A 55 6.971 -7.838 7.102 1.00 54.10 H new ATOM 0 HG21 VAL A 55 4.346 -7.476 5.385 1.00 64.22 H new ATOM 0 HG22 VAL A 55 5.944 -7.611 4.613 1.00 64.22 H new ATOM 0 HG23 VAL A 55 4.644 -8.743 4.172 1.00 64.22 H new ATOM 899 N VAL A 56 5.145 -12.000 4.933 1.00 11.55 N ATOM 900 CA VAL A 56 4.263 -12.805 4.067 1.00 72.23 C ATOM 901 C VAL A 56 2.777 -12.629 4.487 1.00 2.22 C ATOM 902 O VAL A 56 2.442 -12.633 5.677 1.00 14.11 O ATOM 903 CB VAL A 56 4.679 -14.333 4.058 1.00 11.42 C ATOM 904 CG1 VAL A 56 4.654 -14.951 5.481 1.00 61.20 C ATOM 905 CG2 VAL A 56 3.820 -15.158 3.054 1.00 0.13 C ATOM 0 H VAL A 56 5.072 -12.248 5.920 1.00 11.55 H new ATOM 0 HA VAL A 56 4.377 -12.439 3.047 1.00 72.23 H new ATOM 0 HB VAL A 56 5.712 -14.379 3.712 1.00 11.42 H new ATOM 0 HG11 VAL A 56 4.946 -16.000 5.427 1.00 61.20 H new ATOM 0 HG12 VAL A 56 5.351 -14.413 6.124 1.00 61.20 H new ATOM 0 HG13 VAL A 56 3.648 -14.875 5.893 1.00 61.20 H new ATOM 0 HG21 VAL A 56 4.135 -16.201 3.077 1.00 0.13 H new ATOM 0 HG22 VAL A 56 2.769 -15.091 3.334 1.00 0.13 H new ATOM 0 HG23 VAL A 56 3.954 -14.760 2.048 1.00 0.13 H new ATOM 915 N THR A 57 1.900 -12.460 3.482 1.00 11.01 N ATOM 916 CA THR A 57 0.452 -12.236 3.678 1.00 12.34 C ATOM 917 C THR A 57 -0.345 -13.536 3.396 1.00 25.14 C ATOM 918 O THR A 57 -0.115 -14.219 2.389 1.00 73.20 O ATOM 919 CB THR A 57 -0.066 -11.096 2.731 1.00 42.12 C ATOM 920 OG1 THR A 57 0.256 -11.417 1.367 1.00 13.13 O ATOM 921 CG2 THR A 57 0.534 -9.718 3.082 1.00 4.11 C ATOM 0 H THR A 57 2.177 -12.475 2.500 1.00 11.01 H new ATOM 0 HA THR A 57 0.299 -11.938 4.715 1.00 12.34 H new ATOM 0 HB THR A 57 -1.146 -11.031 2.866 1.00 42.12 H new ATOM 0 HG1 THR A 57 0.829 -10.716 0.992 1.00 13.13 H new ATOM 0 HG21 THR A 57 0.143 -8.966 2.397 1.00 4.11 H new ATOM 0 HG22 THR A 57 0.264 -9.453 4.104 1.00 4.11 H new ATOM 0 HG23 THR A 57 1.620 -9.760 2.993 1.00 4.11 H new ATOM 929 N SER A 58 -1.285 -13.847 4.293 1.00 64.42 N ATOM 930 CA SER A 58 -2.149 -15.053 4.231 1.00 51.11 C ATOM 931 C SER A 58 -3.633 -14.623 4.192 1.00 74.14 C ATOM 932 O SER A 58 -4.036 -13.690 4.899 1.00 71.23 O ATOM 933 CB SER A 58 -1.882 -15.964 5.460 1.00 75.54 C ATOM 934 OG SER A 58 -0.530 -16.409 5.496 1.00 33.34 O ATOM 0 H SER A 58 -1.479 -13.261 5.105 1.00 64.42 H new ATOM 0 HA SER A 58 -1.918 -15.617 3.327 1.00 51.11 H new ATOM 0 HB2 SER A 58 -2.111 -15.418 6.375 1.00 75.54 H new ATOM 0 HB3 SER A 58 -2.549 -16.826 5.427 1.00 75.54 H new ATOM 0 HG SER A 58 -0.394 -16.979 6.282 1.00 33.34 H new ATOM 940 N GLU A 59 -4.439 -15.313 3.369 1.00 71.03 N ATOM 941 CA GLU A 59 -5.862 -14.965 3.150 1.00 32.33 C ATOM 942 C GLU A 59 -6.778 -15.847 4.025 1.00 34.30 C ATOM 943 O GLU A 59 -6.979 -17.029 3.729 1.00 22.15 O ATOM 944 CB GLU A 59 -6.238 -15.147 1.651 1.00 13.23 C ATOM 945 CG GLU A 59 -7.680 -14.718 1.295 1.00 64.34 C ATOM 946 CD GLU A 59 -8.105 -15.130 -0.126 1.00 51.21 C ATOM 947 OE1 GLU A 59 -7.753 -14.429 -1.094 1.00 42.32 O ATOM 948 OE2 GLU A 59 -8.791 -16.166 -0.280 1.00 22.21 O ATOM 0 H GLU A 59 -4.129 -16.126 2.836 1.00 71.03 H new ATOM 0 HA GLU A 59 -6.004 -13.921 3.431 1.00 32.33 H new ATOM 0 HB2 GLU A 59 -5.541 -14.572 1.042 1.00 13.23 H new ATOM 0 HB3 GLU A 59 -6.107 -16.195 1.381 1.00 13.23 H new ATOM 0 HG2 GLU A 59 -8.370 -15.157 2.015 1.00 64.34 H new ATOM 0 HG3 GLU A 59 -7.764 -13.636 1.392 1.00 64.34 H new ATOM 955 N VAL A 60 -7.313 -15.269 5.117 1.00 4.25 N ATOM 956 CA VAL A 60 -8.309 -15.942 5.982 1.00 54.55 C ATOM 957 C VAL A 60 -9.650 -15.170 5.940 1.00 61.53 C ATOM 958 O VAL A 60 -9.764 -14.087 6.509 1.00 3.44 O ATOM 959 CB VAL A 60 -7.799 -16.072 7.470 1.00 22.11 C ATOM 960 CG1 VAL A 60 -8.910 -16.616 8.417 1.00 15.13 C ATOM 961 CG2 VAL A 60 -6.526 -16.956 7.533 1.00 21.33 C ATOM 0 H VAL A 60 -7.071 -14.328 5.426 1.00 4.25 H new ATOM 0 HA VAL A 60 -8.459 -16.951 5.598 1.00 54.55 H new ATOM 0 HB VAL A 60 -7.542 -15.073 7.821 1.00 22.11 H new ATOM 0 HG11 VAL A 60 -8.519 -16.691 9.432 1.00 15.13 H new ATOM 0 HG12 VAL A 60 -9.762 -15.937 8.406 1.00 15.13 H new ATOM 0 HG13 VAL A 60 -9.227 -17.602 8.077 1.00 15.13 H new ATOM 0 HG21 VAL A 60 -6.188 -17.035 8.566 1.00 21.33 H new ATOM 0 HG22 VAL A 60 -6.754 -17.950 7.149 1.00 21.33 H new ATOM 0 HG23 VAL A 60 -5.740 -16.505 6.928 1.00 21.33 H new ATOM 971 N GLU A 61 -10.648 -15.768 5.252 1.00 12.41 N ATOM 972 CA GLU A 61 -12.052 -15.278 5.179 1.00 43.31 C ATOM 973 C GLU A 61 -12.168 -13.778 4.776 1.00 22.34 C ATOM 974 O GLU A 61 -13.059 -13.056 5.243 1.00 3.31 O ATOM 975 CB GLU A 61 -12.788 -15.582 6.520 1.00 21.25 C ATOM 976 CG GLU A 61 -12.589 -17.028 7.021 1.00 62.50 C ATOM 977 CD GLU A 61 -13.579 -17.448 8.117 1.00 3.23 C ATOM 978 OE1 GLU A 61 -13.278 -17.257 9.313 1.00 45.44 O ATOM 979 OE2 GLU A 61 -14.658 -17.986 7.782 1.00 45.33 O ATOM 0 H GLU A 61 -10.501 -16.625 4.718 1.00 12.41 H new ATOM 0 HA GLU A 61 -12.544 -15.822 4.373 1.00 43.31 H new ATOM 0 HB2 GLU A 61 -12.434 -14.890 7.284 1.00 21.25 H new ATOM 0 HB3 GLU A 61 -13.854 -15.395 6.390 1.00 21.25 H new ATOM 0 HG2 GLU A 61 -12.685 -17.711 6.177 1.00 62.50 H new ATOM 0 HG3 GLU A 61 -11.573 -17.134 7.402 1.00 62.50 H new ATOM 986 N GLY A 62 -11.279 -13.338 3.863 1.00 13.44 N ATOM 987 CA GLY A 62 -11.217 -11.930 3.417 1.00 4.33 C ATOM 988 C GLY A 62 -10.299 -11.025 4.261 1.00 14.44 C ATOM 989 O GLY A 62 -9.831 -9.987 3.772 1.00 41.22 O ATOM 0 H GLY A 62 -10.589 -13.942 3.417 1.00 13.44 H new ATOM 0 HA2 GLY A 62 -10.876 -11.906 2.382 1.00 4.33 H new ATOM 0 HA3 GLY A 62 -12.225 -11.515 3.430 1.00 4.33 H new ATOM 993 N GLU A 63 -10.055 -11.409 5.527 1.00 42.51 N ATOM 994 CA GLU A 63 -9.204 -10.644 6.469 1.00 62.10 C ATOM 995 C GLU A 63 -7.709 -10.699 6.074 1.00 14.33 C ATOM 996 O GLU A 63 -7.190 -11.766 5.704 1.00 4.23 O ATOM 997 CB GLU A 63 -9.378 -11.206 7.912 1.00 50.20 C ATOM 998 CG GLU A 63 -10.819 -11.147 8.462 1.00 14.13 C ATOM 999 CD GLU A 63 -11.311 -9.711 8.722 1.00 23.23 C ATOM 1000 OE1 GLU A 63 -11.042 -9.169 9.816 1.00 43.00 O ATOM 1001 OE2 GLU A 63 -11.964 -9.112 7.838 1.00 32.00 O ATOM 0 H GLU A 63 -10.442 -12.262 5.931 1.00 42.51 H new ATOM 0 HA GLU A 63 -9.524 -9.603 6.429 1.00 62.10 H new ATOM 0 HB2 GLU A 63 -9.041 -12.243 7.926 1.00 50.20 H new ATOM 0 HB3 GLU A 63 -8.725 -10.650 8.584 1.00 50.20 H new ATOM 0 HG2 GLU A 63 -11.491 -11.632 7.754 1.00 14.13 H new ATOM 0 HG3 GLU A 63 -10.870 -11.715 9.391 1.00 14.13 H new ATOM 1008 N ILE A 64 -7.030 -9.541 6.160 1.00 4.44 N ATOM 1009 CA ILE A 64 -5.575 -9.453 5.953 1.00 75.14 C ATOM 1010 C ILE A 64 -4.845 -10.004 7.199 1.00 72.33 C ATOM 1011 O ILE A 64 -4.665 -9.285 8.186 1.00 31.22 O ATOM 1012 CB ILE A 64 -5.115 -7.964 5.683 1.00 54.12 C ATOM 1013 CG1 ILE A 64 -5.905 -7.345 4.485 1.00 11.05 C ATOM 1014 CG2 ILE A 64 -3.577 -7.866 5.457 1.00 64.31 C ATOM 1015 CD1 ILE A 64 -5.591 -5.879 4.193 1.00 43.03 C ATOM 0 H ILE A 64 -7.471 -8.647 6.373 1.00 4.44 H new ATOM 0 HA ILE A 64 -5.320 -10.047 5.075 1.00 75.14 H new ATOM 0 HB ILE A 64 -5.345 -7.383 6.576 1.00 54.12 H new ATOM 0 HG12 ILE A 64 -5.696 -7.931 3.590 1.00 11.05 H new ATOM 0 HG13 ILE A 64 -6.972 -7.439 4.686 1.00 11.05 H new ATOM 0 HG21 ILE A 64 -3.301 -6.827 5.275 1.00 64.31 H new ATOM 0 HG22 ILE A 64 -3.055 -8.230 6.342 1.00 64.31 H new ATOM 0 HG23 ILE A 64 -3.296 -8.472 4.596 1.00 64.31 H new ATOM 0 HD11 ILE A 64 -6.188 -5.541 3.346 1.00 43.03 H new ATOM 0 HD12 ILE A 64 -5.828 -5.275 5.069 1.00 43.03 H new ATOM 0 HD13 ILE A 64 -4.532 -5.774 3.956 1.00 43.03 H new ATOM 1027 N PHE A 65 -4.482 -11.292 7.156 1.00 5.54 N ATOM 1028 CA PHE A 65 -3.658 -11.941 8.197 1.00 53.04 C ATOM 1029 C PHE A 65 -2.200 -11.983 7.710 1.00 32.11 C ATOM 1030 O PHE A 65 -1.838 -12.820 6.887 1.00 52.43 O ATOM 1031 CB PHE A 65 -4.196 -13.375 8.500 1.00 73.21 C ATOM 1032 CG PHE A 65 -3.396 -14.150 9.562 1.00 51.15 C ATOM 1033 CD1 PHE A 65 -3.610 -13.925 10.922 1.00 40.11 C ATOM 1034 CD2 PHE A 65 -2.419 -15.091 9.202 1.00 53.14 C ATOM 1035 CE1 PHE A 65 -2.883 -14.609 11.878 1.00 21.32 C ATOM 1036 CE2 PHE A 65 -1.691 -15.771 10.162 1.00 34.43 C ATOM 1037 CZ PHE A 65 -1.923 -15.530 11.501 1.00 34.13 C ATOM 0 H PHE A 65 -4.750 -11.920 6.398 1.00 5.54 H new ATOM 0 HA PHE A 65 -3.710 -11.372 9.125 1.00 53.04 H new ATOM 0 HB2 PHE A 65 -5.232 -13.298 8.830 1.00 73.21 H new ATOM 0 HB3 PHE A 65 -4.198 -13.951 7.574 1.00 73.21 H new ATOM 0 HD1 PHE A 65 -4.354 -13.206 11.232 1.00 40.11 H new ATOM 0 HD2 PHE A 65 -2.232 -15.288 8.157 1.00 53.14 H new ATOM 0 HE1 PHE A 65 -3.066 -14.423 12.926 1.00 21.32 H new ATOM 0 HE2 PHE A 65 -0.942 -16.490 9.864 1.00 34.43 H new ATOM 0 HZ PHE A 65 -1.356 -16.059 12.252 1.00 34.13 H new ATOM 1047 N VAL A 66 -1.370 -11.077 8.217 1.00 22.51 N ATOM 1048 CA VAL A 66 0.036 -10.942 7.781 1.00 21.43 C ATOM 1049 C VAL A 66 0.998 -11.248 8.951 1.00 45.53 C ATOM 1050 O VAL A 66 0.644 -11.083 10.121 1.00 41.55 O ATOM 1051 CB VAL A 66 0.304 -9.507 7.172 1.00 4.41 C ATOM 1052 CG1 VAL A 66 -0.001 -8.389 8.195 1.00 74.34 C ATOM 1053 CG2 VAL A 66 1.743 -9.387 6.598 1.00 11.40 C ATOM 0 H VAL A 66 -1.642 -10.412 8.941 1.00 22.51 H new ATOM 0 HA VAL A 66 0.224 -11.672 6.993 1.00 21.43 H new ATOM 0 HB VAL A 66 -0.385 -9.376 6.338 1.00 4.41 H new ATOM 0 HG11 VAL A 66 0.195 -7.417 7.741 1.00 74.34 H new ATOM 0 HG12 VAL A 66 -1.048 -8.445 8.495 1.00 74.34 H new ATOM 0 HG13 VAL A 66 0.635 -8.515 9.072 1.00 74.34 H new ATOM 0 HG21 VAL A 66 1.889 -8.387 6.189 1.00 11.40 H new ATOM 0 HG22 VAL A 66 2.468 -9.563 7.393 1.00 11.40 H new ATOM 0 HG23 VAL A 66 1.883 -10.126 5.809 1.00 11.40 H new ATOM 1063 N LYS A 67 2.202 -11.731 8.615 1.00 52.31 N ATOM 1064 CA LYS A 67 3.277 -12.025 9.591 1.00 0.44 C ATOM 1065 C LYS A 67 4.632 -11.866 8.900 1.00 53.41 C ATOM 1066 O LYS A 67 4.671 -11.606 7.708 1.00 41.32 O ATOM 1067 CB LYS A 67 3.126 -13.461 10.146 1.00 14.21 C ATOM 1068 CG LYS A 67 3.235 -14.570 9.084 1.00 31.25 C ATOM 1069 CD LYS A 67 3.038 -15.974 9.680 1.00 44.51 C ATOM 1070 CE LYS A 67 3.218 -17.084 8.638 1.00 10.20 C ATOM 1071 NZ LYS A 67 2.928 -18.407 9.217 1.00 42.04 N ATOM 0 H LYS A 67 2.466 -11.933 7.651 1.00 52.31 H new ATOM 0 HA LYS A 67 3.207 -11.329 10.427 1.00 0.44 H new ATOM 0 HB2 LYS A 67 3.891 -13.626 10.905 1.00 14.21 H new ATOM 0 HB3 LYS A 67 2.160 -13.545 10.643 1.00 14.21 H new ATOM 0 HG2 LYS A 67 2.489 -14.400 8.307 1.00 31.25 H new ATOM 0 HG3 LYS A 67 4.212 -14.516 8.605 1.00 31.25 H new ATOM 0 HD2 LYS A 67 3.749 -16.124 10.492 1.00 44.51 H new ATOM 0 HD3 LYS A 67 2.040 -16.045 10.113 1.00 44.51 H new ATOM 0 HE2 LYS A 67 2.557 -16.902 7.790 1.00 10.20 H new ATOM 0 HE3 LYS A 67 4.239 -17.067 8.256 1.00 10.20 H new ATOM 0 HZ1 LYS A 67 3.058 -19.140 8.491 1.00 42.04 H new ATOM 0 HZ2 LYS A 67 3.575 -18.588 10.011 1.00 42.04 H new ATOM 0 HZ3 LYS A 67 1.946 -18.429 9.559 1.00 42.04 H new ATOM 1085 N LEU A 68 5.737 -12.048 9.631 1.00 14.45 N ATOM 1086 CA LEU A 68 7.091 -12.005 9.033 1.00 34.54 C ATOM 1087 C LEU A 68 7.344 -13.222 8.103 1.00 64.23 C ATOM 1088 O LEU A 68 6.579 -14.194 8.115 1.00 11.42 O ATOM 1089 CB LEU A 68 8.177 -11.957 10.141 1.00 21.32 C ATOM 1090 CG LEU A 68 8.036 -10.815 11.196 1.00 14.42 C ATOM 1091 CD1 LEU A 68 9.263 -10.759 12.119 1.00 5.32 C ATOM 1092 CD2 LEU A 68 7.775 -9.448 10.534 1.00 54.52 C ATOM 0 H LEU A 68 5.729 -12.226 10.635 1.00 14.45 H new ATOM 0 HA LEU A 68 7.151 -11.098 8.432 1.00 34.54 H new ATOM 0 HB2 LEU A 68 8.172 -12.912 10.667 1.00 21.32 H new ATOM 0 HB3 LEU A 68 9.151 -11.862 9.662 1.00 21.32 H new ATOM 0 HG LEU A 68 7.164 -11.048 11.807 1.00 14.42 H new ATOM 0 HD11 LEU A 68 9.137 -9.954 12.843 1.00 5.32 H new ATOM 0 HD12 LEU A 68 9.366 -11.708 12.645 1.00 5.32 H new ATOM 0 HD13 LEU A 68 10.158 -10.575 11.524 1.00 5.32 H new ATOM 0 HD21 LEU A 68 7.683 -8.682 11.304 1.00 54.52 H new ATOM 0 HD22 LEU A 68 8.605 -9.200 9.872 1.00 54.52 H new ATOM 0 HD23 LEU A 68 6.852 -9.494 9.956 1.00 54.52 H new ATOM 1104 N VAL A 69 8.427 -13.148 7.298 1.00 53.15 N ATOM 1105 CA VAL A 69 8.917 -14.298 6.488 1.00 3.21 C ATOM 1106 C VAL A 69 9.218 -15.534 7.391 1.00 5.21 C ATOM 1107 O VAL A 69 9.075 -16.683 6.948 1.00 74.51 O ATOM 1108 CB VAL A 69 10.191 -13.898 5.637 1.00 62.03 C ATOM 1109 CG1 VAL A 69 10.811 -15.106 4.880 1.00 22.20 C ATOM 1110 CG2 VAL A 69 9.847 -12.765 4.640 1.00 24.32 C ATOM 0 H VAL A 69 8.985 -12.301 7.188 1.00 53.15 H new ATOM 0 HA VAL A 69 8.124 -14.574 5.793 1.00 3.21 H new ATOM 0 HB VAL A 69 10.940 -13.543 6.345 1.00 62.03 H new ATOM 0 HG11 VAL A 69 11.681 -14.773 4.314 1.00 22.20 H new ATOM 0 HG12 VAL A 69 11.115 -15.868 5.598 1.00 22.20 H new ATOM 0 HG13 VAL A 69 10.072 -15.525 4.197 1.00 22.20 H new ATOM 0 HG21 VAL A 69 10.735 -12.504 4.065 1.00 24.32 H new ATOM 0 HG22 VAL A 69 9.062 -13.102 3.963 1.00 24.32 H new ATOM 0 HG23 VAL A 69 9.501 -11.890 5.189 1.00 24.32 H new ATOM 1302 N MET B 3 2.933 -14.517 -5.310 1.00 42.15 N ATOM 1303 CA MET B 3 2.402 -14.025 -4.013 1.00 75.15 C ATOM 1304 C MET B 3 1.511 -12.756 -4.214 1.00 61.35 C ATOM 1305 O MET B 3 1.530 -12.142 -5.292 1.00 20.24 O ATOM 1306 CB MET B 3 3.606 -13.727 -3.064 1.00 4.50 C ATOM 1307 CG MET B 3 3.249 -13.424 -1.596 1.00 21.24 C ATOM 1308 SD MET B 3 4.701 -13.059 -0.579 1.00 64.21 S ATOM 1309 CE MET B 3 5.630 -14.596 -0.692 1.00 53.03 C ATOM 0 HA MET B 3 1.766 -14.789 -3.565 1.00 75.15 H new ATOM 0 HB2 MET B 3 4.280 -14.584 -3.084 1.00 4.50 H new ATOM 0 HB3 MET B 3 4.158 -12.878 -3.466 1.00 4.50 H new ATOM 0 HG2 MET B 3 2.565 -12.576 -1.561 1.00 21.24 H new ATOM 0 HG3 MET B 3 2.720 -14.278 -1.172 1.00 21.24 H new ATOM 0 HE1 MET B 3 6.361 -14.640 0.116 1.00 53.03 H new ATOM 0 HE2 MET B 3 4.947 -15.441 -0.609 1.00 53.03 H new ATOM 0 HE3 MET B 3 6.146 -14.640 -1.651 1.00 53.03 H new ATOM 1319 N LEU B 4 0.729 -12.375 -3.171 1.00 4.03 N ATOM 1320 CA LEU B 4 -0.111 -11.139 -3.178 1.00 63.42 C ATOM 1321 C LEU B 4 0.725 -9.872 -3.534 1.00 11.14 C ATOM 1322 O LEU B 4 0.212 -8.924 -4.129 1.00 24.42 O ATOM 1323 CB LEU B 4 -0.841 -10.932 -1.810 1.00 72.12 C ATOM 1324 CG LEU B 4 -1.947 -11.980 -1.416 1.00 11.12 C ATOM 1325 CD1 LEU B 4 -1.352 -13.330 -0.946 1.00 21.11 C ATOM 1326 CD2 LEU B 4 -2.911 -11.398 -0.350 1.00 40.04 C ATOM 0 H LEU B 4 0.660 -12.909 -2.305 1.00 4.03 H new ATOM 0 HA LEU B 4 -0.864 -11.279 -3.954 1.00 63.42 H new ATOM 0 HB2 LEU B 4 -0.087 -10.925 -1.023 1.00 72.12 H new ATOM 0 HB3 LEU B 4 -1.301 -9.944 -1.819 1.00 72.12 H new ATOM 0 HG LEU B 4 -2.516 -12.187 -2.322 1.00 11.12 H new ATOM 0 HD11 LEU B 4 -2.161 -14.014 -0.687 1.00 21.11 H new ATOM 0 HD12 LEU B 4 -0.754 -13.763 -1.748 1.00 21.11 H new ATOM 0 HD13 LEU B 4 -0.722 -13.165 -0.072 1.00 21.11 H new ATOM 0 HD21 LEU B 4 -3.665 -12.143 -0.096 1.00 40.04 H new ATOM 0 HD22 LEU B 4 -2.347 -11.133 0.544 1.00 40.04 H new ATOM 0 HD23 LEU B 4 -3.399 -10.508 -0.748 1.00 40.04 H new ATOM 1338 N LYS B 5 2.020 -9.903 -3.173 1.00 50.44 N ATOM 1339 CA LYS B 5 3.006 -8.862 -3.530 1.00 0.20 C ATOM 1340 C LYS B 5 3.318 -8.862 -5.057 1.00 60.12 C ATOM 1341 O LYS B 5 3.254 -7.822 -5.711 1.00 13.33 O ATOM 1342 CB LYS B 5 4.310 -9.112 -2.727 1.00 34.12 C ATOM 1343 CG LYS B 5 5.423 -8.061 -2.946 1.00 13.53 C ATOM 1344 CD LYS B 5 6.776 -8.475 -2.330 1.00 55.41 C ATOM 1345 CE LYS B 5 7.350 -9.763 -2.949 1.00 74.24 C ATOM 1346 NZ LYS B 5 8.695 -10.084 -2.416 1.00 52.43 N ATOM 0 H LYS B 5 2.418 -10.660 -2.618 1.00 50.44 H new ATOM 0 HA LYS B 5 2.586 -7.887 -3.282 1.00 0.20 H new ATOM 0 HB2 LYS B 5 4.065 -9.144 -1.665 1.00 34.12 H new ATOM 0 HB3 LYS B 5 4.701 -10.094 -2.994 1.00 34.12 H new ATOM 0 HG2 LYS B 5 5.553 -7.896 -4.016 1.00 13.53 H new ATOM 0 HG3 LYS B 5 5.108 -7.112 -2.513 1.00 13.53 H new ATOM 0 HD2 LYS B 5 7.492 -7.664 -2.462 1.00 55.41 H new ATOM 0 HD3 LYS B 5 6.652 -8.618 -1.257 1.00 55.41 H new ATOM 0 HE2 LYS B 5 6.673 -10.594 -2.749 1.00 74.24 H new ATOM 0 HE3 LYS B 5 7.406 -9.651 -4.032 1.00 74.24 H new ATOM 0 HZ1 LYS B 5 9.176 -10.742 -3.061 1.00 52.43 H new ATOM 0 HZ2 LYS B 5 9.253 -9.210 -2.333 1.00 52.43 H new ATOM 0 HZ3 LYS B 5 8.601 -10.525 -1.479 1.00 52.43 H new ATOM 1360 N GLU B 6 3.656 -10.051 -5.606 1.00 63.04 N ATOM 1361 CA GLU B 6 4.072 -10.216 -7.029 1.00 52.14 C ATOM 1362 C GLU B 6 2.975 -9.739 -8.023 1.00 14.21 C ATOM 1363 O GLU B 6 3.248 -8.967 -8.952 1.00 63.12 O ATOM 1364 CB GLU B 6 4.433 -11.706 -7.296 1.00 52.45 C ATOM 1365 CG GLU B 6 4.852 -12.055 -8.747 1.00 55.15 C ATOM 1366 CD GLU B 6 6.168 -11.389 -9.199 1.00 51.52 C ATOM 1367 OE1 GLU B 6 7.254 -11.918 -8.886 1.00 64.30 O ATOM 1368 OE2 GLU B 6 6.126 -10.340 -9.872 1.00 5.02 O ATOM 0 H GLU B 6 3.650 -10.925 -5.081 1.00 63.04 H new ATOM 0 HA GLU B 6 4.947 -9.588 -7.196 1.00 52.14 H new ATOM 0 HB2 GLU B 6 5.246 -11.988 -6.627 1.00 52.45 H new ATOM 0 HB3 GLU B 6 3.573 -12.321 -7.030 1.00 52.45 H new ATOM 0 HG2 GLU B 6 4.956 -13.137 -8.834 1.00 55.15 H new ATOM 0 HG3 GLU B 6 4.054 -11.756 -9.426 1.00 55.15 H new ATOM 1375 N LYS B 7 1.732 -10.198 -7.793 1.00 62.31 N ATOM 1376 CA LYS B 7 0.556 -9.825 -8.628 1.00 14.42 C ATOM 1377 C LYS B 7 0.172 -8.324 -8.493 1.00 34.04 C ATOM 1378 O LYS B 7 -0.384 -7.731 -9.421 1.00 53.04 O ATOM 1379 CB LYS B 7 -0.650 -10.704 -8.251 1.00 51.21 C ATOM 1380 CG LYS B 7 -1.050 -10.618 -6.764 1.00 25.11 C ATOM 1381 CD LYS B 7 -2.432 -11.212 -6.467 1.00 24.01 C ATOM 1382 CE LYS B 7 -2.582 -12.670 -6.952 1.00 73.50 C ATOM 1383 NZ LYS B 7 -1.565 -13.577 -6.356 1.00 54.41 N ATOM 0 H LYS B 7 1.506 -10.835 -7.029 1.00 62.31 H new ATOM 0 HA LYS B 7 0.837 -9.992 -9.668 1.00 14.42 H new ATOM 0 HB2 LYS B 7 -1.504 -10.413 -8.863 1.00 51.21 H new ATOM 0 HB3 LYS B 7 -0.421 -11.741 -8.495 1.00 51.21 H new ATOM 0 HG2 LYS B 7 -0.303 -11.138 -6.164 1.00 25.11 H new ATOM 0 HG3 LYS B 7 -1.038 -9.574 -6.452 1.00 25.11 H new ATOM 0 HD2 LYS B 7 -2.615 -11.172 -5.393 1.00 24.01 H new ATOM 0 HD3 LYS B 7 -3.195 -10.597 -6.943 1.00 24.01 H new ATOM 0 HE2 LYS B 7 -3.579 -13.032 -6.700 1.00 73.50 H new ATOM 0 HE3 LYS B 7 -2.497 -12.698 -8.038 1.00 73.50 H new ATOM 0 HZ1 LYS B 7 -1.709 -14.543 -6.714 1.00 54.41 H new ATOM 0 HZ2 LYS B 7 -0.613 -13.250 -6.617 1.00 54.41 H new ATOM 0 HZ3 LYS B 7 -1.661 -13.573 -5.320 1.00 54.41 H new ATOM 1397 N ALA B 8 0.447 -7.740 -7.308 1.00 53.41 N ATOM 1398 CA ALA B 8 0.282 -6.285 -7.048 1.00 43.54 C ATOM 1399 C ALA B 8 1.148 -5.418 -8.002 1.00 71.44 C ATOM 1400 O ALA B 8 0.833 -4.250 -8.267 1.00 11.33 O ATOM 1401 CB ALA B 8 0.623 -5.989 -5.584 1.00 3.31 C ATOM 0 H ALA B 8 0.790 -8.260 -6.501 1.00 53.41 H new ATOM 0 HA ALA B 8 -0.757 -6.020 -7.242 1.00 43.54 H new ATOM 0 HB1 ALA B 8 0.503 -4.923 -5.391 1.00 3.31 H new ATOM 0 HB2 ALA B 8 -0.045 -6.553 -4.934 1.00 3.31 H new ATOM 0 HB3 ALA B 8 1.654 -6.280 -5.385 1.00 3.31 H new ATOM 1407 N GLY B 9 2.237 -6.026 -8.513 1.00 53.32 N ATOM 1408 CA GLY B 9 3.080 -5.418 -9.553 1.00 63.32 C ATOM 1409 C GLY B 9 2.355 -5.205 -10.898 1.00 31.20 C ATOM 1410 O GLY B 9 2.681 -4.273 -11.642 1.00 33.10 O ATOM 0 H GLY B 9 2.553 -6.949 -8.215 1.00 53.32 H new ATOM 0 HA2 GLY B 9 3.448 -4.457 -9.193 1.00 63.32 H new ATOM 0 HA3 GLY B 9 3.952 -6.052 -9.717 1.00 63.32 H new ATOM 1414 N ALA B 10 1.388 -6.093 -11.220 1.00 74.50 N ATOM 1415 CA ALA B 10 0.524 -5.953 -12.423 1.00 3.12 C ATOM 1416 C ALA B 10 -0.404 -4.713 -12.315 1.00 72.21 C ATOM 1417 O ALA B 10 -0.614 -3.986 -13.296 1.00 25.52 O ATOM 1418 CB ALA B 10 -0.315 -7.223 -12.642 1.00 42.02 C ATOM 0 H ALA B 10 1.182 -6.921 -10.662 1.00 74.50 H new ATOM 0 HA ALA B 10 1.180 -5.811 -13.282 1.00 3.12 H new ATOM 0 HB1 ALA B 10 -0.939 -7.099 -13.527 1.00 42.02 H new ATOM 0 HB2 ALA B 10 0.348 -8.077 -12.782 1.00 42.02 H new ATOM 0 HB3 ALA B 10 -0.949 -7.395 -11.772 1.00 42.02 H new ATOM 1424 N LEU B 11 -0.946 -4.488 -11.095 1.00 63.22 N ATOM 1425 CA LEU B 11 -1.757 -3.287 -10.775 1.00 41.24 C ATOM 1426 C LEU B 11 -0.886 -2.009 -10.849 1.00 20.43 C ATOM 1427 O LEU B 11 -1.330 -0.972 -11.334 1.00 62.31 O ATOM 1428 CB LEU B 11 -2.402 -3.428 -9.364 1.00 63.32 C ATOM 1429 CG LEU B 11 -3.304 -4.687 -9.145 1.00 52.44 C ATOM 1430 CD1 LEU B 11 -3.873 -4.727 -7.707 1.00 74.32 C ATOM 1431 CD2 LEU B 11 -4.425 -4.768 -10.209 1.00 33.31 C ATOM 0 H LEU B 11 -0.835 -5.128 -10.309 1.00 63.22 H new ATOM 0 HA LEU B 11 -2.555 -3.202 -11.513 1.00 41.24 H new ATOM 0 HB2 LEU B 11 -1.604 -3.444 -8.622 1.00 63.32 H new ATOM 0 HB3 LEU B 11 -3.001 -2.538 -9.170 1.00 63.32 H new ATOM 0 HG LEU B 11 -2.677 -5.570 -9.269 1.00 52.44 H new ATOM 0 HD11 LEU B 11 -4.495 -5.614 -7.587 1.00 74.32 H new ATOM 0 HD12 LEU B 11 -3.051 -4.760 -6.991 1.00 74.32 H new ATOM 0 HD13 LEU B 11 -4.474 -3.835 -7.528 1.00 74.32 H new ATOM 0 HD21 LEU B 11 -5.034 -5.654 -10.029 1.00 33.31 H new ATOM 0 HD22 LEU B 11 -5.051 -3.878 -10.146 1.00 33.31 H new ATOM 0 HD23 LEU B 11 -3.980 -4.829 -11.202 1.00 33.31 H new ATOM 1443 N ALA B 12 0.367 -2.126 -10.378 1.00 41.22 N ATOM 1444 CA ALA B 12 1.374 -1.040 -10.429 1.00 43.02 C ATOM 1445 C ALA B 12 1.660 -0.556 -11.866 1.00 51.54 C ATOM 1446 O ALA B 12 1.653 0.655 -12.141 1.00 0.02 O ATOM 1447 CB ALA B 12 2.674 -1.521 -9.773 1.00 63.44 C ATOM 0 H ALA B 12 0.717 -2.982 -9.947 1.00 41.22 H new ATOM 0 HA ALA B 12 0.964 -0.189 -9.885 1.00 43.02 H new ATOM 0 HB1 ALA B 12 3.416 -0.724 -9.809 1.00 63.44 H new ATOM 0 HB2 ALA B 12 2.480 -1.789 -8.734 1.00 63.44 H new ATOM 0 HB3 ALA B 12 3.051 -2.392 -10.308 1.00 63.44 H new ATOM 1453 N GLY B 13 1.897 -1.529 -12.764 1.00 30.10 N ATOM 1454 CA GLY B 13 2.239 -1.253 -14.162 1.00 3.25 C ATOM 1455 C GLY B 13 1.215 -0.378 -14.890 1.00 21.21 C ATOM 1456 O GLY B 13 1.561 0.673 -15.436 1.00 33.24 O ATOM 0 H GLY B 13 1.856 -2.523 -12.538 1.00 30.10 H new ATOM 0 HA2 GLY B 13 3.212 -0.763 -14.198 1.00 3.25 H new ATOM 0 HA3 GLY B 13 2.339 -2.199 -14.695 1.00 3.25 H new ATOM 1460 N GLN B 14 -0.059 -0.801 -14.835 1.00 44.02 N ATOM 1461 CA GLN B 14 -1.186 -0.097 -15.497 1.00 60.01 C ATOM 1462 C GLN B 14 -1.480 1.298 -14.868 1.00 24.12 C ATOM 1463 O GLN B 14 -1.869 2.223 -15.589 1.00 35.35 O ATOM 1464 CB GLN B 14 -2.462 -0.988 -15.496 1.00 3.10 C ATOM 1465 CG GLN B 14 -2.875 -1.514 -14.108 1.00 31.51 C ATOM 1466 CD GLN B 14 -4.115 -2.406 -14.112 1.00 11.04 C ATOM 1467 OE1 GLN B 14 -4.429 -3.071 -15.094 1.00 24.43 O ATOM 1468 NE2 GLN B 14 -4.803 -2.465 -12.992 1.00 24.21 N ATOM 0 H GLN B 14 -0.344 -1.641 -14.331 1.00 44.02 H new ATOM 0 HA GLN B 14 -0.884 0.087 -16.528 1.00 60.01 H new ATOM 0 HB2 GLN B 14 -3.290 -0.415 -15.914 1.00 3.10 H new ATOM 0 HB3 GLN B 14 -2.296 -1.838 -16.158 1.00 3.10 H new ATOM 0 HG2 GLN B 14 -2.042 -2.074 -13.683 1.00 31.51 H new ATOM 0 HG3 GLN B 14 -3.057 -0.664 -13.450 1.00 31.51 H new ATOM 0 HE21 GLN B 14 -4.521 -1.902 -12.190 1.00 24.21 H new ATOM 0 HE22 GLN B 14 -5.619 -3.074 -12.926 1.00 24.21 H new ATOM 1477 N ILE B 15 -1.300 1.445 -13.528 1.00 51.15 N ATOM 1478 CA ILE B 15 -1.484 2.752 -12.822 1.00 25.13 C ATOM 1479 C ILE B 15 -0.435 3.793 -13.293 1.00 0.43 C ATOM 1480 O ILE B 15 -0.776 4.953 -13.564 1.00 14.03 O ATOM 1481 CB ILE B 15 -1.440 2.578 -11.245 1.00 12.34 C ATOM 1482 CG1 ILE B 15 -2.692 1.775 -10.758 1.00 22.54 C ATOM 1483 CG2 ILE B 15 -1.330 3.940 -10.494 1.00 23.12 C ATOM 1484 CD1 ILE B 15 -2.737 1.496 -9.263 1.00 50.44 C ATOM 0 H ILE B 15 -1.028 0.679 -12.912 1.00 51.15 H new ATOM 0 HA ILE B 15 -2.474 3.125 -13.083 1.00 25.13 H new ATOM 0 HB ILE B 15 -0.537 2.017 -11.005 1.00 12.34 H new ATOM 0 HG12 ILE B 15 -3.590 2.327 -11.036 1.00 22.54 H new ATOM 0 HG13 ILE B 15 -2.725 0.825 -11.291 1.00 22.54 H new ATOM 0 HG21 ILE B 15 -1.304 3.762 -9.419 1.00 23.12 H new ATOM 0 HG22 ILE B 15 -0.417 4.451 -10.799 1.00 23.12 H new ATOM 0 HG23 ILE B 15 -2.192 4.561 -10.738 1.00 23.12 H new ATOM 0 HD11 ILE B 15 -3.641 0.935 -9.025 1.00 50.44 H new ATOM 0 HD12 ILE B 15 -1.862 0.913 -8.975 1.00 50.44 H new ATOM 0 HD13 ILE B 15 -2.740 2.439 -8.717 1.00 50.44 H new ATOM 1496 N TRP B 16 0.829 3.348 -13.410 1.00 21.41 N ATOM 1497 CA TRP B 16 1.936 4.167 -13.960 1.00 65.41 C ATOM 1498 C TRP B 16 1.626 4.607 -15.425 1.00 52.34 C ATOM 1499 O TRP B 16 1.867 5.756 -15.804 1.00 64.24 O ATOM 1500 CB TRP B 16 3.269 3.361 -13.893 1.00 40.21 C ATOM 1501 CG TRP B 16 4.507 4.162 -14.265 1.00 71.25 C ATOM 1502 CD1 TRP B 16 5.344 4.824 -13.406 1.00 64.32 C ATOM 1503 CD2 TRP B 16 5.035 4.392 -15.589 1.00 21.42 C ATOM 1504 NE1 TRP B 16 6.339 5.455 -14.110 1.00 11.45 N ATOM 1505 CE2 TRP B 16 6.171 5.205 -15.448 1.00 33.05 C ATOM 1506 CE3 TRP B 16 4.646 3.991 -16.878 1.00 24.15 C ATOM 1507 CZ2 TRP B 16 6.924 5.627 -16.542 1.00 74.44 C ATOM 1508 CZ3 TRP B 16 5.392 4.408 -17.960 1.00 21.34 C ATOM 1509 CH2 TRP B 16 6.519 5.220 -17.788 1.00 50.15 C ATOM 0 H TRP B 16 1.117 2.411 -13.127 1.00 21.41 H new ATOM 0 HA TRP B 16 2.039 5.070 -13.358 1.00 65.41 H new ATOM 0 HB2 TRP B 16 3.393 2.971 -12.883 1.00 40.21 H new ATOM 0 HB3 TRP B 16 3.194 2.502 -14.559 1.00 40.21 H new ATOM 0 HD1 TRP B 16 5.237 4.846 -12.332 1.00 64.32 H new ATOM 0 HE1 TRP B 16 7.084 6.020 -13.703 1.00 11.45 H new ATOM 0 HE3 TRP B 16 3.777 3.366 -17.019 1.00 24.15 H new ATOM 0 HZ2 TRP B 16 7.795 6.252 -16.414 1.00 74.44 H new ATOM 0 HZ3 TRP B 16 5.102 4.104 -18.955 1.00 21.34 H new ATOM 0 HH2 TRP B 16 7.082 5.533 -18.655 1.00 50.15 H new ATOM 1520 N GLU B 17 1.091 3.660 -16.232 1.00 60.03 N ATOM 1521 CA GLU B 17 0.709 3.897 -17.653 1.00 1.51 C ATOM 1522 C GLU B 17 -0.480 4.888 -17.788 1.00 51.40 C ATOM 1523 O GLU B 17 -0.575 5.624 -18.780 1.00 14.31 O ATOM 1524 CB GLU B 17 0.383 2.539 -18.346 1.00 12.24 C ATOM 1525 CG GLU B 17 1.592 1.592 -18.460 1.00 25.30 C ATOM 1526 CD GLU B 17 1.248 0.222 -19.070 1.00 63.41 C ATOM 1527 OE1 GLU B 17 0.891 -0.702 -18.314 1.00 22.20 O ATOM 1528 OE2 GLU B 17 1.345 0.062 -20.305 1.00 14.02 O ATOM 0 H GLU B 17 0.910 2.706 -15.919 1.00 60.03 H new ATOM 0 HA GLU B 17 1.559 4.361 -18.153 1.00 1.51 H new ATOM 0 HB2 GLU B 17 -0.408 2.038 -17.788 1.00 12.24 H new ATOM 0 HB3 GLU B 17 -0.007 2.736 -19.344 1.00 12.24 H new ATOM 0 HG2 GLU B 17 2.360 2.069 -19.069 1.00 25.30 H new ATOM 0 HG3 GLU B 17 2.019 1.442 -17.469 1.00 25.30 H new ATOM 1535 N ALA B 18 -1.373 4.904 -16.776 1.00 3.13 N ATOM 1536 CA ALA B 18 -2.489 5.884 -16.690 1.00 73.21 C ATOM 1537 C ALA B 18 -1.958 7.316 -16.405 1.00 71.23 C ATOM 1538 O ALA B 18 -2.520 8.312 -16.871 1.00 30.13 O ATOM 1539 CB ALA B 18 -3.496 5.459 -15.604 1.00 73.13 C ATOM 0 H ALA B 18 -1.346 4.245 -15.998 1.00 3.13 H new ATOM 0 HA ALA B 18 -2.998 5.899 -17.654 1.00 73.21 H new ATOM 0 HB1 ALA B 18 -4.306 6.187 -15.554 1.00 73.13 H new ATOM 0 HB2 ALA B 18 -3.904 4.478 -15.850 1.00 73.13 H new ATOM 0 HB3 ALA B 18 -2.992 5.411 -14.639 1.00 73.13 H new ATOM 1545 N LEU B 19 -0.872 7.389 -15.620 1.00 34.11 N ATOM 1546 CA LEU B 19 -0.169 8.650 -15.290 1.00 44.41 C ATOM 1547 C LEU B 19 0.766 9.129 -16.429 1.00 73.45 C ATOM 1548 O LEU B 19 1.034 10.334 -16.548 1.00 44.01 O ATOM 1549 CB LEU B 19 0.657 8.432 -13.996 1.00 44.41 C ATOM 1550 CG LEU B 19 -0.168 8.150 -12.706 1.00 33.51 C ATOM 1551 CD1 LEU B 19 0.747 7.735 -11.530 1.00 42.23 C ATOM 1552 CD2 LEU B 19 -1.045 9.369 -12.349 1.00 43.54 C ATOM 0 H LEU B 19 -0.448 6.567 -15.189 1.00 34.11 H new ATOM 0 HA LEU B 19 -0.921 9.426 -15.150 1.00 44.41 H new ATOM 0 HB2 LEU B 19 1.339 7.597 -14.159 1.00 44.41 H new ATOM 0 HB3 LEU B 19 1.271 9.316 -13.826 1.00 44.41 H new ATOM 0 HG LEU B 19 -0.831 7.308 -12.902 1.00 33.51 H new ATOM 0 HD11 LEU B 19 0.139 7.546 -10.645 1.00 42.23 H new ATOM 0 HD12 LEU B 19 1.293 6.830 -11.796 1.00 42.23 H new ATOM 0 HD13 LEU B 19 1.455 8.537 -11.319 1.00 42.23 H new ATOM 0 HD21 LEU B 19 -1.615 9.155 -11.445 1.00 43.54 H new ATOM 0 HD22 LEU B 19 -0.409 10.238 -12.180 1.00 43.54 H new ATOM 0 HD23 LEU B 19 -1.731 9.576 -13.170 1.00 43.54 H new ATOM 1564 N ASN B 20 1.262 8.183 -17.254 1.00 44.21 N ATOM 1565 CA ASN B 20 2.294 8.467 -18.280 1.00 22.44 C ATOM 1566 C ASN B 20 1.773 9.425 -19.382 1.00 23.13 C ATOM 1567 O ASN B 20 0.741 9.167 -20.006 1.00 50.03 O ATOM 1568 CB ASN B 20 2.817 7.155 -18.915 1.00 61.00 C ATOM 1569 CG ASN B 20 4.050 7.373 -19.800 1.00 73.04 C ATOM 1570 OD1 ASN B 20 4.896 8.219 -19.513 1.00 20.02 O ATOM 1571 ND2 ASN B 20 4.149 6.647 -20.894 1.00 73.21 N ATOM 0 H ASN B 20 0.963 7.208 -17.231 1.00 44.21 H new ATOM 0 HA ASN B 20 3.118 8.967 -17.771 1.00 22.44 H new ATOM 0 HB2 ASN B 20 3.064 6.447 -18.124 1.00 61.00 H new ATOM 0 HB3 ASN B 20 2.023 6.703 -19.510 1.00 61.00 H new ATOM 0 HD21 ASN B 20 4.940 6.780 -21.525 1.00 73.21 H new ATOM 0 HD22 ASN B 20 3.435 5.952 -21.111 1.00 73.21 H new ATOM 1578 N GLY B 21 2.510 10.532 -19.602 1.00 60.44 N ATOM 1579 CA GLY B 21 2.139 11.554 -20.595 1.00 13.43 C ATOM 1580 C GLY B 21 1.309 12.708 -20.011 1.00 74.12 C ATOM 1581 O GLY B 21 1.450 13.855 -20.442 1.00 3.45 O ATOM 0 H GLY B 21 3.373 10.740 -19.099 1.00 60.44 H new ATOM 0 HA2 GLY B 21 3.046 11.960 -21.042 1.00 13.43 H new ATOM 0 HA3 GLY B 21 1.573 11.080 -21.397 1.00 13.43 H new ATOM 1585 N THR B 22 0.429 12.398 -19.037 1.00 3.44 N ATOM 1586 CA THR B 22 -0.432 13.410 -18.365 1.00 21.02 C ATOM 1587 C THR B 22 0.303 14.111 -17.203 1.00 3.22 C ATOM 1588 O THR B 22 1.356 13.654 -16.740 1.00 34.52 O ATOM 1589 CB THR B 22 -1.762 12.781 -17.806 1.00 54.43 C ATOM 1590 OG1 THR B 22 -1.474 11.835 -16.758 1.00 61.32 O ATOM 1591 CG2 THR B 22 -2.582 12.097 -18.911 1.00 24.32 C ATOM 0 H THR B 22 0.291 11.448 -18.692 1.00 3.44 H new ATOM 0 HA THR B 22 -0.677 14.142 -19.134 1.00 21.02 H new ATOM 0 HB THR B 22 -2.358 13.599 -17.402 1.00 54.43 H new ATOM 0 HG1 THR B 22 -0.580 11.458 -16.895 1.00 61.32 H new ATOM 0 HG21 THR B 22 -3.491 11.676 -18.482 1.00 24.32 H new ATOM 0 HG22 THR B 22 -2.846 12.829 -19.674 1.00 24.32 H new ATOM 0 HG23 THR B 22 -1.991 11.300 -19.362 1.00 24.32 H new ATOM 1599 N GLU B 23 -0.294 15.213 -16.708 1.00 40.45 N ATOM 1600 CA GLU B 23 0.174 15.940 -15.505 1.00 51.30 C ATOM 1601 C GLU B 23 -0.416 15.332 -14.207 1.00 3.42 C ATOM 1602 O GLU B 23 -0.664 16.044 -13.224 1.00 10.13 O ATOM 1603 CB GLU B 23 -0.179 17.454 -15.644 1.00 64.42 C ATOM 1604 CG GLU B 23 0.739 18.241 -16.613 1.00 35.41 C ATOM 1605 CD GLU B 23 2.143 18.521 -16.030 1.00 24.10 C ATOM 1606 OE1 GLU B 23 2.970 17.587 -15.926 1.00 60.35 O ATOM 1607 OE2 GLU B 23 2.426 19.676 -15.654 1.00 63.23 O ATOM 0 H GLU B 23 -1.122 15.629 -17.134 1.00 40.45 H new ATOM 0 HA GLU B 23 1.257 15.838 -15.430 1.00 51.30 H new ATOM 0 HB2 GLU B 23 -1.210 17.544 -15.987 1.00 64.42 H new ATOM 0 HB3 GLU B 23 -0.129 17.918 -14.659 1.00 64.42 H new ATOM 0 HG2 GLU B 23 0.844 17.679 -17.541 1.00 35.41 H new ATOM 0 HG3 GLU B 23 0.262 19.188 -16.866 1.00 35.41 H new ATOM 1614 N GLY B 24 -0.595 13.998 -14.207 1.00 24.10 N ATOM 1615 CA GLY B 24 -1.046 13.262 -13.031 1.00 31.23 C ATOM 1616 C GLY B 24 -2.564 13.169 -12.909 1.00 74.51 C ATOM 1617 O GLY B 24 -3.300 14.002 -13.454 1.00 65.32 O ATOM 0 H GLY B 24 -0.429 13.410 -15.024 1.00 24.10 H new ATOM 0 HA2 GLY B 24 -0.631 12.255 -13.063 1.00 31.23 H new ATOM 0 HA3 GLY B 24 -0.648 13.743 -12.138 1.00 31.23 H new ATOM 1621 N LEU B 25 -3.032 12.158 -12.161 1.00 15.12 N ATOM 1622 CA LEU B 25 -4.466 11.854 -11.979 1.00 22.22 C ATOM 1623 C LEU B 25 -4.758 11.530 -10.489 1.00 55.44 C ATOM 1624 O LEU B 25 -3.853 11.136 -9.741 1.00 65.10 O ATOM 1625 CB LEU B 25 -4.884 10.646 -12.874 1.00 0.40 C ATOM 1626 CG LEU B 25 -4.779 10.815 -14.428 1.00 2.53 C ATOM 1627 CD1 LEU B 25 -5.171 9.505 -15.155 1.00 61.12 C ATOM 1628 CD2 LEU B 25 -5.625 12.011 -14.929 1.00 72.11 C ATOM 0 H LEU B 25 -2.419 11.517 -11.657 1.00 15.12 H new ATOM 0 HA LEU B 25 -5.045 12.729 -12.275 1.00 22.22 H new ATOM 0 HB2 LEU B 25 -4.272 9.790 -12.588 1.00 0.40 H new ATOM 0 HB3 LEU B 25 -5.917 10.393 -12.634 1.00 0.40 H new ATOM 0 HG LEU B 25 -3.738 11.033 -14.667 1.00 2.53 H new ATOM 0 HD11 LEU B 25 -5.090 9.649 -16.232 1.00 61.12 H new ATOM 0 HD12 LEU B 25 -4.502 8.702 -14.844 1.00 61.12 H new ATOM 0 HD13 LEU B 25 -6.197 9.241 -14.900 1.00 61.12 H new ATOM 0 HD21 LEU B 25 -5.528 12.097 -16.011 1.00 72.11 H new ATOM 0 HD22 LEU B 25 -6.672 11.850 -14.670 1.00 72.11 H new ATOM 0 HD23 LEU B 25 -5.272 12.929 -14.459 1.00 72.11 H new ATOM 1640 N THR B 26 -6.024 11.717 -10.065 1.00 23.23 N ATOM 1641 CA THR B 26 -6.499 11.308 -8.712 1.00 43.12 C ATOM 1642 C THR B 26 -6.704 9.777 -8.638 1.00 64.32 C ATOM 1643 O THR B 26 -6.662 9.095 -9.665 1.00 44.50 O ATOM 1644 CB THR B 26 -7.856 12.002 -8.329 1.00 75.10 C ATOM 1645 OG1 THR B 26 -8.917 11.521 -9.177 1.00 63.04 O ATOM 1646 CG2 THR B 26 -7.776 13.534 -8.435 1.00 23.20 C ATOM 0 H THR B 26 -6.747 12.151 -10.639 1.00 23.23 H new ATOM 0 HA THR B 26 -5.726 11.621 -8.010 1.00 43.12 H new ATOM 0 HB THR B 26 -8.063 11.747 -7.290 1.00 75.10 H new ATOM 0 HG1 THR B 26 -9.719 12.068 -9.040 1.00 63.04 H new ATOM 0 HG21 THR B 26 -8.737 13.968 -8.161 1.00 23.20 H new ATOM 0 HG22 THR B 26 -7.004 13.906 -7.761 1.00 23.20 H new ATOM 0 HG23 THR B 26 -7.530 13.816 -9.459 1.00 23.20 H new ATOM 1654 N GLN B 27 -6.957 9.246 -7.419 1.00 42.03 N ATOM 1655 CA GLN B 27 -7.328 7.821 -7.224 1.00 14.24 C ATOM 1656 C GLN B 27 -8.570 7.448 -8.080 1.00 45.53 C ATOM 1657 O GLN B 27 -8.617 6.379 -8.686 1.00 24.20 O ATOM 1658 CB GLN B 27 -7.592 7.528 -5.715 1.00 61.24 C ATOM 1659 CG GLN B 27 -8.067 6.083 -5.410 1.00 41.43 C ATOM 1660 CD GLN B 27 -8.136 5.734 -3.920 1.00 5.03 C ATOM 1661 OE1 GLN B 27 -8.367 6.589 -3.068 1.00 4.22 O ATOM 1662 NE2 GLN B 27 -7.947 4.467 -3.594 1.00 41.11 N ATOM 0 H GLN B 27 -6.911 9.783 -6.553 1.00 42.03 H new ATOM 0 HA GLN B 27 -6.493 7.204 -7.555 1.00 14.24 H new ATOM 0 HB2 GLN B 27 -6.677 7.721 -5.156 1.00 61.24 H new ATOM 0 HB3 GLN B 27 -8.343 8.228 -5.349 1.00 61.24 H new ATOM 0 HG2 GLN B 27 -9.054 5.939 -5.849 1.00 41.43 H new ATOM 0 HG3 GLN B 27 -7.394 5.382 -5.903 1.00 41.43 H new ATOM 0 HE21 GLN B 27 -7.757 3.776 -4.320 1.00 41.11 H new ATOM 0 HE22 GLN B 27 -7.991 4.180 -2.616 1.00 41.11 H new ATOM 1671 N LYS B 28 -9.541 8.377 -8.136 1.00 70.55 N ATOM 1672 CA LYS B 28 -10.767 8.247 -8.960 1.00 42.02 C ATOM 1673 C LYS B 28 -10.438 8.124 -10.478 1.00 0.41 C ATOM 1674 O LYS B 28 -10.857 7.166 -11.134 1.00 70.32 O ATOM 1675 CB LYS B 28 -11.681 9.483 -8.711 1.00 1.15 C ATOM 1676 CG LYS B 28 -13.023 9.494 -9.485 1.00 13.55 C ATOM 1677 CD LYS B 28 -13.995 8.366 -9.064 1.00 25.24 C ATOM 1678 CE LYS B 28 -14.375 8.422 -7.571 1.00 62.34 C ATOM 1679 NZ LYS B 28 -14.927 9.748 -7.172 1.00 71.33 N ATOM 0 H LYS B 28 -9.501 9.249 -7.608 1.00 70.55 H new ATOM 0 HA LYS B 28 -11.281 7.332 -8.665 1.00 42.02 H new ATOM 0 HB2 LYS B 28 -11.898 9.542 -7.644 1.00 1.15 H new ATOM 0 HB3 LYS B 28 -11.124 10.382 -8.974 1.00 1.15 H new ATOM 0 HG2 LYS B 28 -13.511 10.457 -9.334 1.00 13.55 H new ATOM 0 HG3 LYS B 28 -12.817 9.405 -10.552 1.00 13.55 H new ATOM 0 HD2 LYS B 28 -14.901 8.432 -9.666 1.00 25.24 H new ATOM 0 HD3 LYS B 28 -13.538 7.401 -9.281 1.00 25.24 H new ATOM 0 HE2 LYS B 28 -15.111 7.647 -7.357 1.00 62.34 H new ATOM 0 HE3 LYS B 28 -13.495 8.202 -6.967 1.00 62.34 H new ATOM 0 HZ1 LYS B 28 -15.245 9.708 -6.183 1.00 71.33 H new ATOM 0 HZ2 LYS B 28 -14.189 10.475 -7.270 1.00 71.33 H new ATOM 0 HZ3 LYS B 28 -15.732 9.988 -7.785 1.00 71.33 H new ATOM 1693 N GLN B 29 -9.648 9.085 -10.997 1.00 62.32 N ATOM 1694 CA GLN B 29 -9.310 9.189 -12.445 1.00 54.01 C ATOM 1695 C GLN B 29 -8.450 8.000 -12.936 1.00 44.12 C ATOM 1696 O GLN B 29 -8.613 7.521 -14.066 1.00 20.55 O ATOM 1697 CB GLN B 29 -8.580 10.530 -12.715 1.00 45.01 C ATOM 1698 CG GLN B 29 -9.425 11.790 -12.434 1.00 75.54 C ATOM 1699 CD GLN B 29 -10.622 11.961 -13.379 1.00 51.24 C ATOM 1700 OE1 GLN B 29 -10.574 11.580 -14.544 1.00 14.01 O ATOM 1701 NE2 GLN B 29 -11.703 12.534 -12.886 1.00 43.34 N ATOM 0 H GLN B 29 -9.221 9.817 -10.429 1.00 62.32 H new ATOM 0 HA GLN B 29 -10.244 9.158 -13.006 1.00 54.01 H new ATOM 0 HB2 GLN B 29 -7.680 10.568 -12.102 1.00 45.01 H new ATOM 0 HB3 GLN B 29 -8.258 10.550 -13.756 1.00 45.01 H new ATOM 0 HG2 GLN B 29 -9.788 11.750 -11.407 1.00 75.54 H new ATOM 0 HG3 GLN B 29 -8.785 12.669 -12.512 1.00 75.54 H new ATOM 0 HE21 GLN B 29 -11.718 12.842 -11.914 1.00 43.34 H new ATOM 0 HE22 GLN B 29 -12.523 12.669 -13.477 1.00 43.34 H new ATOM 1710 N ILE B 30 -7.531 7.541 -12.072 1.00 24.35 N ATOM 1711 CA ILE B 30 -6.706 6.342 -12.327 1.00 34.44 C ATOM 1712 C ILE B 30 -7.579 5.069 -12.337 1.00 5.02 C ATOM 1713 O ILE B 30 -7.446 4.239 -13.234 1.00 1.02 O ATOM 1714 CB ILE B 30 -5.553 6.215 -11.265 1.00 21.54 C ATOM 1715 CG1 ILE B 30 -4.563 7.408 -11.416 1.00 33.55 C ATOM 1716 CG2 ILE B 30 -4.808 4.862 -11.366 1.00 44.42 C ATOM 1717 CD1 ILE B 30 -3.483 7.495 -10.361 1.00 44.12 C ATOM 0 H ILE B 30 -7.336 7.988 -11.176 1.00 24.35 H new ATOM 0 HA ILE B 30 -6.249 6.452 -13.311 1.00 34.44 H new ATOM 0 HB ILE B 30 -6.007 6.247 -10.275 1.00 21.54 H new ATOM 0 HG12 ILE B 30 -4.087 7.341 -12.394 1.00 33.55 H new ATOM 0 HG13 ILE B 30 -5.135 8.336 -11.403 1.00 33.55 H new ATOM 0 HG21 ILE B 30 -4.021 4.823 -10.612 1.00 44.42 H new ATOM 0 HG22 ILE B 30 -5.511 4.046 -11.200 1.00 44.42 H new ATOM 0 HG23 ILE B 30 -4.366 4.763 -12.357 1.00 44.42 H new ATOM 0 HD11 ILE B 30 -2.849 8.360 -10.559 1.00 44.12 H new ATOM 0 HD12 ILE B 30 -3.942 7.599 -9.378 1.00 44.12 H new ATOM 0 HD13 ILE B 30 -2.878 6.589 -10.384 1.00 44.12 H new ATOM 1729 N LYS B 31 -8.486 4.941 -11.344 1.00 52.43 N ATOM 1730 CA LYS B 31 -9.444 3.806 -11.269 1.00 24.24 C ATOM 1731 C LYS B 31 -10.391 3.764 -12.496 1.00 23.40 C ATOM 1732 O LYS B 31 -10.921 2.705 -12.818 1.00 31.10 O ATOM 1733 CB LYS B 31 -10.271 3.829 -9.947 1.00 32.41 C ATOM 1734 CG LYS B 31 -9.515 3.314 -8.696 1.00 14.02 C ATOM 1735 CD LYS B 31 -10.390 3.288 -7.414 1.00 13.10 C ATOM 1736 CE LYS B 31 -11.683 2.450 -7.569 1.00 52.04 C ATOM 1737 NZ LYS B 31 -11.426 1.039 -7.955 1.00 42.32 N ATOM 0 H LYS B 31 -8.578 5.610 -10.579 1.00 52.43 H new ATOM 0 HA LYS B 31 -8.843 2.897 -11.276 1.00 24.24 H new ATOM 0 HB2 LYS B 31 -10.601 4.851 -9.759 1.00 32.41 H new ATOM 0 HB3 LYS B 31 -11.168 3.225 -10.086 1.00 32.41 H new ATOM 0 HG2 LYS B 31 -9.143 2.309 -8.894 1.00 14.02 H new ATOM 0 HG3 LYS B 31 -8.645 3.947 -8.520 1.00 14.02 H new ATOM 0 HD2 LYS B 31 -9.802 2.885 -6.590 1.00 13.10 H new ATOM 0 HD3 LYS B 31 -10.658 4.310 -7.145 1.00 13.10 H new ATOM 0 HE2 LYS B 31 -12.234 2.468 -6.629 1.00 52.04 H new ATOM 0 HE3 LYS B 31 -12.321 2.915 -8.321 1.00 52.04 H new ATOM 0 HZ1 LYS B 31 -11.921 0.403 -7.297 1.00 42.32 H new ATOM 0 HZ2 LYS B 31 -11.772 0.875 -8.922 1.00 42.32 H new ATOM 0 HZ3 LYS B 31 -10.404 0.849 -7.916 1.00 42.32 H new ATOM 1751 N LYS B 32 -10.645 4.924 -13.132 1.00 63.01 N ATOM 1752 CA LYS B 32 -11.379 4.988 -14.418 1.00 22.02 C ATOM 1753 C LYS B 32 -10.522 4.436 -15.589 1.00 63.44 C ATOM 1754 O LYS B 32 -10.946 3.526 -16.310 1.00 13.13 O ATOM 1755 CB LYS B 32 -11.830 6.444 -14.723 1.00 30.33 C ATOM 1756 CG LYS B 32 -12.835 7.052 -13.716 1.00 53.42 C ATOM 1757 CD LYS B 32 -14.140 6.232 -13.561 1.00 5.01 C ATOM 1758 CE LYS B 32 -14.885 6.007 -14.894 1.00 61.14 C ATOM 1759 NZ LYS B 32 -15.192 7.282 -15.601 1.00 73.42 N ATOM 0 H LYS B 32 -10.353 5.835 -12.777 1.00 63.01 H new ATOM 0 HA LYS B 32 -12.264 4.359 -14.321 1.00 22.02 H new ATOM 0 HB2 LYS B 32 -10.946 7.081 -14.757 1.00 30.33 H new ATOM 0 HB3 LYS B 32 -12.278 6.467 -15.716 1.00 30.33 H new ATOM 0 HG2 LYS B 32 -12.353 7.137 -12.742 1.00 53.42 H new ATOM 0 HG3 LYS B 32 -13.088 8.063 -14.035 1.00 53.42 H new ATOM 0 HD2 LYS B 32 -13.902 5.265 -13.119 1.00 5.01 H new ATOM 0 HD3 LYS B 32 -14.803 6.746 -12.865 1.00 5.01 H new ATOM 0 HE2 LYS B 32 -14.279 5.373 -15.542 1.00 61.14 H new ATOM 0 HE3 LYS B 32 -15.814 5.470 -14.701 1.00 61.14 H new ATOM 0 HZ1 LYS B 32 -15.736 7.078 -16.463 1.00 73.42 H new ATOM 0 HZ2 LYS B 32 -15.750 7.899 -14.977 1.00 73.42 H new ATOM 0 HZ3 LYS B 32 -14.304 7.760 -15.857 1.00 73.42 H new ATOM 1773 N ALA B 33 -9.301 4.992 -15.746 1.00 25.41 N ATOM 1774 CA ALA B 33 -8.391 4.672 -16.880 1.00 71.32 C ATOM 1775 C ALA B 33 -7.901 3.195 -16.868 1.00 20.44 C ATOM 1776 O ALA B 33 -7.693 2.586 -17.925 1.00 74.40 O ATOM 1777 CB ALA B 33 -7.191 5.640 -16.867 1.00 40.15 C ATOM 0 H ALA B 33 -8.914 5.675 -15.094 1.00 25.41 H new ATOM 0 HA ALA B 33 -8.961 4.798 -17.800 1.00 71.32 H new ATOM 0 HB1 ALA B 33 -6.525 5.405 -17.697 1.00 40.15 H new ATOM 0 HB2 ALA B 33 -7.549 6.665 -16.967 1.00 40.15 H new ATOM 0 HB3 ALA B 33 -6.649 5.535 -15.927 1.00 40.15 H new ATOM 1783 N THR B 34 -7.708 2.644 -15.659 1.00 63.20 N ATOM 1784 CA THR B 34 -7.222 1.249 -15.447 1.00 53.12 C ATOM 1785 C THR B 34 -8.377 0.269 -15.123 1.00 45.35 C ATOM 1786 O THR B 34 -8.168 -0.949 -15.119 1.00 54.50 O ATOM 1787 CB THR B 34 -6.189 1.188 -14.273 1.00 55.44 C ATOM 1788 OG1 THR B 34 -6.832 1.551 -13.039 1.00 62.02 O ATOM 1789 CG2 THR B 34 -4.991 2.121 -14.507 1.00 62.42 C ATOM 0 H THR B 34 -7.882 3.147 -14.789 1.00 63.20 H new ATOM 0 HA THR B 34 -6.751 0.948 -16.383 1.00 53.12 H new ATOM 0 HB THR B 34 -5.816 0.165 -14.222 1.00 55.44 H new ATOM 0 HG1 THR B 34 -7.083 2.498 -13.067 1.00 62.02 H new ATOM 0 HG21 THR B 34 -4.301 2.045 -13.667 1.00 62.42 H new ATOM 0 HG22 THR B 34 -4.479 1.832 -15.425 1.00 62.42 H new ATOM 0 HG23 THR B 34 -5.342 3.149 -14.596 1.00 62.42 H new ATOM 1797 N LYS B 35 -9.567 0.835 -14.806 1.00 14.32 N ATOM 1798 CA LYS B 35 -10.808 0.104 -14.418 1.00 4.23 C ATOM 1799 C LYS B 35 -10.584 -0.895 -13.238 1.00 52.41 C ATOM 1800 O LYS B 35 -10.985 -2.067 -13.280 1.00 42.24 O ATOM 1801 CB LYS B 35 -11.579 -0.495 -15.650 1.00 74.33 C ATOM 1802 CG LYS B 35 -10.935 -1.703 -16.378 1.00 44.32 C ATOM 1803 CD LYS B 35 -11.699 -2.117 -17.662 1.00 21.45 C ATOM 1804 CE LYS B 35 -13.183 -2.457 -17.407 1.00 12.30 C ATOM 1805 NZ LYS B 35 -13.352 -3.586 -16.451 1.00 74.10 N ATOM 0 H LYS B 35 -9.698 1.846 -14.812 1.00 14.32 H new ATOM 0 HA LYS B 35 -11.490 0.851 -14.012 1.00 4.23 H new ATOM 0 HB2 LYS B 35 -12.571 -0.795 -15.313 1.00 74.33 H new ATOM 0 HB3 LYS B 35 -11.718 0.302 -16.380 1.00 74.33 H new ATOM 0 HG2 LYS B 35 -9.906 -1.456 -16.638 1.00 44.32 H new ATOM 0 HG3 LYS B 35 -10.896 -2.552 -15.696 1.00 44.32 H new ATOM 0 HD2 LYS B 35 -11.639 -1.307 -18.389 1.00 21.45 H new ATOM 0 HD3 LYS B 35 -11.207 -2.982 -18.106 1.00 21.45 H new ATOM 0 HE2 LYS B 35 -13.693 -1.576 -17.018 1.00 12.30 H new ATOM 0 HE3 LYS B 35 -13.662 -2.711 -18.353 1.00 12.30 H new ATOM 0 HZ1 LYS B 35 -14.365 -3.775 -16.313 1.00 74.10 H new ATOM 0 HZ2 LYS B 35 -12.890 -4.436 -16.832 1.00 74.10 H new ATOM 0 HZ3 LYS B 35 -12.919 -3.336 -15.539 1.00 74.10 H new ATOM 1819 N LEU B 36 -9.930 -0.374 -12.168 1.00 64.43 N ATOM 1820 CA LEU B 36 -9.720 -1.107 -10.888 1.00 24.33 C ATOM 1821 C LEU B 36 -11.062 -1.404 -10.177 1.00 14.55 C ATOM 1822 O LEU B 36 -11.970 -0.566 -10.184 1.00 24.25 O ATOM 1823 CB LEU B 36 -8.802 -0.287 -9.931 1.00 12.00 C ATOM 1824 CG LEU B 36 -7.326 -0.089 -10.390 1.00 2.21 C ATOM 1825 CD1 LEU B 36 -6.569 0.883 -9.454 1.00 23.42 C ATOM 1826 CD2 LEU B 36 -6.587 -1.440 -10.521 1.00 4.13 C ATOM 0 H LEU B 36 -9.533 0.565 -12.166 1.00 64.43 H new ATOM 0 HA LEU B 36 -9.239 -2.054 -11.133 1.00 24.33 H new ATOM 0 HB2 LEU B 36 -9.250 0.696 -9.787 1.00 12.00 H new ATOM 0 HB3 LEU B 36 -8.795 -0.780 -8.959 1.00 12.00 H new ATOM 0 HG LEU B 36 -7.351 0.365 -11.381 1.00 2.21 H new ATOM 0 HD11 LEU B 36 -5.543 0.999 -9.803 1.00 23.42 H new ATOM 0 HD12 LEU B 36 -7.065 1.853 -9.459 1.00 23.42 H new ATOM 0 HD13 LEU B 36 -6.565 0.483 -8.440 1.00 23.42 H new ATOM 0 HD21 LEU B 36 -5.561 -1.264 -10.843 1.00 4.13 H new ATOM 0 HD22 LEU B 36 -6.583 -1.947 -9.556 1.00 4.13 H new ATOM 0 HD23 LEU B 36 -7.096 -2.063 -11.256 1.00 4.13 H new ATOM 1838 N LYS B 37 -11.147 -2.576 -9.529 1.00 14.51 N ATOM 1839 CA LYS B 37 -12.386 -3.056 -8.871 1.00 35.23 C ATOM 1840 C LYS B 37 -12.696 -2.280 -7.562 1.00 43.51 C ATOM 1841 O LYS B 37 -13.771 -1.690 -7.416 1.00 53.30 O ATOM 1842 CB LYS B 37 -12.258 -4.577 -8.580 1.00 32.04 C ATOM 1843 CG LYS B 37 -13.457 -5.201 -7.825 1.00 31.22 C ATOM 1844 CD LYS B 37 -13.244 -6.691 -7.476 1.00 30.42 C ATOM 1845 CE LYS B 37 -12.016 -6.929 -6.574 1.00 44.15 C ATOM 1846 NZ LYS B 37 -11.847 -8.364 -6.228 1.00 22.12 N ATOM 0 H LYS B 37 -10.363 -3.222 -9.443 1.00 14.51 H new ATOM 0 HA LYS B 37 -13.219 -2.876 -9.551 1.00 35.23 H new ATOM 0 HB2 LYS B 37 -12.130 -5.103 -9.526 1.00 32.04 H new ATOM 0 HB3 LYS B 37 -11.353 -4.745 -7.996 1.00 32.04 H new ATOM 0 HG2 LYS B 37 -13.632 -4.640 -6.907 1.00 31.22 H new ATOM 0 HG3 LYS B 37 -14.355 -5.102 -8.435 1.00 31.22 H new ATOM 0 HD2 LYS B 37 -14.134 -7.072 -6.976 1.00 30.42 H new ATOM 0 HD3 LYS B 37 -13.127 -7.261 -8.398 1.00 30.42 H new ATOM 0 HE2 LYS B 37 -11.120 -6.571 -7.080 1.00 44.15 H new ATOM 0 HE3 LYS B 37 -12.120 -6.346 -5.659 1.00 44.15 H new ATOM 0 HZ1 LYS B 37 -11.010 -8.479 -5.621 1.00 22.12 H new ATOM 0 HZ2 LYS B 37 -12.691 -8.701 -5.722 1.00 22.12 H new ATOM 0 HZ3 LYS B 37 -11.721 -8.919 -7.099 1.00 22.12 H new ATOM 1860 N ALA B 38 -11.736 -2.281 -6.623 1.00 73.53 N ATOM 1861 CA ALA B 38 -11.926 -1.710 -5.266 1.00 4.53 C ATOM 1862 C ALA B 38 -10.922 -0.577 -4.953 1.00 40.10 C ATOM 1863 O ALA B 38 -10.009 -0.276 -5.738 1.00 22.42 O ATOM 1864 CB ALA B 38 -11.836 -2.839 -4.210 1.00 33.53 C ATOM 0 H ALA B 38 -10.807 -2.674 -6.775 1.00 73.53 H new ATOM 0 HA ALA B 38 -12.917 -1.258 -5.231 1.00 4.53 H new ATOM 0 HB1 ALA B 38 -11.976 -2.418 -3.214 1.00 33.53 H new ATOM 0 HB2 ALA B 38 -12.612 -3.580 -4.403 1.00 33.53 H new ATOM 0 HB3 ALA B 38 -10.857 -3.315 -4.269 1.00 33.53 H new ATOM 1870 N ASP B 39 -11.151 0.056 -3.795 1.00 42.12 N ATOM 1871 CA ASP B 39 -10.279 1.089 -3.199 1.00 60.24 C ATOM 1872 C ASP B 39 -8.844 0.545 -2.954 1.00 64.23 C ATOM 1873 O ASP B 39 -7.849 1.228 -3.226 1.00 3.52 O ATOM 1874 CB ASP B 39 -10.961 1.543 -1.874 1.00 60.10 C ATOM 1875 CG ASP B 39 -10.254 2.684 -1.130 1.00 13.21 C ATOM 1876 OD1 ASP B 39 -10.024 3.744 -1.736 1.00 61.02 O ATOM 1877 OD2 ASP B 39 -9.950 2.533 0.078 1.00 4.13 O ATOM 0 H ASP B 39 -11.974 -0.140 -3.225 1.00 42.12 H new ATOM 0 HA ASP B 39 -10.162 1.936 -3.875 1.00 60.24 H new ATOM 0 HB2 ASP B 39 -11.981 1.855 -2.098 1.00 60.10 H new ATOM 0 HB3 ASP B 39 -11.029 0.684 -1.207 1.00 60.10 H new ATOM 1882 N LYS B 40 -8.781 -0.726 -2.519 1.00 11.33 N ATOM 1883 CA LYS B 40 -7.527 -1.418 -2.120 1.00 65.11 C ATOM 1884 C LYS B 40 -6.578 -1.681 -3.316 1.00 53.34 C ATOM 1885 O LYS B 40 -5.352 -1.614 -3.163 1.00 52.22 O ATOM 1886 CB LYS B 40 -7.890 -2.749 -1.421 1.00 11.41 C ATOM 1887 CG LYS B 40 -8.827 -2.571 -0.207 1.00 45.23 C ATOM 1888 CD LYS B 40 -8.166 -1.809 0.971 1.00 64.31 C ATOM 1889 CE LYS B 40 -9.097 -1.696 2.191 1.00 42.40 C ATOM 1890 NZ LYS B 40 -9.443 -3.033 2.738 1.00 41.42 N ATOM 0 H LYS B 40 -9.608 -1.316 -2.431 1.00 11.33 H new ATOM 0 HA LYS B 40 -6.987 -0.762 -1.437 1.00 65.11 H new ATOM 0 HB2 LYS B 40 -8.366 -3.412 -2.144 1.00 11.41 H new ATOM 0 HB3 LYS B 40 -6.974 -3.240 -1.094 1.00 11.41 H new ATOM 0 HG2 LYS B 40 -9.721 -2.033 -0.523 1.00 45.23 H new ATOM 0 HG3 LYS B 40 -9.151 -3.552 0.140 1.00 45.23 H new ATOM 0 HD2 LYS B 40 -7.249 -2.321 1.263 1.00 64.31 H new ATOM 0 HD3 LYS B 40 -7.882 -0.810 0.640 1.00 64.31 H new ATOM 0 HE2 LYS B 40 -8.614 -1.099 2.965 1.00 42.40 H new ATOM 0 HE3 LYS B 40 -10.009 -1.171 1.907 1.00 42.40 H new ATOM 0 HZ1 LYS B 40 -9.897 -2.921 3.667 1.00 41.42 H new ATOM 0 HZ2 LYS B 40 -10.097 -3.515 2.089 1.00 41.42 H new ATOM 0 HZ3 LYS B 40 -8.577 -3.600 2.842 1.00 41.42 H new ATOM 1904 N ASP B 41 -7.177 -1.945 -4.498 1.00 41.40 N ATOM 1905 CA ASP B 41 -6.455 -2.206 -5.778 1.00 23.42 C ATOM 1906 C ASP B 41 -5.430 -1.093 -6.096 1.00 74.12 C ATOM 1907 O ASP B 41 -4.347 -1.349 -6.642 1.00 42.22 O ATOM 1908 CB ASP B 41 -7.473 -2.292 -6.955 1.00 32.55 C ATOM 1909 CG ASP B 41 -8.510 -3.424 -6.853 1.00 54.01 C ATOM 1910 OD1 ASP B 41 -8.982 -3.726 -5.738 1.00 63.50 O ATOM 1911 OD2 ASP B 41 -8.916 -3.964 -7.904 1.00 14.04 O ATOM 0 H ASP B 41 -8.191 -1.985 -4.599 1.00 41.40 H new ATOM 0 HA ASP B 41 -5.922 -3.150 -5.662 1.00 23.42 H new ATOM 0 HB2 ASP B 41 -8.003 -1.342 -7.024 1.00 32.55 H new ATOM 0 HB3 ASP B 41 -6.917 -2.415 -7.885 1.00 32.55 H new ATOM 1916 N PHE B 42 -5.800 0.143 -5.728 1.00 30.33 N ATOM 1917 CA PHE B 42 -4.979 1.333 -5.972 1.00 34.24 C ATOM 1918 C PHE B 42 -3.730 1.378 -5.060 1.00 43.33 C ATOM 1919 O PHE B 42 -2.656 1.739 -5.514 1.00 24.12 O ATOM 1920 CB PHE B 42 -5.827 2.611 -5.779 1.00 43.11 C ATOM 1921 CG PHE B 42 -5.067 3.896 -6.089 1.00 65.35 C ATOM 1922 CD1 PHE B 42 -4.683 4.181 -7.394 1.00 15.24 C ATOM 1923 CD2 PHE B 42 -4.722 4.810 -5.086 1.00 0.55 C ATOM 1924 CE1 PHE B 42 -3.987 5.327 -7.689 1.00 21.25 C ATOM 1925 CE2 PHE B 42 -4.027 5.963 -5.389 1.00 54.24 C ATOM 1926 CZ PHE B 42 -3.660 6.222 -6.695 1.00 72.21 C ATOM 0 H PHE B 42 -6.680 0.343 -5.252 1.00 30.33 H new ATOM 0 HA PHE B 42 -4.627 1.281 -7.002 1.00 34.24 H new ATOM 0 HB2 PHE B 42 -6.707 2.554 -6.420 1.00 43.11 H new ATOM 0 HB3 PHE B 42 -6.185 2.649 -4.750 1.00 43.11 H new ATOM 0 HD1 PHE B 42 -4.935 3.492 -8.186 1.00 15.24 H new ATOM 0 HD2 PHE B 42 -5.003 4.610 -4.063 1.00 0.55 H new ATOM 0 HE1 PHE B 42 -3.694 5.528 -8.709 1.00 21.25 H new ATOM 0 HE2 PHE B 42 -3.771 6.662 -4.606 1.00 54.24 H new ATOM 0 HZ PHE B 42 -3.118 7.124 -6.936 1.00 72.21 H new ATOM 1936 N PHE B 43 -3.893 1.032 -3.774 1.00 21.13 N ATOM 1937 CA PHE B 43 -2.796 1.102 -2.767 1.00 53.00 C ATOM 1938 C PHE B 43 -1.692 0.046 -3.027 1.00 44.24 C ATOM 1939 O PHE B 43 -0.509 0.303 -2.773 1.00 71.02 O ATOM 1940 CB PHE B 43 -3.370 0.945 -1.340 1.00 21.22 C ATOM 1941 CG PHE B 43 -4.466 1.956 -1.014 1.00 21.31 C ATOM 1942 CD1 PHE B 43 -4.183 3.323 -0.935 1.00 4.13 C ATOM 1943 CD2 PHE B 43 -5.776 1.546 -0.798 1.00 33.51 C ATOM 1944 CE1 PHE B 43 -5.181 4.231 -0.650 1.00 54.22 C ATOM 1945 CE2 PHE B 43 -6.762 2.453 -0.514 1.00 41.30 C ATOM 1946 CZ PHE B 43 -6.471 3.798 -0.438 1.00 20.23 C ATOM 0 H PHE B 43 -4.778 0.697 -3.394 1.00 21.13 H new ATOM 0 HA PHE B 43 -2.330 2.083 -2.861 1.00 53.00 H new ATOM 0 HB2 PHE B 43 -3.770 -0.063 -1.226 1.00 21.22 H new ATOM 0 HB3 PHE B 43 -2.561 1.051 -0.617 1.00 21.22 H new ATOM 0 HD1 PHE B 43 -3.174 3.671 -1.099 1.00 4.13 H new ATOM 0 HD2 PHE B 43 -6.020 0.496 -0.855 1.00 33.51 H new ATOM 0 HE1 PHE B 43 -4.950 5.285 -0.593 1.00 54.22 H new ATOM 0 HE2 PHE B 43 -7.773 2.112 -0.349 1.00 41.30 H new ATOM 0 HZ PHE B 43 -7.252 4.510 -0.213 1.00 20.23 H new ATOM 1956 N LEU B 44 -2.099 -1.135 -3.535 1.00 15.51 N ATOM 1957 CA LEU B 44 -1.159 -2.206 -3.966 1.00 12.00 C ATOM 1958 C LEU B 44 -0.286 -1.733 -5.162 1.00 54.52 C ATOM 1959 O LEU B 44 0.912 -2.038 -5.232 1.00 44.41 O ATOM 1960 CB LEU B 44 -1.941 -3.510 -4.340 1.00 73.34 C ATOM 1961 CG LEU B 44 -2.349 -4.455 -3.154 1.00 63.31 C ATOM 1962 CD1 LEU B 44 -3.298 -3.776 -2.140 1.00 61.42 C ATOM 1963 CD2 LEU B 44 -2.944 -5.785 -3.685 1.00 71.10 C ATOM 0 H LEU B 44 -3.082 -1.379 -3.660 1.00 15.51 H new ATOM 0 HA LEU B 44 -0.497 -2.428 -3.129 1.00 12.00 H new ATOM 0 HB2 LEU B 44 -2.848 -3.222 -4.872 1.00 73.34 H new ATOM 0 HB3 LEU B 44 -1.331 -4.084 -5.037 1.00 73.34 H new ATOM 0 HG LEU B 44 -1.434 -4.682 -2.606 1.00 63.31 H new ATOM 0 HD11 LEU B 44 -3.544 -4.479 -1.344 1.00 61.42 H new ATOM 0 HD12 LEU B 44 -2.808 -2.901 -1.713 1.00 61.42 H new ATOM 0 HD13 LEU B 44 -4.212 -3.468 -2.647 1.00 61.42 H new ATOM 0 HD21 LEU B 44 -3.219 -6.422 -2.844 1.00 71.10 H new ATOM 0 HD22 LEU B 44 -3.829 -5.574 -4.285 1.00 71.10 H new ATOM 0 HD23 LEU B 44 -2.203 -6.295 -4.300 1.00 71.10 H new ATOM 1975 N GLY B 45 -0.913 -0.975 -6.080 1.00 43.30 N ATOM 1976 CA GLY B 45 -0.221 -0.417 -7.244 1.00 24.21 C ATOM 1977 C GLY B 45 0.677 0.783 -6.908 1.00 74.22 C ATOM 1978 O GLY B 45 1.884 0.729 -7.098 1.00 61.11 O ATOM 0 H GLY B 45 -1.904 -0.737 -6.032 1.00 43.30 H new ATOM 0 HA2 GLY B 45 0.386 -1.197 -7.704 1.00 24.21 H new ATOM 0 HA3 GLY B 45 -0.961 -0.111 -7.984 1.00 24.21 H new ATOM 1982 N LEU B 46 0.066 1.852 -6.375 1.00 53.14 N ATOM 1983 CA LEU B 46 0.756 3.124 -6.027 1.00 61.40 C ATOM 1984 C LEU B 46 1.916 2.917 -5.010 1.00 45.32 C ATOM 1985 O LEU B 46 2.946 3.588 -5.089 1.00 2.14 O ATOM 1986 CB LEU B 46 -0.259 4.147 -5.445 1.00 22.32 C ATOM 1987 CG LEU B 46 0.329 5.557 -5.122 1.00 43.35 C ATOM 1988 CD1 LEU B 46 0.771 6.288 -6.414 1.00 42.55 C ATOM 1989 CD2 LEU B 46 -0.645 6.403 -4.268 1.00 52.04 C ATOM 0 H LEU B 46 -0.933 1.867 -6.167 1.00 53.14 H new ATOM 0 HA LEU B 46 1.188 3.507 -6.951 1.00 61.40 H new ATOM 0 HB2 LEU B 46 -1.078 4.266 -6.155 1.00 22.32 H new ATOM 0 HB3 LEU B 46 -0.686 3.732 -4.532 1.00 22.32 H new ATOM 0 HG LEU B 46 1.223 5.413 -4.515 1.00 43.35 H new ATOM 0 HD11 LEU B 46 1.176 7.267 -6.158 1.00 42.55 H new ATOM 0 HD12 LEU B 46 1.536 5.700 -6.921 1.00 42.55 H new ATOM 0 HD13 LEU B 46 -0.088 6.412 -7.074 1.00 42.55 H new ATOM 0 HD21 LEU B 46 -0.199 7.377 -4.065 1.00 52.04 H new ATOM 0 HD22 LEU B 46 -1.581 6.539 -4.810 1.00 52.04 H new ATOM 0 HD23 LEU B 46 -0.842 5.891 -3.326 1.00 52.04 H new ATOM 2001 N GLY B 47 1.729 1.968 -4.077 1.00 53.14 N ATOM 2002 CA GLY B 47 2.754 1.627 -3.067 1.00 72.13 C ATOM 2003 C GLY B 47 4.018 1.025 -3.692 1.00 61.21 C ATOM 2004 O GLY B 47 5.134 1.196 -3.185 1.00 13.05 O ATOM 0 H GLY B 47 0.873 1.419 -3.999 1.00 53.14 H new ATOM 0 HA2 GLY B 47 3.021 2.524 -2.508 1.00 72.13 H new ATOM 0 HA3 GLY B 47 2.334 0.919 -2.352 1.00 72.13 H new ATOM 2008 N TRP B 48 3.814 0.315 -4.810 1.00 32.24 N ATOM 2009 CA TRP B 48 4.892 -0.254 -5.638 1.00 74.04 C ATOM 2010 C TRP B 48 5.606 0.864 -6.467 1.00 24.41 C ATOM 2011 O TRP B 48 6.810 0.810 -6.715 1.00 14.43 O ATOM 2012 CB TRP B 48 4.279 -1.325 -6.572 1.00 51.32 C ATOM 2013 CG TRP B 48 5.282 -2.237 -7.226 1.00 74.14 C ATOM 2014 CD1 TRP B 48 6.106 -1.955 -8.278 1.00 35.51 C ATOM 2015 CD2 TRP B 48 5.546 -3.588 -6.863 1.00 33.51 C ATOM 2016 NE1 TRP B 48 6.883 -3.039 -8.563 1.00 64.41 N ATOM 2017 CE2 TRP B 48 6.552 -4.056 -7.714 1.00 53.42 C ATOM 2018 CE3 TRP B 48 5.027 -4.443 -5.888 1.00 33.03 C ATOM 2019 CZ2 TRP B 48 7.057 -5.335 -7.625 1.00 65.02 C ATOM 2020 CZ3 TRP B 48 5.527 -5.720 -5.803 1.00 43.53 C ATOM 2021 CH2 TRP B 48 6.536 -6.161 -6.663 1.00 51.34 C ATOM 0 H TRP B 48 2.882 0.115 -5.172 1.00 32.24 H new ATOM 0 HA TRP B 48 5.645 -0.713 -4.997 1.00 74.04 H new ATOM 0 HB2 TRP B 48 3.578 -1.931 -5.997 1.00 51.32 H new ATOM 0 HB3 TRP B 48 3.703 -0.823 -7.350 1.00 51.32 H new ATOM 0 HD1 TRP B 48 6.138 -1.013 -8.806 1.00 35.51 H new ATOM 0 HE1 TRP B 48 7.595 -3.083 -9.292 1.00 64.41 H new ATOM 0 HE3 TRP B 48 4.250 -4.108 -5.216 1.00 33.03 H new ATOM 0 HZ2 TRP B 48 7.837 -5.675 -8.290 1.00 65.02 H new ATOM 0 HZ3 TRP B 48 5.133 -6.395 -5.058 1.00 43.53 H new ATOM 0 HH2 TRP B 48 6.912 -7.169 -6.568 1.00 51.34 H new ATOM 2032 N LEU B 49 4.838 1.871 -6.901 1.00 4.33 N ATOM 2033 CA LEU B 49 5.383 3.071 -7.598 1.00 14.11 C ATOM 2034 C LEU B 49 6.259 3.918 -6.631 1.00 52.23 C ATOM 2035 O LEU B 49 7.265 4.508 -7.038 1.00 22.30 O ATOM 2036 CB LEU B 49 4.214 3.912 -8.198 1.00 23.35 C ATOM 2037 CG LEU B 49 3.614 3.439 -9.571 1.00 62.25 C ATOM 2038 CD1 LEU B 49 3.354 1.939 -9.605 1.00 20.42 C ATOM 2039 CD2 LEU B 49 2.318 4.214 -9.907 1.00 50.52 C ATOM 0 H LEU B 49 3.825 1.889 -6.786 1.00 4.33 H new ATOM 0 HA LEU B 49 6.025 2.747 -8.417 1.00 14.11 H new ATOM 0 HB2 LEU B 49 3.406 3.935 -7.467 1.00 23.35 H new ATOM 0 HB3 LEU B 49 4.564 4.937 -8.319 1.00 23.35 H new ATOM 0 HG LEU B 49 4.364 3.658 -10.331 1.00 62.25 H new ATOM 0 HD11 LEU B 49 2.940 1.663 -10.575 1.00 20.42 H new ATOM 0 HD12 LEU B 49 4.290 1.404 -9.445 1.00 20.42 H new ATOM 0 HD13 LEU B 49 2.646 1.675 -8.820 1.00 20.42 H new ATOM 0 HD21 LEU B 49 1.924 3.867 -10.862 1.00 50.52 H new ATOM 0 HD22 LEU B 49 1.578 4.042 -9.125 1.00 50.52 H new ATOM 0 HD23 LEU B 49 2.538 5.280 -9.971 1.00 50.52 H new ATOM 2051 N LEU B 50 5.851 3.952 -5.347 1.00 41.42 N ATOM 2052 CA LEU B 50 6.616 4.581 -4.244 1.00 1.40 C ATOM 2053 C LEU B 50 7.876 3.761 -3.872 1.00 43.41 C ATOM 2054 O LEU B 50 8.900 4.345 -3.499 1.00 1.34 O ATOM 2055 CB LEU B 50 5.711 4.764 -2.990 1.00 45.01 C ATOM 2056 CG LEU B 50 4.626 5.880 -3.101 1.00 33.10 C ATOM 2057 CD1 LEU B 50 3.647 5.847 -1.903 1.00 73.31 C ATOM 2058 CD2 LEU B 50 5.291 7.270 -3.259 1.00 2.13 C ATOM 0 H LEU B 50 4.970 3.539 -5.040 1.00 41.42 H new ATOM 0 HA LEU B 50 6.947 5.558 -4.596 1.00 1.40 H new ATOM 0 HB2 LEU B 50 5.213 3.817 -2.782 1.00 45.01 H new ATOM 0 HB3 LEU B 50 6.348 4.985 -2.133 1.00 45.01 H new ATOM 0 HG LEU B 50 4.034 5.686 -3.995 1.00 33.10 H new ATOM 0 HD11 LEU B 50 2.907 6.639 -2.016 1.00 73.31 H new ATOM 0 HD12 LEU B 50 3.143 4.881 -1.871 1.00 73.31 H new ATOM 0 HD13 LEU B 50 4.201 5.998 -0.976 1.00 73.31 H new ATOM 0 HD21 LEU B 50 4.519 8.036 -3.335 1.00 2.13 H new ATOM 0 HD22 LEU B 50 5.920 7.473 -2.392 1.00 2.13 H new ATOM 0 HD23 LEU B 50 5.902 7.280 -4.161 1.00 2.13 H new ATOM 2070 N ARG B 51 7.787 2.408 -3.963 1.00 75.22 N ATOM 2071 CA ARG B 51 8.920 1.498 -3.620 1.00 24.03 C ATOM 2072 C ARG B 51 10.172 1.751 -4.503 1.00 61.32 C ATOM 2073 O ARG B 51 11.304 1.478 -4.084 1.00 35.42 O ATOM 2074 CB ARG B 51 8.499 -0.018 -3.685 1.00 64.24 C ATOM 2075 CG ARG B 51 8.784 -0.793 -5.008 1.00 20.12 C ATOM 2076 CD ARG B 51 8.602 -2.312 -4.884 1.00 54.21 C ATOM 2077 NE ARG B 51 9.095 -3.009 -6.090 1.00 34.21 N ATOM 2078 CZ ARG B 51 10.007 -3.958 -6.105 1.00 5.40 C ATOM 2079 NH1 ARG B 51 10.617 -4.331 -5.018 1.00 30.35 N ATOM 2080 NH2 ARG B 51 10.320 -4.519 -7.227 1.00 13.41 N ATOM 0 H ARG B 51 6.945 1.921 -4.270 1.00 75.22 H new ATOM 0 HA ARG B 51 9.190 1.731 -2.590 1.00 24.03 H new ATOM 0 HB2 ARG B 51 9.005 -0.542 -2.874 1.00 64.24 H new ATOM 0 HB3 ARG B 51 7.429 -0.078 -3.485 1.00 64.24 H new ATOM 0 HG2 ARG B 51 8.121 -0.419 -5.788 1.00 20.12 H new ATOM 0 HG3 ARG B 51 9.804 -0.583 -5.329 1.00 20.12 H new ATOM 0 HD2 ARG B 51 9.137 -2.675 -4.007 1.00 54.21 H new ATOM 0 HD3 ARG B 51 7.548 -2.544 -4.732 1.00 54.21 H new ATOM 0 HE ARG B 51 8.695 -2.731 -6.986 1.00 34.21 H new ATOM 0 HH11 ARG B 51 10.392 -3.886 -4.128 1.00 30.35 H new ATOM 0 HH12 ARG B 51 11.320 -5.069 -5.055 1.00 30.35 H new ATOM 0 HH21 ARG B 51 9.862 -4.225 -8.089 1.00 13.41 H new ATOM 0 HH22 ARG B 51 11.025 -5.255 -7.250 1.00 13.41 H new ATOM 2094 N GLU B 52 9.936 2.251 -5.732 1.00 31.14 N ATOM 2095 CA GLU B 52 10.996 2.601 -6.706 1.00 51.22 C ATOM 2096 C GLU B 52 11.073 4.132 -6.952 1.00 11.31 C ATOM 2097 O GLU B 52 11.952 4.587 -7.688 1.00 34.53 O ATOM 2098 CB GLU B 52 10.725 1.850 -8.042 1.00 53.34 C ATOM 2099 CG GLU B 52 10.775 0.311 -7.931 1.00 52.12 C ATOM 2100 CD GLU B 52 10.192 -0.411 -9.153 1.00 2.45 C ATOM 2101 OE1 GLU B 52 10.824 -0.402 -10.228 1.00 72.34 O ATOM 2102 OE2 GLU B 52 9.078 -0.962 -9.059 1.00 14.20 O ATOM 0 H GLU B 52 8.994 2.426 -6.083 1.00 31.14 H new ATOM 0 HA GLU B 52 11.958 2.295 -6.295 1.00 51.22 H new ATOM 0 HB2 GLU B 52 9.744 2.143 -8.417 1.00 53.34 H new ATOM 0 HB3 GLU B 52 11.458 2.173 -8.781 1.00 53.34 H new ATOM 0 HG2 GLU B 52 11.810 -0.002 -7.794 1.00 52.12 H new ATOM 0 HG3 GLU B 52 10.228 0.001 -7.041 1.00 52.12 H new ATOM 2109 N ASP B 53 10.138 4.908 -6.333 1.00 24.43 N ATOM 2110 CA ASP B 53 9.989 6.391 -6.492 1.00 71.11 C ATOM 2111 C ASP B 53 9.984 6.848 -7.972 1.00 1.30 C ATOM 2112 O ASP B 53 10.712 7.747 -8.384 1.00 51.23 O ATOM 2113 CB ASP B 53 10.957 7.233 -5.588 1.00 51.33 C ATOM 2114 CG ASP B 53 12.455 6.923 -5.741 1.00 33.22 C ATOM 2115 OD1 ASP B 53 13.129 7.535 -6.595 1.00 41.11 O ATOM 2116 OD2 ASP B 53 12.973 6.073 -4.980 1.00 25.42 O ATOM 0 H ASP B 53 9.449 4.513 -5.693 1.00 24.43 H new ATOM 0 HA ASP B 53 8.992 6.612 -6.110 1.00 71.11 H new ATOM 0 HB2 ASP B 53 10.800 8.289 -5.806 1.00 51.33 H new ATOM 0 HB3 ASP B 53 10.678 7.077 -4.546 1.00 51.33 H new ATOM 2121 N LYS B 54 9.124 6.185 -8.759 1.00 64.24 N ATOM 2122 CA LYS B 54 8.827 6.564 -10.161 1.00 50.43 C ATOM 2123 C LYS B 54 7.685 7.613 -10.218 1.00 2.34 C ATOM 2124 O LYS B 54 7.370 8.153 -11.286 1.00 21.41 O ATOM 2125 CB LYS B 54 8.461 5.283 -10.963 1.00 60.10 C ATOM 2126 CG LYS B 54 9.614 4.251 -11.029 1.00 53.14 C ATOM 2127 CD LYS B 54 9.213 2.907 -11.684 1.00 23.33 C ATOM 2128 CE LYS B 54 8.149 2.127 -10.881 1.00 65.15 C ATOM 2129 NZ LYS B 54 8.029 0.714 -11.337 1.00 33.24 N ATOM 0 H LYS B 54 8.608 5.364 -8.444 1.00 64.24 H new ATOM 0 HA LYS B 54 9.707 7.024 -10.610 1.00 50.43 H new ATOM 0 HB2 LYS B 54 7.589 4.814 -10.507 1.00 60.10 H new ATOM 0 HB3 LYS B 54 8.178 5.566 -11.977 1.00 60.10 H new ATOM 0 HG2 LYS B 54 10.444 4.683 -11.587 1.00 53.14 H new ATOM 0 HG3 LYS B 54 9.975 4.059 -10.019 1.00 53.14 H new ATOM 0 HD2 LYS B 54 8.832 3.099 -12.687 1.00 23.33 H new ATOM 0 HD3 LYS B 54 10.102 2.286 -11.795 1.00 23.33 H new ATOM 0 HE2 LYS B 54 8.409 2.145 -9.823 1.00 65.15 H new ATOM 0 HE3 LYS B 54 7.184 2.623 -10.981 1.00 65.15 H new ATOM 0 HZ1 LYS B 54 7.112 0.578 -11.808 1.00 33.24 H new ATOM 0 HZ2 LYS B 54 8.796 0.498 -12.005 1.00 33.24 H new ATOM 0 HZ3 LYS B 54 8.095 0.078 -10.517 1.00 33.24 H new ATOM 2143 N VAL B 55 7.081 7.900 -9.039 1.00 23.50 N ATOM 2144 CA VAL B 55 5.983 8.881 -8.881 1.00 23.12 C ATOM 2145 C VAL B 55 6.257 9.878 -7.734 1.00 1.23 C ATOM 2146 O VAL B 55 7.071 9.620 -6.841 1.00 52.11 O ATOM 2147 CB VAL B 55 4.605 8.172 -8.602 1.00 23.11 C ATOM 2148 CG1 VAL B 55 4.179 7.299 -9.803 1.00 42.34 C ATOM 2149 CG2 VAL B 55 4.637 7.359 -7.277 1.00 31.54 C ATOM 0 H VAL B 55 7.347 7.451 -8.162 1.00 23.50 H new ATOM 0 HA VAL B 55 5.932 9.423 -9.825 1.00 23.12 H new ATOM 0 HB VAL B 55 3.850 8.948 -8.477 1.00 23.11 H new ATOM 0 HG11 VAL B 55 3.224 6.821 -9.585 1.00 42.34 H new ATOM 0 HG12 VAL B 55 4.077 7.925 -10.690 1.00 42.34 H new ATOM 0 HG13 VAL B 55 4.935 6.535 -9.984 1.00 42.34 H new ATOM 0 HG21 VAL B 55 3.669 6.884 -7.118 1.00 31.54 H new ATOM 0 HG22 VAL B 55 5.411 6.594 -7.338 1.00 31.54 H new ATOM 0 HG23 VAL B 55 4.854 8.028 -6.445 1.00 31.54 H new ATOM 2159 N VAL B 56 5.561 11.028 -7.791 1.00 44.23 N ATOM 2160 CA VAL B 56 5.433 11.964 -6.656 1.00 31.32 C ATOM 2161 C VAL B 56 3.947 12.045 -6.229 1.00 14.32 C ATOM 2162 O VAL B 56 3.074 12.371 -7.033 1.00 63.52 O ATOM 2163 CB VAL B 56 6.030 13.394 -6.993 1.00 50.22 C ATOM 2164 CG1 VAL B 56 5.448 13.981 -8.310 1.00 63.51 C ATOM 2165 CG2 VAL B 56 5.852 14.375 -5.797 1.00 51.23 C ATOM 0 H VAL B 56 5.069 11.337 -8.629 1.00 44.23 H new ATOM 0 HA VAL B 56 6.021 11.585 -5.820 1.00 31.32 H new ATOM 0 HB VAL B 56 7.099 13.263 -7.158 1.00 50.22 H new ATOM 0 HG11 VAL B 56 5.888 14.961 -8.497 1.00 63.51 H new ATOM 0 HG12 VAL B 56 5.681 13.314 -9.140 1.00 63.51 H new ATOM 0 HG13 VAL B 56 4.366 14.080 -8.217 1.00 63.51 H new ATOM 0 HG21 VAL B 56 6.271 15.347 -6.058 1.00 51.23 H new ATOM 0 HG22 VAL B 56 4.791 14.486 -5.572 1.00 51.23 H new ATOM 0 HG23 VAL B 56 6.369 13.980 -4.922 1.00 51.23 H new ATOM 2175 N THR B 57 3.665 11.737 -4.954 1.00 31.15 N ATOM 2176 CA THR B 57 2.281 11.644 -4.430 1.00 23.42 C ATOM 2177 C THR B 57 1.923 12.876 -3.580 1.00 42.42 C ATOM 2178 O THR B 57 2.784 13.462 -2.912 1.00 34.53 O ATOM 2179 CB THR B 57 2.076 10.341 -3.584 1.00 63.34 C ATOM 2180 OG1 THR B 57 2.957 10.345 -2.463 1.00 70.30 O ATOM 2181 CG2 THR B 57 2.329 9.072 -4.415 1.00 62.35 C ATOM 0 H THR B 57 4.382 11.545 -4.254 1.00 31.15 H new ATOM 0 HA THR B 57 1.616 11.607 -5.293 1.00 23.42 H new ATOM 0 HB THR B 57 1.038 10.331 -3.250 1.00 63.34 H new ATOM 0 HG1 THR B 57 2.822 9.529 -1.938 1.00 70.30 H new ATOM 0 HG21 THR B 57 2.176 8.192 -3.791 1.00 62.35 H new ATOM 0 HG22 THR B 57 1.637 9.044 -5.257 1.00 62.35 H new ATOM 0 HG23 THR B 57 3.353 9.079 -4.787 1.00 62.35 H new ATOM 2189 N SER B 58 0.642 13.260 -3.620 1.00 52.24 N ATOM 2190 CA SER B 58 0.103 14.433 -2.893 1.00 63.20 C ATOM 2191 C SER B 58 -1.321 14.134 -2.385 1.00 10.24 C ATOM 2192 O SER B 58 -1.962 13.163 -2.810 1.00 75.22 O ATOM 2193 CB SER B 58 0.083 15.685 -3.818 1.00 3.05 C ATOM 2194 OG SER B 58 1.392 16.050 -4.247 1.00 31.11 O ATOM 0 H SER B 58 -0.065 12.764 -4.163 1.00 52.24 H new ATOM 0 HA SER B 58 0.750 14.638 -2.040 1.00 63.20 H new ATOM 0 HB2 SER B 58 -0.541 15.483 -4.689 1.00 3.05 H new ATOM 0 HB3 SER B 58 -0.371 16.521 -3.287 1.00 3.05 H new ATOM 0 HG SER B 58 1.338 16.838 -4.827 1.00 31.11 H new ATOM 2200 N GLU B 59 -1.812 14.988 -1.482 1.00 21.32 N ATOM 2201 CA GLU B 59 -3.180 14.905 -0.946 1.00 52.43 C ATOM 2202 C GLU B 59 -3.959 16.190 -1.304 1.00 45.55 C ATOM 2203 O GLU B 59 -3.530 17.296 -0.969 1.00 14.45 O ATOM 2204 CB GLU B 59 -3.142 14.690 0.592 1.00 62.14 C ATOM 2205 CG GLU B 59 -4.524 14.528 1.252 1.00 22.31 C ATOM 2206 CD GLU B 59 -4.440 14.289 2.770 1.00 21.21 C ATOM 2207 OE1 GLU B 59 -4.311 15.275 3.539 1.00 72.21 O ATOM 2208 OE2 GLU B 59 -4.490 13.119 3.205 1.00 13.34 O ATOM 0 H GLU B 59 -1.270 15.762 -1.098 1.00 21.32 H new ATOM 0 HA GLU B 59 -3.691 14.053 -1.394 1.00 52.43 H new ATOM 0 HB2 GLU B 59 -2.545 13.803 0.807 1.00 62.14 H new ATOM 0 HB3 GLU B 59 -2.632 15.537 1.051 1.00 62.14 H new ATOM 0 HG2 GLU B 59 -5.118 15.422 1.063 1.00 22.31 H new ATOM 0 HG3 GLU B 59 -5.047 13.693 0.786 1.00 22.31 H new ATOM 2215 N VAL B 60 -5.089 16.021 -2.013 1.00 53.31 N ATOM 2216 CA VAL B 60 -6.030 17.114 -2.339 1.00 52.21 C ATOM 2217 C VAL B 60 -7.355 16.883 -1.581 1.00 3.33 C ATOM 2218 O VAL B 60 -8.137 15.988 -1.933 1.00 64.51 O ATOM 2219 CB VAL B 60 -6.299 17.215 -3.896 1.00 63.35 C ATOM 2220 CG1 VAL B 60 -7.463 18.193 -4.232 1.00 13.34 C ATOM 2221 CG2 VAL B 60 -5.012 17.629 -4.641 1.00 30.34 C ATOM 0 H VAL B 60 -5.380 15.115 -2.380 1.00 53.31 H new ATOM 0 HA VAL B 60 -5.582 18.058 -2.028 1.00 52.21 H new ATOM 0 HB VAL B 60 -6.604 16.225 -4.235 1.00 63.35 H new ATOM 0 HG11 VAL B 60 -7.609 18.228 -5.312 1.00 13.34 H new ATOM 0 HG12 VAL B 60 -8.379 17.847 -3.753 1.00 13.34 H new ATOM 0 HG13 VAL B 60 -7.217 19.190 -3.867 1.00 13.34 H new ATOM 0 HG21 VAL B 60 -5.215 17.694 -5.710 1.00 30.34 H new ATOM 0 HG22 VAL B 60 -4.677 18.600 -4.276 1.00 30.34 H new ATOM 0 HG23 VAL B 60 -4.234 16.886 -4.464 1.00 30.34 H new ATOM 2231 N GLU B 61 -7.566 17.711 -0.541 1.00 60.24 N ATOM 2232 CA GLU B 61 -8.835 17.830 0.224 1.00 42.51 C ATOM 2233 C GLU B 61 -9.437 16.455 0.636 1.00 75.11 C ATOM 2234 O GLU B 61 -10.608 16.163 0.380 1.00 22.24 O ATOM 2235 CB GLU B 61 -9.837 18.712 -0.587 1.00 54.43 C ATOM 2236 CG GLU B 61 -9.193 19.951 -1.263 1.00 74.14 C ATOM 2237 CD GLU B 61 -8.420 20.858 -0.287 1.00 34.04 C ATOM 2238 OE1 GLU B 61 -9.045 21.669 0.422 1.00 3.22 O ATOM 2239 OE2 GLU B 61 -7.172 20.747 -0.212 1.00 5.02 O ATOM 0 H GLU B 61 -6.840 18.338 -0.194 1.00 60.24 H new ATOM 0 HA GLU B 61 -8.620 18.322 1.173 1.00 42.51 H new ATOM 0 HB2 GLU B 61 -10.306 18.096 -1.355 1.00 54.43 H new ATOM 0 HB3 GLU B 61 -10.630 19.048 0.081 1.00 54.43 H new ATOM 0 HG2 GLU B 61 -8.514 19.614 -2.047 1.00 74.14 H new ATOM 0 HG3 GLU B 61 -9.974 20.536 -1.748 1.00 74.14 H new ATOM 2246 N GLY B 62 -8.586 15.611 1.250 1.00 52.14 N ATOM 2247 CA GLY B 62 -8.967 14.260 1.704 1.00 74.44 C ATOM 2248 C GLY B 62 -8.717 13.135 0.677 1.00 55.14 C ATOM 2249 O GLY B 62 -8.506 11.977 1.065 1.00 52.04 O ATOM 0 H GLY B 62 -7.613 15.847 1.445 1.00 52.14 H new ATOM 0 HA2 GLY B 62 -8.415 14.030 2.615 1.00 74.44 H new ATOM 0 HA3 GLY B 62 -10.025 14.265 1.965 1.00 74.44 H new ATOM 2253 N GLU B 63 -8.733 13.467 -0.633 1.00 32.41 N ATOM 2254 CA GLU B 63 -8.472 12.489 -1.728 1.00 30.03 C ATOM 2255 C GLU B 63 -6.974 12.449 -2.119 1.00 2.43 C ATOM 2256 O GLU B 63 -6.237 13.413 -1.912 1.00 12.54 O ATOM 2257 CB GLU B 63 -9.343 12.809 -2.981 1.00 51.33 C ATOM 2258 CG GLU B 63 -10.863 12.673 -2.751 1.00 71.05 C ATOM 2259 CD GLU B 63 -11.674 12.683 -4.060 1.00 60.32 C ATOM 2260 OE1 GLU B 63 -11.888 11.595 -4.646 1.00 64.23 O ATOM 2261 OE2 GLU B 63 -12.099 13.769 -4.516 1.00 72.15 O ATOM 0 H GLU B 63 -8.925 14.412 -0.966 1.00 32.41 H new ATOM 0 HA GLU B 63 -8.747 11.505 -1.349 1.00 30.03 H new ATOM 0 HB2 GLU B 63 -9.127 13.826 -3.309 1.00 51.33 H new ATOM 0 HB3 GLU B 63 -9.049 12.143 -3.792 1.00 51.33 H new ATOM 0 HG2 GLU B 63 -11.062 11.745 -2.214 1.00 71.05 H new ATOM 0 HG3 GLU B 63 -11.203 13.489 -2.114 1.00 71.05 H new ATOM 2268 N ILE B 64 -6.537 11.306 -2.674 1.00 74.20 N ATOM 2269 CA ILE B 64 -5.152 11.116 -3.160 1.00 61.03 C ATOM 2270 C ILE B 64 -5.017 11.569 -4.637 1.00 71.21 C ATOM 2271 O ILE B 64 -5.729 11.073 -5.508 1.00 65.43 O ATOM 2272 CB ILE B 64 -4.721 9.606 -3.009 1.00 0.32 C ATOM 2273 CG1 ILE B 64 -4.850 9.155 -1.517 1.00 11.32 C ATOM 2274 CG2 ILE B 64 -3.288 9.352 -3.543 1.00 63.43 C ATOM 2275 CD1 ILE B 64 -4.494 7.699 -1.253 1.00 63.32 C ATOM 0 H ILE B 64 -7.130 10.486 -2.800 1.00 74.20 H new ATOM 0 HA ILE B 64 -4.490 11.733 -2.552 1.00 61.03 H new ATOM 0 HB ILE B 64 -5.396 9.006 -3.619 1.00 0.32 H new ATOM 0 HG12 ILE B 64 -4.207 9.787 -0.905 1.00 11.32 H new ATOM 0 HG13 ILE B 64 -5.875 9.329 -1.188 1.00 11.32 H new ATOM 0 HG21 ILE B 64 -3.035 8.299 -3.418 1.00 63.43 H new ATOM 0 HG22 ILE B 64 -3.242 9.614 -4.600 1.00 63.43 H new ATOM 0 HG23 ILE B 64 -2.578 9.964 -2.986 1.00 63.43 H new ATOM 0 HD11 ILE B 64 -4.614 7.482 -0.192 1.00 63.32 H new ATOM 0 HD12 ILE B 64 -5.153 7.052 -1.833 1.00 63.32 H new ATOM 0 HD13 ILE B 64 -3.460 7.519 -1.545 1.00 63.32 H new ATOM 2287 N PHE B 65 -4.098 12.520 -4.890 1.00 61.12 N ATOM 2288 CA PHE B 65 -3.729 12.987 -6.251 1.00 12.32 C ATOM 2289 C PHE B 65 -2.218 12.767 -6.460 1.00 74.14 C ATOM 2290 O PHE B 65 -1.404 13.243 -5.669 1.00 13.02 O ATOM 2291 CB PHE B 65 -4.079 14.491 -6.450 1.00 22.14 C ATOM 2292 CG PHE B 65 -3.587 15.079 -7.784 1.00 35.21 C ATOM 2293 CD1 PHE B 65 -4.236 14.779 -8.979 1.00 11.01 C ATOM 2294 CD2 PHE B 65 -2.452 15.903 -7.843 1.00 52.13 C ATOM 2295 CE1 PHE B 65 -3.778 15.278 -10.184 1.00 20.14 C ATOM 2296 CE2 PHE B 65 -1.992 16.395 -9.053 1.00 54.24 C ATOM 2297 CZ PHE B 65 -2.656 16.083 -10.222 1.00 51.43 C ATOM 0 H PHE B 65 -3.581 12.995 -4.150 1.00 61.12 H new ATOM 0 HA PHE B 65 -4.299 12.416 -6.984 1.00 12.32 H new ATOM 0 HB2 PHE B 65 -5.160 14.613 -6.388 1.00 22.14 H new ATOM 0 HB3 PHE B 65 -3.647 15.065 -5.631 1.00 22.14 H new ATOM 0 HD1 PHE B 65 -5.111 14.146 -8.964 1.00 11.01 H new ATOM 0 HD2 PHE B 65 -1.930 16.157 -6.932 1.00 52.13 H new ATOM 0 HE1 PHE B 65 -4.299 15.038 -11.099 1.00 20.14 H new ATOM 0 HE2 PHE B 65 -1.114 17.023 -9.082 1.00 54.24 H new ATOM 0 HZ PHE B 65 -2.299 16.468 -11.166 1.00 51.43 H new ATOM 2307 N VAL B 66 -1.841 12.061 -7.538 1.00 25.34 N ATOM 2308 CA VAL B 66 -0.432 11.661 -7.784 1.00 62.22 C ATOM 2309 C VAL B 66 0.033 12.035 -9.213 1.00 21.43 C ATOM 2310 O VAL B 66 -0.783 12.157 -10.127 1.00 32.21 O ATOM 2311 CB VAL B 66 -0.234 10.114 -7.531 1.00 33.42 C ATOM 2312 CG1 VAL B 66 -0.732 9.711 -6.126 1.00 25.54 C ATOM 2313 CG2 VAL B 66 -0.924 9.255 -8.612 1.00 33.33 C ATOM 0 H VAL B 66 -2.490 11.751 -8.261 1.00 25.34 H new ATOM 0 HA VAL B 66 0.187 12.215 -7.078 1.00 62.22 H new ATOM 0 HB VAL B 66 0.837 9.921 -7.590 1.00 33.42 H new ATOM 0 HG11 VAL B 66 -0.583 8.641 -5.980 1.00 25.54 H new ATOM 0 HG12 VAL B 66 -0.172 10.262 -5.370 1.00 25.54 H new ATOM 0 HG13 VAL B 66 -1.793 9.945 -6.035 1.00 25.54 H new ATOM 0 HG21 VAL B 66 -0.761 8.199 -8.397 1.00 33.33 H new ATOM 0 HG22 VAL B 66 -1.994 9.464 -8.615 1.00 33.33 H new ATOM 0 HG23 VAL B 66 -0.505 9.495 -9.589 1.00 33.33 H new ATOM 2323 N LYS B 67 1.359 12.219 -9.379 1.00 22.51 N ATOM 2324 CA LYS B 67 2.020 12.470 -10.688 1.00 35.11 C ATOM 2325 C LYS B 67 3.227 11.522 -10.848 1.00 40.11 C ATOM 2326 O LYS B 67 3.538 10.765 -9.936 1.00 12.35 O ATOM 2327 CB LYS B 67 2.531 13.943 -10.798 1.00 2.52 C ATOM 2328 CG LYS B 67 1.451 15.045 -10.749 1.00 2.40 C ATOM 2329 CD LYS B 67 2.017 16.447 -11.099 1.00 25.44 C ATOM 2330 CE LYS B 67 2.659 16.495 -12.507 1.00 32.35 C ATOM 2331 NZ LYS B 67 3.072 17.863 -12.901 1.00 72.52 N ATOM 0 H LYS B 67 2.016 12.198 -8.599 1.00 22.51 H new ATOM 0 HA LYS B 67 1.283 12.293 -11.471 1.00 35.11 H new ATOM 0 HB2 LYS B 67 3.239 14.121 -9.989 1.00 2.52 H new ATOM 0 HB3 LYS B 67 3.083 14.045 -11.733 1.00 2.52 H new ATOM 0 HG2 LYS B 67 0.650 14.796 -11.445 1.00 2.40 H new ATOM 0 HG3 LYS B 67 1.010 15.073 -9.753 1.00 2.40 H new ATOM 0 HD2 LYS B 67 1.215 17.183 -11.044 1.00 25.44 H new ATOM 0 HD3 LYS B 67 2.761 16.731 -10.355 1.00 25.44 H new ATOM 0 HE2 LYS B 67 3.528 15.837 -12.528 1.00 32.35 H new ATOM 0 HE3 LYS B 67 1.949 16.109 -13.239 1.00 32.35 H new ATOM 0 HZ1 LYS B 67 3.464 17.843 -13.864 1.00 72.52 H new ATOM 0 HZ2 LYS B 67 2.247 18.496 -12.876 1.00 72.52 H new ATOM 0 HZ3 LYS B 67 3.795 18.211 -12.240 1.00 72.52 H new ATOM 2345 N LEU B 68 3.904 11.575 -12.008 1.00 44.42 N ATOM 2346 CA LEU B 68 5.238 10.951 -12.183 1.00 41.12 C ATOM 2347 C LEU B 68 6.354 11.928 -11.734 1.00 72.11 C ATOM 2348 O LEU B 68 6.127 13.143 -11.647 1.00 23.54 O ATOM 2349 CB LEU B 68 5.468 10.539 -13.667 1.00 42.05 C ATOM 2350 CG LEU B 68 4.461 9.506 -14.271 1.00 62.32 C ATOM 2351 CD1 LEU B 68 4.861 9.105 -15.707 1.00 54.22 C ATOM 2352 CD2 LEU B 68 4.317 8.261 -13.374 1.00 12.44 C ATOM 0 H LEU B 68 3.553 12.043 -12.843 1.00 44.42 H new ATOM 0 HA LEU B 68 5.274 10.056 -11.562 1.00 41.12 H new ATOM 0 HB2 LEU B 68 5.440 11.440 -14.279 1.00 42.05 H new ATOM 0 HB3 LEU B 68 6.473 10.126 -13.754 1.00 42.05 H new ATOM 0 HG LEU B 68 3.488 9.995 -14.317 1.00 62.32 H new ATOM 0 HD11 LEU B 68 4.141 8.386 -16.098 1.00 54.22 H new ATOM 0 HD12 LEU B 68 4.871 9.991 -16.343 1.00 54.22 H new ATOM 0 HD13 LEU B 68 5.854 8.655 -15.696 1.00 54.22 H new ATOM 0 HD21 LEU B 68 3.609 7.566 -13.827 1.00 12.44 H new ATOM 0 HD22 LEU B 68 5.287 7.774 -13.269 1.00 12.44 H new ATOM 0 HD23 LEU B 68 3.953 8.561 -12.391 1.00 12.44 H new ATOM 2364 N VAL B 69 7.556 11.390 -11.440 1.00 72.14 N ATOM 2365 CA VAL B 69 8.760 12.225 -11.193 1.00 62.20 C ATOM 2366 C VAL B 69 9.223 12.885 -12.521 1.00 25.15 C ATOM 2367 O VAL B 69 9.547 12.191 -13.495 1.00 23.33 O ATOM 2368 CB VAL B 69 9.941 11.395 -10.551 1.00 54.21 C ATOM 2369 CG1 VAL B 69 11.208 12.270 -10.330 1.00 31.12 C ATOM 2370 CG2 VAL B 69 9.492 10.725 -9.228 1.00 44.31 C ATOM 0 H VAL B 69 7.723 10.386 -11.367 1.00 72.14 H new ATOM 0 HA VAL B 69 8.485 12.998 -10.476 1.00 62.20 H new ATOM 0 HB VAL B 69 10.208 10.609 -11.258 1.00 54.21 H new ATOM 0 HG11 VAL B 69 11.997 11.662 -9.887 1.00 31.12 H new ATOM 0 HG12 VAL B 69 11.549 12.665 -11.287 1.00 31.12 H new ATOM 0 HG13 VAL B 69 10.967 13.096 -9.661 1.00 31.12 H new ATOM 0 HG21 VAL B 69 10.323 10.160 -8.806 1.00 44.31 H new ATOM 0 HG22 VAL B 69 9.178 11.492 -8.520 1.00 44.31 H new ATOM 0 HG23 VAL B 69 8.658 10.051 -9.426 1.00 44.31 H new