USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 921 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 111 LYS NZ :NH3+ 169:sc= 0.0481 (180deg=0) USER MOD Set 1.2: A 112 HIS :FLIP no HE2:sc= -9.33! C(o=-11!,f=-9.3!) USER MOD Set 2.1: A 82 MET CE :methyl 148:sc= -13.3! (180deg=-16.8!) USER MOD Set 2.2: A 84 THR OG1 : rot 47:sc= -1.63! USER MOD Set 3.1: A 76 LYS NZ :NH3+ -147:sc= 0.127 (180deg=-0.161) USER MOD Set 3.2: A 77 TYR OH : rot -170:sc= 0.32 USER MOD Set 4.1: A 53 TYR OH : rot -132:sc= 0.822 USER MOD Set 4.2: A 106 GLN : amide:sc= -7.07! C(o=-6.2!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.0514 (180deg=-0.325) USER MOD Single : A 11 CYS SG : rot -110:sc= -4.99! USER MOD Single : A 12 HIS :FLIP no HE2:sc= -0.0156 F(o=-1,f=-0.016) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.44! C(o=-12!,f=-4.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.5! C(o=-3.5!,f=-7.9!) USER MOD Single : A 21 MET CE :methyl -165:sc= -6.27! (180deg=-7.02!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0.28 (180deg=-2.54!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 53:sc= 0.0602 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -1.47! (180deg=-3.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= -0.361 (180deg=-0.391) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc=-0.00553 X(o=-0.0055,f=-0.00099) USER MOD Single : A 108 THR OG1 : rot 79:sc= -2.63! USER MOD Single : A 116 THR OG1 : rot -33:sc= 0.412 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc=-0.00389 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.162 -1.893 -2.849 1.00 73.20 N ATOM 2 CA MET A 1 1.863 -1.239 -2.966 1.00 64.54 C ATOM 3 C MET A 1 2.028 0.260 -3.195 1.00 23.31 C ATOM 4 O MET A 1 2.788 0.924 -2.491 1.00 10.21 O ATOM 5 CB MET A 1 1.028 -1.487 -1.709 1.00 3.34 C ATOM 6 CG MET A 1 1.601 -0.834 -0.461 1.00 21.21 C ATOM 7 SD MET A 1 0.858 -1.465 1.056 1.00 2.21 S ATOM 8 CE MET A 1 2.309 -2.060 1.922 1.00 51.13 C ATOM 0 H1 MET A 1 3.043 -2.824 -2.400 1.00 73.20 H new ATOM 0 H2 MET A 1 3.576 -2.015 -3.795 1.00 73.20 H new ATOM 0 H3 MET A 1 3.795 -1.307 -2.268 1.00 73.20 H new ATOM 0 HA MET A 1 1.346 -1.665 -3.826 1.00 64.54 H new ATOM 0 HB2 MET A 1 0.018 -1.113 -1.874 1.00 3.34 H new ATOM 0 HB3 MET A 1 0.947 -2.561 -1.543 1.00 3.34 H new ATOM 0 HG2 MET A 1 2.678 -1.000 -0.430 1.00 21.21 H new ATOM 0 HG3 MET A 1 1.447 0.244 -0.516 1.00 21.21 H new ATOM 0 HE1 MET A 1 2.012 -2.481 2.882 1.00 51.13 H new ATOM 0 HE2 MET A 1 2.800 -2.829 1.325 1.00 51.13 H new ATOM 0 HE3 MET A 1 2.999 -1.233 2.086 1.00 51.13 H new ATOM 18 N ALA A 2 1.312 0.785 -4.183 1.00 41.42 N ATOM 19 CA ALA A 2 1.378 2.206 -4.503 1.00 3.13 C ATOM 20 C ALA A 2 2.652 2.537 -5.272 1.00 65.13 C ATOM 21 O ALA A 2 2.611 2.814 -6.471 1.00 32.33 O ATOM 22 CB ALA A 2 1.297 3.037 -3.231 1.00 13.31 C ATOM 0 H ALA A 2 0.679 0.248 -4.776 1.00 41.42 H new ATOM 0 HA ALA A 2 0.527 2.450 -5.139 1.00 3.13 H new ATOM 0 HB1 ALA A 2 1.347 4.096 -3.484 1.00 13.31 H new ATOM 0 HB2 ALA A 2 0.356 2.830 -2.721 1.00 13.31 H new ATOM 0 HB3 ALA A 2 2.129 2.781 -2.575 1.00 13.31 H new ATOM 28 N ALA A 3 3.784 2.507 -4.576 1.00 12.05 N ATOM 29 CA ALA A 3 5.070 2.803 -5.194 1.00 60.53 C ATOM 30 C ALA A 3 5.052 4.168 -5.873 1.00 1.13 C ATOM 31 O ALA A 3 5.473 4.306 -7.021 1.00 23.04 O ATOM 32 CB ALA A 3 5.435 1.718 -6.197 1.00 21.23 C ATOM 0 H ALA A 3 3.836 2.280 -3.583 1.00 12.05 H new ATOM 0 HA ALA A 3 5.826 2.827 -4.409 1.00 60.53 H new ATOM 0 HB1 ALA A 3 6.398 1.952 -6.651 1.00 21.23 H new ATOM 0 HB2 ALA A 3 5.498 0.757 -5.687 1.00 21.23 H new ATOM 0 HB3 ALA A 3 4.671 1.667 -6.972 1.00 21.23 H new ATOM 38 N GLU A 4 4.561 5.174 -5.155 1.00 61.13 N ATOM 39 CA GLU A 4 4.487 6.528 -5.690 1.00 44.34 C ATOM 40 C GLU A 4 3.575 6.582 -6.912 1.00 74.21 C ATOM 41 O GLU A 4 3.929 6.095 -7.985 1.00 51.44 O ATOM 42 CB GLU A 4 5.884 7.031 -6.061 1.00 63.44 C ATOM 43 CG GLU A 4 5.874 8.328 -6.852 1.00 4.20 C ATOM 44 CD GLU A 4 6.795 8.284 -8.056 1.00 53.54 C ATOM 45 OE1 GLU A 4 7.891 7.698 -7.945 1.00 62.40 O ATOM 46 OE2 GLU A 4 6.417 8.837 -9.111 1.00 4.52 O ATOM 0 H GLU A 4 4.209 5.076 -4.203 1.00 61.13 H new ATOM 0 HA GLU A 4 4.069 7.173 -4.917 1.00 44.34 H new ATOM 0 HB2 GLU A 4 6.463 7.176 -5.149 1.00 63.44 H new ATOM 0 HB3 GLU A 4 6.394 6.264 -6.644 1.00 63.44 H new ATOM 0 HG2 GLU A 4 4.858 8.539 -7.184 1.00 4.20 H new ATOM 0 HG3 GLU A 4 6.173 9.149 -6.200 1.00 4.20 H new ATOM 53 N GLU A 5 2.398 7.176 -6.739 1.00 30.20 N ATOM 54 CA GLU A 5 1.434 7.291 -7.827 1.00 11.41 C ATOM 55 C GLU A 5 1.302 8.741 -8.285 1.00 62.14 C ATOM 56 O GLU A 5 2.263 9.508 -8.239 1.00 61.23 O ATOM 57 CB GLU A 5 0.069 6.758 -7.387 1.00 51.01 C ATOM 58 CG GLU A 5 0.155 5.578 -6.433 1.00 52.52 C ATOM 59 CD GLU A 5 0.334 4.257 -7.154 1.00 63.24 C ATOM 60 OE1 GLU A 5 1.265 4.154 -7.981 1.00 51.41 O ATOM 61 OE2 GLU A 5 -0.455 3.325 -6.893 1.00 12.52 O ATOM 0 H GLU A 5 2.090 7.584 -5.857 1.00 30.20 H new ATOM 0 HA GLU A 5 1.796 6.694 -8.664 1.00 11.41 H new ATOM 0 HB2 GLU A 5 -0.488 7.563 -6.907 1.00 51.01 H new ATOM 0 HB3 GLU A 5 -0.497 6.460 -8.270 1.00 51.01 H new ATOM 0 HG2 GLU A 5 0.989 5.730 -5.748 1.00 52.52 H new ATOM 0 HG3 GLU A 5 -0.751 5.538 -5.828 1.00 52.52 H new ATOM 68 N GLY A 6 0.104 9.109 -8.729 1.00 32.31 N ATOM 69 CA GLY A 6 -0.132 10.464 -9.190 1.00 55.23 C ATOM 70 C GLY A 6 -0.406 11.425 -8.050 1.00 51.25 C ATOM 71 O GLY A 6 -1.096 12.430 -8.227 1.00 63.45 O ATOM 0 H GLY A 6 -0.707 8.493 -8.778 1.00 32.31 H new ATOM 0 HA2 GLY A 6 0.736 10.810 -9.752 1.00 55.23 H new ATOM 0 HA3 GLY A 6 -0.979 10.469 -9.876 1.00 55.23 H new ATOM 75 N VAL A 7 0.134 11.117 -6.876 1.00 22.23 N ATOM 76 CA VAL A 7 -0.056 11.960 -5.702 1.00 2.42 C ATOM 77 C VAL A 7 1.211 12.744 -5.377 1.00 61.13 C ATOM 78 O VAL A 7 2.269 12.504 -5.960 1.00 53.31 O ATOM 79 CB VAL A 7 -0.460 11.127 -4.471 1.00 72.03 C ATOM 80 CG1 VAL A 7 -1.302 9.931 -4.889 1.00 52.24 C ATOM 81 CG2 VAL A 7 0.774 10.678 -3.703 1.00 51.14 C ATOM 0 H VAL A 7 0.707 10.289 -6.712 1.00 22.23 H new ATOM 0 HA VAL A 7 -0.860 12.656 -5.940 1.00 2.42 H new ATOM 0 HB VAL A 7 -1.062 11.753 -3.812 1.00 72.03 H new ATOM 0 HG11 VAL A 7 -1.578 9.354 -4.006 1.00 52.24 H new ATOM 0 HG12 VAL A 7 -2.204 10.279 -5.392 1.00 52.24 H new ATOM 0 HG13 VAL A 7 -0.728 9.302 -5.569 1.00 52.24 H new ATOM 0 HG21 VAL A 7 0.470 10.091 -2.837 1.00 51.14 H new ATOM 0 HG22 VAL A 7 1.404 10.069 -4.351 1.00 51.14 H new ATOM 0 HG23 VAL A 7 1.334 11.552 -3.370 1.00 51.14 H new ATOM 91 N VAL A 8 1.097 13.682 -4.442 1.00 61.22 N ATOM 92 CA VAL A 8 2.234 14.500 -4.038 1.00 51.50 C ATOM 93 C VAL A 8 3.465 13.640 -3.776 1.00 11.35 C ATOM 94 O VAL A 8 3.652 13.127 -2.672 1.00 0.31 O ATOM 95 CB VAL A 8 1.914 15.319 -2.773 1.00 42.53 C ATOM 96 CG1 VAL A 8 0.756 16.271 -3.032 1.00 1.12 C ATOM 97 CG2 VAL A 8 1.605 14.396 -1.605 1.00 24.32 C ATOM 0 H VAL A 8 0.229 13.894 -3.950 1.00 61.22 H new ATOM 0 HA VAL A 8 2.441 15.183 -4.862 1.00 51.50 H new ATOM 0 HB VAL A 8 2.791 15.913 -2.515 1.00 42.53 H new ATOM 0 HG11 VAL A 8 0.544 16.841 -2.127 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.021 16.955 -3.838 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -0.128 15.700 -3.316 1.00 1.12 H new ATOM 0 HG21 VAL A 8 1.381 14.992 -0.720 1.00 24.32 H new ATOM 0 HG22 VAL A 8 0.744 13.774 -1.851 1.00 24.32 H new ATOM 0 HG23 VAL A 8 2.467 13.760 -1.406 1.00 24.32 H new ATOM 107 N ILE A 9 4.301 13.487 -4.796 1.00 45.33 N ATOM 108 CA ILE A 9 5.516 12.690 -4.675 1.00 51.42 C ATOM 109 C ILE A 9 6.228 12.970 -3.356 1.00 13.10 C ATOM 110 O ILE A 9 5.904 13.928 -2.655 1.00 54.31 O ATOM 111 CB ILE A 9 6.488 12.965 -5.838 1.00 73.21 C ATOM 112 CG1 ILE A 9 5.741 12.935 -7.173 1.00 51.43 C ATOM 113 CG2 ILE A 9 7.618 11.947 -5.835 1.00 24.01 C ATOM 114 CD1 ILE A 9 4.854 11.722 -7.343 1.00 62.30 C ATOM 0 H ILE A 9 4.160 13.904 -5.716 1.00 45.33 H new ATOM 0 HA ILE A 9 5.211 11.644 -4.706 1.00 51.42 H new ATOM 0 HB ILE A 9 6.919 13.958 -5.706 1.00 73.21 H new ATOM 0 HG12 ILE A 9 5.132 13.835 -7.259 1.00 51.43 H new ATOM 0 HG13 ILE A 9 6.466 12.961 -7.986 1.00 51.43 H new ATOM 0 HG21 ILE A 9 8.297 12.154 -6.662 1.00 24.01 H new ATOM 0 HG22 ILE A 9 8.163 12.012 -4.893 1.00 24.01 H new ATOM 0 HG23 ILE A 9 7.205 10.945 -5.947 1.00 24.01 H new ATOM 0 HD11 ILE A 9 4.356 11.768 -8.312 1.00 62.30 H new ATOM 0 HD12 ILE A 9 5.460 10.818 -7.289 1.00 62.30 H new ATOM 0 HD13 ILE A 9 4.105 11.705 -6.551 1.00 62.30 H new ATOM 126 N ALA A 10 7.201 12.128 -3.025 1.00 32.32 N ATOM 127 CA ALA A 10 7.962 12.286 -1.792 1.00 13.33 C ATOM 128 C ALA A 10 9.452 12.078 -2.036 1.00 5.41 C ATOM 129 O ALA A 10 9.992 11.005 -1.765 1.00 73.32 O ATOM 130 CB ALA A 10 7.458 11.317 -0.732 1.00 62.15 C ATOM 0 H ALA A 10 7.481 11.329 -3.594 1.00 32.32 H new ATOM 0 HA ALA A 10 7.818 13.305 -1.434 1.00 13.33 H new ATOM 0 HB1 ALA A 10 8.036 11.446 0.183 1.00 62.15 H new ATOM 0 HB2 ALA A 10 6.406 11.516 -0.528 1.00 62.15 H new ATOM 0 HB3 ALA A 10 7.571 10.294 -1.091 1.00 62.15 H new ATOM 136 N CYS A 11 10.113 13.111 -2.549 1.00 34.40 N ATOM 137 CA CYS A 11 11.542 13.040 -2.831 1.00 51.22 C ATOM 138 C CYS A 11 12.342 12.865 -1.545 1.00 2.03 C ATOM 139 O CYS A 11 11.859 13.171 -0.454 1.00 70.30 O ATOM 140 CB CYS A 11 12.001 14.302 -3.564 1.00 71.40 C ATOM 141 SG CYS A 11 13.740 14.718 -3.299 1.00 24.23 S ATOM 0 H CYS A 11 9.682 14.007 -2.778 1.00 34.40 H new ATOM 0 HA CYS A 11 11.719 12.173 -3.468 1.00 51.22 H new ATOM 0 HB2 CYS A 11 11.828 14.172 -4.632 1.00 71.40 H new ATOM 0 HB3 CYS A 11 11.385 15.141 -3.241 1.00 71.40 H new ATOM 0 HG CYS A 11 13.823 15.792 -2.571 1.00 24.23 H new ATOM 147 N HIS A 12 13.568 12.369 -1.679 1.00 43.54 N ATOM 148 CA HIS A 12 14.436 12.152 -0.527 1.00 51.31 C ATOM 149 C HIS A 12 15.879 11.925 -0.969 1.00 35.15 C ATOM 150 O HIS A 12 16.593 11.107 -0.391 1.00 34.51 O ATOM 151 CB HIS A 12 13.945 10.956 0.289 1.00 63.11 C ATOM 152 CG HIS A 12 14.006 11.175 1.769 1.00 3.22 C ATOM 153 ND1 HIS A 12 14.972 10.876 2.669 1.00 41.21 N flip ATOM 154 CD2 HIS A 12 12.987 11.767 2.485 1.00 11.35 C flip ATOM 155 CE1 HIS A 12 14.524 11.290 3.900 1.00 32.51 C flip ATOM 156 NE2 HIS A 12 13.324 11.825 3.761 1.00 73.02 N flip ATOM 0 H HIS A 12 13.983 12.110 -2.574 1.00 43.54 H new ATOM 0 HA HIS A 12 14.403 13.046 0.096 1.00 51.31 H new ATOM 0 HB2 HIS A 12 12.917 10.731 0.005 1.00 63.11 H new ATOM 0 HB3 HIS A 12 14.545 10.082 0.034 1.00 63.11 H new ATOM 0 HD1 HIS A 12 15.866 10.427 2.470 1.00 41.21 H new ATOM 0 HD2 HIS A 12 12.058 12.127 2.068 1.00 11.35 H new ATOM 0 HE1 HIS A 12 15.065 11.194 4.830 1.00 32.51 H new ATOM 164 N ASN A 13 16.300 12.654 -1.997 1.00 13.54 N ATOM 165 CA ASN A 13 17.657 12.531 -2.516 1.00 52.12 C ATOM 166 C ASN A 13 17.854 13.422 -3.739 1.00 3.22 C ATOM 167 O ASN A 13 18.704 13.151 -4.588 1.00 14.20 O ATOM 168 CB ASN A 13 17.956 11.075 -2.879 1.00 11.02 C ATOM 169 CG ASN A 13 17.847 10.816 -4.369 1.00 44.31 C ATOM 170 OD1 ASN A 13 16.853 11.426 -5.004 1.00 40.10 O flip ATOM 171 ND2 ASN A 13 18.648 10.077 -4.942 1.00 44.15 N flip ATOM 0 H ASN A 13 15.721 13.336 -2.487 1.00 13.54 H new ATOM 0 HA ASN A 13 18.348 12.854 -1.738 1.00 52.12 H new ATOM 0 HB2 ASN A 13 18.960 10.818 -2.541 1.00 11.02 H new ATOM 0 HB3 ASN A 13 17.264 10.422 -2.348 1.00 11.02 H new ATOM 0 HD21 ASN A 13 19.397 9.629 -4.414 1.00 44.15 H new ATOM 0 HD22 ASN A 13 18.563 9.913 -5.945 1.00 44.15 H new ATOM 178 N LYS A 14 17.064 14.487 -3.821 1.00 43.34 N ATOM 179 CA LYS A 14 17.152 15.421 -4.938 1.00 61.21 C ATOM 180 C LYS A 14 16.763 14.741 -6.247 1.00 55.41 C ATOM 181 O LYS A 14 15.710 15.028 -6.817 1.00 13.40 O ATOM 182 CB LYS A 14 18.570 15.986 -5.047 1.00 1.01 C ATOM 183 CG LYS A 14 18.933 16.454 -6.446 1.00 33.23 C ATOM 184 CD LYS A 14 19.863 17.655 -6.408 1.00 55.04 C ATOM 185 CE LYS A 14 19.173 18.875 -5.817 1.00 43.21 C ATOM 186 NZ LYS A 14 19.579 20.130 -6.508 1.00 53.50 N ATOM 0 H LYS A 14 16.355 14.725 -3.127 1.00 43.34 H new ATOM 0 HA LYS A 14 16.455 16.238 -4.752 1.00 61.21 H new ATOM 0 HB2 LYS A 14 18.673 16.822 -4.355 1.00 1.01 H new ATOM 0 HB3 LYS A 14 19.281 15.222 -4.732 1.00 1.01 H new ATOM 0 HG2 LYS A 14 19.411 15.640 -6.991 1.00 33.23 H new ATOM 0 HG3 LYS A 14 18.025 16.713 -6.991 1.00 33.23 H new ATOM 0 HD2 LYS A 14 20.747 17.414 -5.817 1.00 55.04 H new ATOM 0 HD3 LYS A 14 20.206 17.883 -7.417 1.00 55.04 H new ATOM 0 HE2 LYS A 14 18.092 18.753 -5.891 1.00 43.21 H new ATOM 0 HE3 LYS A 14 19.413 18.950 -4.756 1.00 43.21 H new ATOM 0 HZ1 LYS A 14 19.087 20.939 -6.076 1.00 53.50 H new ATOM 0 HZ2 LYS A 14 20.607 20.260 -6.416 1.00 53.50 H new ATOM 0 HZ3 LYS A 14 19.327 20.069 -7.515 1.00 53.50 H new ATOM 200 N ASP A 15 17.617 13.839 -6.717 1.00 51.31 N ATOM 201 CA ASP A 15 17.361 13.117 -7.958 1.00 15.02 C ATOM 202 C ASP A 15 15.863 12.915 -8.170 1.00 3.24 C ATOM 203 O ASP A 15 15.372 12.985 -9.295 1.00 72.25 O ATOM 204 CB ASP A 15 18.073 11.764 -7.942 1.00 31.34 C ATOM 205 CG ASP A 15 18.901 11.530 -9.190 1.00 54.11 C ATOM 206 OD1 ASP A 15 18.307 11.421 -10.284 1.00 4.51 O ATOM 207 OD2 ASP A 15 20.142 11.457 -9.074 1.00 34.15 O ATOM 0 H ASP A 15 18.493 13.590 -6.257 1.00 51.31 H new ATOM 0 HA ASP A 15 17.750 13.714 -8.783 1.00 15.02 H new ATOM 0 HB2 ASP A 15 18.718 11.707 -7.065 1.00 31.34 H new ATOM 0 HB3 ASP A 15 17.334 10.969 -7.846 1.00 31.34 H new ATOM 212 N GLU A 16 15.145 12.664 -7.080 1.00 0.15 N ATOM 213 CA GLU A 16 13.704 12.450 -7.147 1.00 42.25 C ATOM 214 C GLU A 16 12.958 13.781 -7.190 1.00 61.34 C ATOM 215 O GLU A 16 12.018 13.953 -7.966 1.00 53.11 O ATOM 216 CB GLU A 16 13.231 11.626 -5.948 1.00 4.20 C ATOM 217 CG GLU A 16 14.258 10.617 -5.460 1.00 54.41 C ATOM 218 CD GLU A 16 13.660 9.243 -5.227 1.00 51.43 C ATOM 219 OE1 GLU A 16 13.067 9.030 -4.149 1.00 25.23 O ATOM 220 OE2 GLU A 16 13.784 8.382 -6.123 1.00 5.14 O ATOM 0 H GLU A 16 15.537 12.604 -6.140 1.00 0.15 H new ATOM 0 HA GLU A 16 13.487 11.901 -8.063 1.00 42.25 H new ATOM 0 HB2 GLU A 16 12.980 12.301 -5.130 1.00 4.20 H new ATOM 0 HB3 GLU A 16 12.316 11.099 -6.218 1.00 4.20 H new ATOM 0 HG2 GLU A 16 15.062 10.540 -6.192 1.00 54.41 H new ATOM 0 HG3 GLU A 16 14.704 10.977 -4.533 1.00 54.41 H new ATOM 227 N PHE A 17 13.384 14.718 -6.351 1.00 2.53 N ATOM 228 CA PHE A 17 12.756 16.033 -6.291 1.00 3.33 C ATOM 229 C PHE A 17 12.688 16.667 -7.677 1.00 74.11 C ATOM 230 O PHE A 17 11.691 17.294 -8.036 1.00 11.30 O ATOM 231 CB PHE A 17 13.529 16.948 -5.337 1.00 74.44 C ATOM 232 CG PHE A 17 13.868 18.284 -5.932 1.00 43.25 C ATOM 233 CD1 PHE A 17 14.850 18.395 -6.905 1.00 15.35 C ATOM 234 CD2 PHE A 17 13.206 19.429 -5.520 1.00 42.43 C ATOM 235 CE1 PHE A 17 15.165 19.624 -7.453 1.00 55.20 C ATOM 236 CE2 PHE A 17 13.517 20.661 -6.066 1.00 13.04 C ATOM 237 CZ PHE A 17 14.496 20.758 -7.034 1.00 45.20 C ATOM 0 H PHE A 17 14.161 14.592 -5.703 1.00 2.53 H new ATOM 0 HA PHE A 17 11.740 15.906 -5.918 1.00 3.33 H new ATOM 0 HB2 PHE A 17 12.938 17.101 -4.434 1.00 74.44 H new ATOM 0 HB3 PHE A 17 14.450 16.450 -5.035 1.00 74.44 H new ATOM 0 HD1 PHE A 17 15.374 17.511 -7.238 1.00 15.35 H new ATOM 0 HD2 PHE A 17 12.438 19.359 -4.764 1.00 42.43 H new ATOM 0 HE1 PHE A 17 15.934 19.698 -8.208 1.00 55.20 H new ATOM 0 HE2 PHE A 17 12.994 21.546 -5.735 1.00 13.04 H new ATOM 0 HZ PHE A 17 14.739 21.719 -7.463 1.00 45.20 H new ATOM 247 N ASP A 18 13.754 16.499 -8.451 1.00 71.43 N ATOM 248 CA ASP A 18 13.816 17.053 -9.799 1.00 13.03 C ATOM 249 C ASP A 18 12.795 16.380 -10.711 1.00 14.14 C ATOM 250 O ASP A 18 12.085 17.047 -11.463 1.00 41.00 O ATOM 251 CB ASP A 18 15.222 16.888 -10.377 1.00 71.42 C ATOM 252 CG ASP A 18 15.952 18.209 -10.511 1.00 50.52 C ATOM 253 OD1 ASP A 18 15.277 19.243 -10.703 1.00 25.50 O ATOM 254 OD2 ASP A 18 17.198 18.211 -10.425 1.00 61.22 O ATOM 0 H ASP A 18 14.588 15.983 -8.168 1.00 71.43 H new ATOM 0 HA ASP A 18 13.578 18.115 -9.740 1.00 13.03 H new ATOM 0 HB2 ASP A 18 15.799 16.221 -9.736 1.00 71.42 H new ATOM 0 HB3 ASP A 18 15.156 16.412 -11.355 1.00 71.42 H new ATOM 259 N ALA A 19 12.727 15.055 -10.638 1.00 61.33 N ATOM 260 CA ALA A 19 11.793 14.292 -11.456 1.00 73.34 C ATOM 261 C ALA A 19 10.471 15.035 -11.617 1.00 74.52 C ATOM 262 O ALA A 19 9.770 14.862 -12.614 1.00 13.51 O ATOM 263 CB ALA A 19 11.558 12.918 -10.847 1.00 35.35 C ATOM 0 H ALA A 19 13.308 14.488 -10.021 1.00 61.33 H new ATOM 0 HA ALA A 19 12.233 14.168 -12.446 1.00 73.34 H new ATOM 0 HB1 ALA A 19 10.858 12.359 -11.469 1.00 35.35 H new ATOM 0 HB2 ALA A 19 12.504 12.379 -10.790 1.00 35.35 H new ATOM 0 HB3 ALA A 19 11.144 13.030 -9.845 1.00 35.35 H new ATOM 269 N GLN A 20 10.137 15.859 -10.630 1.00 13.30 N ATOM 270 CA GLN A 20 8.897 16.627 -10.663 1.00 24.13 C ATOM 271 C GLN A 20 9.166 18.079 -11.043 1.00 4.25 C ATOM 272 O GLN A 20 8.454 18.659 -11.861 1.00 73.24 O ATOM 273 CB GLN A 20 8.198 16.564 -9.304 1.00 33.11 C ATOM 274 CG GLN A 20 7.435 15.270 -9.072 1.00 22.54 C ATOM 275 CD GLN A 20 8.346 14.060 -9.000 1.00 4.24 C ATOM 276 OE1 GLN A 20 9.238 13.990 -8.154 1.00 4.04 O ATOM 277 NE2 GLN A 20 8.127 13.099 -9.889 1.00 54.12 N ATOM 0 H GLN A 20 10.707 16.012 -9.798 1.00 13.30 H new ATOM 0 HA GLN A 20 8.247 16.188 -11.419 1.00 24.13 H new ATOM 0 HB2 GLN A 20 8.942 16.684 -8.516 1.00 33.11 H new ATOM 0 HB3 GLN A 20 7.507 17.403 -9.221 1.00 33.11 H new ATOM 0 HG2 GLN A 20 6.868 15.349 -8.145 1.00 22.54 H new ATOM 0 HG3 GLN A 20 6.713 15.129 -9.876 1.00 22.54 H new ATOM 0 HE21 GLN A 20 7.377 13.198 -10.573 1.00 54.12 H new ATOM 0 HE22 GLN A 20 8.709 12.261 -9.888 1.00 54.12 H new ATOM 286 N MET A 21 10.199 18.661 -10.442 1.00 1.34 N ATOM 287 CA MET A 21 10.562 20.046 -10.718 1.00 43.31 C ATOM 288 C MET A 21 10.706 20.281 -12.218 1.00 41.54 C ATOM 289 O MET A 21 10.376 21.355 -12.724 1.00 72.20 O ATOM 290 CB MET A 21 11.868 20.405 -10.006 1.00 50.53 C ATOM 291 CG MET A 21 11.831 21.759 -9.316 1.00 44.42 C ATOM 292 SD MET A 21 11.221 21.659 -7.622 1.00 44.44 S ATOM 293 CE MET A 21 9.925 20.436 -7.801 1.00 1.40 C ATOM 0 H MET A 21 10.799 18.195 -9.761 1.00 1.34 H new ATOM 0 HA MET A 21 9.764 20.687 -10.342 1.00 43.31 H new ATOM 0 HB2 MET A 21 12.093 19.636 -9.267 1.00 50.53 H new ATOM 0 HB3 MET A 21 12.682 20.398 -10.731 1.00 50.53 H new ATOM 0 HG2 MET A 21 12.833 22.188 -9.312 1.00 44.42 H new ATOM 0 HG3 MET A 21 11.196 22.436 -9.887 1.00 44.42 H new ATOM 0 HE1 MET A 21 9.283 20.455 -6.921 1.00 1.40 H new ATOM 0 HE2 MET A 21 9.332 20.661 -8.688 1.00 1.40 H new ATOM 0 HE3 MET A 21 10.370 19.446 -7.904 1.00 1.40 H new ATOM 303 N THR A 22 11.202 19.271 -12.927 1.00 13.34 N ATOM 304 CA THR A 22 11.391 19.369 -14.368 1.00 74.14 C ATOM 305 C THR A 22 10.138 18.929 -15.118 1.00 64.40 C ATOM 306 O THR A 22 9.954 19.260 -16.289 1.00 43.23 O ATOM 307 CB THR A 22 12.583 18.514 -14.838 1.00 2.42 C ATOM 308 OG1 THR A 22 13.687 19.360 -15.179 1.00 25.12 O ATOM 309 CG2 THR A 22 12.200 17.663 -16.039 1.00 53.50 C ATOM 0 H THR A 22 11.480 18.376 -12.525 1.00 13.34 H new ATOM 0 HA THR A 22 11.595 20.417 -14.589 1.00 74.14 H new ATOM 0 HB THR A 22 12.871 17.852 -14.022 1.00 2.42 H new ATOM 0 HG1 THR A 22 14.442 18.809 -15.475 1.00 25.12 H new ATOM 0 HG21 THR A 22 13.058 17.068 -16.352 1.00 53.50 H new ATOM 0 HG22 THR A 22 11.379 17.000 -15.768 1.00 53.50 H new ATOM 0 HG23 THR A 22 11.888 18.310 -16.859 1.00 53.50 H new ATOM 317 N LYS A 23 9.279 18.180 -14.436 1.00 34.14 N ATOM 318 CA LYS A 23 8.041 17.695 -15.036 1.00 4.12 C ATOM 319 C LYS A 23 6.957 18.767 -14.988 1.00 32.44 C ATOM 320 O LYS A 23 5.766 18.460 -15.027 1.00 32.41 O ATOM 321 CB LYS A 23 7.560 16.434 -14.314 1.00 41.40 C ATOM 322 CG LYS A 23 7.640 15.179 -15.165 1.00 31.43 C ATOM 323 CD LYS A 23 7.693 13.926 -14.306 1.00 70.02 C ATOM 324 CE LYS A 23 8.884 13.052 -14.669 1.00 32.23 C ATOM 325 NZ LYS A 23 8.467 11.668 -15.027 1.00 22.34 N ATOM 0 H LYS A 23 9.417 17.895 -13.466 1.00 34.14 H new ATOM 0 HA LYS A 23 8.242 17.454 -16.080 1.00 4.12 H new ATOM 0 HB2 LYS A 23 8.157 16.291 -13.413 1.00 41.40 H new ATOM 0 HB3 LYS A 23 6.529 16.580 -13.993 1.00 41.40 H new ATOM 0 HG2 LYS A 23 6.775 15.131 -15.827 1.00 31.43 H new ATOM 0 HG3 LYS A 23 8.525 15.224 -15.800 1.00 31.43 H new ATOM 0 HD2 LYS A 23 7.753 14.207 -13.254 1.00 70.02 H new ATOM 0 HD3 LYS A 23 6.771 13.358 -14.432 1.00 70.02 H new ATOM 0 HE2 LYS A 23 9.420 13.498 -15.507 1.00 32.23 H new ATOM 0 HE3 LYS A 23 9.578 13.017 -13.829 1.00 32.23 H new ATOM 0 HZ1 LYS A 23 9.307 11.104 -15.268 1.00 22.34 H new ATOM 0 HZ2 LYS A 23 7.978 11.233 -14.219 1.00 22.34 H new ATOM 0 HZ3 LYS A 23 7.825 11.699 -15.844 1.00 22.34 H new ATOM 339 N ALA A 24 7.377 20.024 -14.904 1.00 4.54 N ATOM 340 CA ALA A 24 6.442 21.141 -14.854 1.00 12.12 C ATOM 341 C ALA A 24 6.714 22.136 -15.977 1.00 22.01 C ATOM 342 O ALA A 24 5.791 22.606 -16.642 1.00 73.20 O ATOM 343 CB ALA A 24 6.519 21.834 -13.502 1.00 1.43 C ATOM 0 H ALA A 24 8.360 20.295 -14.869 1.00 4.54 H new ATOM 0 HA ALA A 24 5.435 20.746 -14.990 1.00 12.12 H new ATOM 0 HB1 ALA A 24 5.815 22.666 -13.479 1.00 1.43 H new ATOM 0 HB2 ALA A 24 6.267 21.124 -12.714 1.00 1.43 H new ATOM 0 HB3 ALA A 24 7.530 22.209 -13.343 1.00 1.43 H new ATOM 349 N LYS A 25 7.988 22.454 -16.183 1.00 54.31 N ATOM 350 CA LYS A 25 8.383 23.393 -17.226 1.00 52.32 C ATOM 351 C LYS A 25 8.119 22.811 -18.611 1.00 73.01 C ATOM 352 O LYS A 25 7.577 23.487 -19.485 1.00 44.11 O ATOM 353 CB LYS A 25 9.864 23.750 -17.085 1.00 63.04 C ATOM 354 CG LYS A 25 10.775 22.538 -16.989 1.00 42.34 C ATOM 355 CD LYS A 25 11.896 22.761 -15.988 1.00 44.43 C ATOM 356 CE LYS A 25 11.354 23.155 -14.623 1.00 2.21 C ATOM 357 NZ LYS A 25 12.276 22.756 -13.524 1.00 21.32 N ATOM 0 H LYS A 25 8.765 22.075 -15.641 1.00 54.31 H new ATOM 0 HA LYS A 25 7.785 24.297 -17.111 1.00 52.32 H new ATOM 0 HB2 LYS A 25 10.166 24.355 -17.940 1.00 63.04 H new ATOM 0 HB3 LYS A 25 9.998 24.366 -16.196 1.00 63.04 H new ATOM 0 HG2 LYS A 25 10.192 21.666 -16.695 1.00 42.34 H new ATOM 0 HG3 LYS A 25 11.199 22.322 -17.970 1.00 42.34 H new ATOM 0 HD2 LYS A 25 12.490 21.851 -15.896 1.00 44.43 H new ATOM 0 HD3 LYS A 25 12.563 23.541 -16.355 1.00 44.43 H new ATOM 0 HE2 LYS A 25 11.197 24.233 -14.592 1.00 2.21 H new ATOM 0 HE3 LYS A 25 10.382 22.687 -14.469 1.00 2.21 H new ATOM 0 HZ1 LYS A 25 11.722 22.413 -12.713 1.00 21.32 H new ATOM 0 HZ2 LYS A 25 12.907 21.999 -13.857 1.00 21.32 H new ATOM 0 HZ3 LYS A 25 12.844 23.577 -13.233 1.00 21.32 H new ATOM 371 N GLU A 26 8.503 21.553 -18.802 1.00 64.14 N ATOM 372 CA GLU A 26 8.307 20.881 -20.081 1.00 73.24 C ATOM 373 C GLU A 26 6.837 20.524 -20.288 1.00 45.24 C ATOM 374 O GLU A 26 6.296 20.689 -21.381 1.00 13.31 O ATOM 375 CB GLU A 26 9.165 19.616 -20.156 1.00 1.44 C ATOM 376 CG GLU A 26 9.201 18.828 -18.857 1.00 74.34 C ATOM 377 CD GLU A 26 8.900 17.355 -19.061 1.00 11.42 C ATOM 378 OE1 GLU A 26 8.064 17.036 -19.932 1.00 41.23 O ATOM 379 OE2 GLU A 26 9.499 16.523 -18.349 1.00 65.11 O ATOM 0 H GLU A 26 8.951 20.979 -18.088 1.00 64.14 H new ATOM 0 HA GLU A 26 8.613 21.566 -20.872 1.00 73.24 H new ATOM 0 HB2 GLU A 26 8.783 18.974 -20.950 1.00 1.44 H new ATOM 0 HB3 GLU A 26 10.183 19.893 -20.432 1.00 1.44 H new ATOM 0 HG2 GLU A 26 10.184 18.934 -18.399 1.00 74.34 H new ATOM 0 HG3 GLU A 26 8.477 19.250 -18.160 1.00 74.34 H new ATOM 386 N ALA A 27 6.199 20.034 -19.231 1.00 21.30 N ATOM 387 CA ALA A 27 4.793 19.655 -19.295 1.00 61.24 C ATOM 388 C ALA A 27 3.898 20.884 -19.405 1.00 13.43 C ATOM 389 O ALA A 27 2.790 20.812 -19.934 1.00 53.44 O ATOM 390 CB ALA A 27 4.413 18.829 -18.075 1.00 55.24 C ATOM 0 H ALA A 27 6.633 19.890 -18.319 1.00 21.30 H new ATOM 0 HA ALA A 27 4.645 19.050 -20.189 1.00 61.24 H new ATOM 0 HB1 ALA A 27 3.360 18.553 -18.136 1.00 55.24 H new ATOM 0 HB2 ALA A 27 5.023 17.927 -18.042 1.00 55.24 H new ATOM 0 HB3 ALA A 27 4.583 19.415 -17.172 1.00 55.24 H new ATOM 396 N GLY A 28 4.386 22.013 -18.899 1.00 53.21 N ATOM 397 CA GLY A 28 3.616 23.242 -18.949 1.00 51.44 C ATOM 398 C GLY A 28 2.643 23.365 -17.794 1.00 33.43 C ATOM 399 O GLY A 28 1.536 23.879 -17.956 1.00 32.14 O ATOM 0 H GLY A 28 5.301 22.098 -18.456 1.00 53.21 H new ATOM 0 HA2 GLY A 28 4.296 24.094 -18.939 1.00 51.44 H new ATOM 0 HA3 GLY A 28 3.066 23.284 -19.889 1.00 51.44 H new ATOM 403 N LYS A 29 3.054 22.889 -16.623 1.00 41.51 N ATOM 404 CA LYS A 29 2.211 22.947 -15.435 1.00 24.04 C ATOM 405 C LYS A 29 2.972 23.548 -14.257 1.00 11.20 C ATOM 406 O LYS A 29 4.202 23.531 -14.226 1.00 24.44 O ATOM 407 CB LYS A 29 1.711 21.547 -15.071 1.00 52.20 C ATOM 408 CG LYS A 29 2.719 20.725 -14.287 1.00 42.14 C ATOM 409 CD LYS A 29 2.887 19.336 -14.880 1.00 32.14 C ATOM 410 CE LYS A 29 1.564 18.783 -15.387 1.00 51.14 C ATOM 411 NZ LYS A 29 1.456 17.314 -15.169 1.00 63.02 N ATOM 0 H LYS A 29 3.966 22.459 -16.472 1.00 41.51 H new ATOM 0 HA LYS A 29 1.356 23.586 -15.657 1.00 24.04 H new ATOM 0 HB2 LYS A 29 0.796 21.638 -14.486 1.00 52.20 H new ATOM 0 HB3 LYS A 29 1.453 21.013 -15.986 1.00 52.20 H new ATOM 0 HG2 LYS A 29 3.681 21.237 -14.280 1.00 42.14 H new ATOM 0 HG3 LYS A 29 2.394 20.642 -13.250 1.00 42.14 H new ATOM 0 HD2 LYS A 29 3.605 19.373 -15.699 1.00 32.14 H new ATOM 0 HD3 LYS A 29 3.298 18.665 -14.126 1.00 32.14 H new ATOM 0 HE2 LYS A 29 0.742 19.287 -14.879 1.00 51.14 H new ATOM 0 HE3 LYS A 29 1.463 19.001 -16.450 1.00 51.14 H new ATOM 0 HZ1 LYS A 29 0.540 16.976 -15.528 1.00 63.02 H new ATOM 0 HZ2 LYS A 29 2.226 16.831 -15.674 1.00 63.02 H new ATOM 0 HZ3 LYS A 29 1.526 17.108 -14.152 1.00 63.02 H new ATOM 425 N VAL A 30 2.231 24.079 -13.289 1.00 24.42 N ATOM 426 CA VAL A 30 2.836 24.683 -12.108 1.00 20.23 C ATOM 427 C VAL A 30 3.494 23.627 -11.226 1.00 44.35 C ATOM 428 O VAL A 30 3.222 22.434 -11.360 1.00 2.05 O ATOM 429 CB VAL A 30 1.794 25.453 -11.275 1.00 52.24 C ATOM 430 CG1 VAL A 30 1.915 25.094 -9.802 1.00 45.33 C ATOM 431 CG2 VAL A 30 1.950 26.952 -11.482 1.00 41.20 C ATOM 0 H VAL A 30 1.211 24.103 -13.300 1.00 24.42 H new ATOM 0 HA VAL A 30 3.595 25.380 -12.463 1.00 20.23 H new ATOM 0 HB VAL A 30 0.799 25.164 -11.613 1.00 52.24 H new ATOM 0 HG11 VAL A 30 1.171 25.648 -9.230 1.00 45.33 H new ATOM 0 HG12 VAL A 30 1.749 24.024 -9.673 1.00 45.33 H new ATOM 0 HG13 VAL A 30 2.912 25.352 -9.445 1.00 45.33 H new ATOM 0 HG21 VAL A 30 1.206 27.481 -10.886 1.00 41.20 H new ATOM 0 HG22 VAL A 30 2.949 27.260 -11.172 1.00 41.20 H new ATOM 0 HG23 VAL A 30 1.807 27.191 -12.536 1.00 41.20 H new ATOM 441 N VAL A 31 4.363 24.075 -10.325 1.00 34.32 N ATOM 442 CA VAL A 31 5.060 23.169 -9.419 1.00 74.04 C ATOM 443 C VAL A 31 4.690 23.451 -7.967 1.00 41.35 C ATOM 444 O VAL A 31 4.422 24.594 -7.596 1.00 13.22 O ATOM 445 CB VAL A 31 6.587 23.281 -9.580 1.00 24.22 C ATOM 446 CG1 VAL A 31 7.297 22.653 -8.390 1.00 12.45 C ATOM 447 CG2 VAL A 31 7.035 22.631 -10.881 1.00 11.44 C ATOM 0 H VAL A 31 4.601 25.059 -10.203 1.00 34.32 H new ATOM 0 HA VAL A 31 4.748 22.158 -9.680 1.00 74.04 H new ATOM 0 HB VAL A 31 6.854 24.337 -9.617 1.00 24.22 H new ATOM 0 HG11 VAL A 31 8.375 22.742 -8.521 1.00 12.45 H new ATOM 0 HG12 VAL A 31 6.999 23.167 -7.476 1.00 12.45 H new ATOM 0 HG13 VAL A 31 7.026 21.600 -8.319 1.00 12.45 H new ATOM 0 HG21 VAL A 31 8.117 22.720 -10.978 1.00 11.44 H new ATOM 0 HG22 VAL A 31 6.756 21.577 -10.876 1.00 11.44 H new ATOM 0 HG23 VAL A 31 6.553 23.130 -11.722 1.00 11.44 H new ATOM 457 N ILE A 32 4.679 22.403 -7.151 1.00 53.11 N ATOM 458 CA ILE A 32 4.344 22.539 -5.739 1.00 73.20 C ATOM 459 C ILE A 32 5.197 21.612 -4.880 1.00 71.30 C ATOM 460 O ILE A 32 4.891 20.428 -4.734 1.00 13.02 O ATOM 461 CB ILE A 32 2.856 22.234 -5.482 1.00 1.24 C ATOM 462 CG1 ILE A 32 1.974 23.063 -6.418 1.00 31.41 C ATOM 463 CG2 ILE A 32 2.502 22.512 -4.028 1.00 64.12 C ATOM 464 CD1 ILE A 32 1.517 22.305 -7.645 1.00 44.42 C ATOM 0 H ILE A 32 4.898 21.451 -7.443 1.00 53.11 H new ATOM 0 HA ILE A 32 4.547 23.574 -5.464 1.00 73.20 H new ATOM 0 HB ILE A 32 2.676 21.178 -5.684 1.00 1.24 H new ATOM 0 HG12 ILE A 32 1.099 23.409 -5.868 1.00 31.41 H new ATOM 0 HG13 ILE A 32 2.524 23.950 -6.732 1.00 31.41 H new ATOM 0 HG21 ILE A 32 1.447 22.292 -3.862 1.00 64.12 H new ATOM 0 HG22 ILE A 32 3.111 21.883 -3.379 1.00 64.12 H new ATOM 0 HG23 ILE A 32 2.694 23.561 -3.801 1.00 64.12 H new ATOM 0 HD11 ILE A 32 0.896 22.954 -8.263 1.00 44.42 H new ATOM 0 HD12 ILE A 32 2.386 21.982 -8.218 1.00 44.42 H new ATOM 0 HD13 ILE A 32 0.939 21.433 -7.340 1.00 44.42 H new ATOM 476 N ILE A 33 6.267 22.158 -4.313 1.00 0.22 N ATOM 477 CA ILE A 33 7.163 21.381 -3.466 1.00 32.34 C ATOM 478 C ILE A 33 6.819 21.561 -1.991 1.00 3.21 C ATOM 479 O ILE A 33 6.754 22.684 -1.491 1.00 54.42 O ATOM 480 CB ILE A 33 8.634 21.776 -3.690 1.00 63.34 C ATOM 481 CG1 ILE A 33 8.855 22.201 -5.144 1.00 13.04 C ATOM 482 CG2 ILE A 33 9.555 20.620 -3.326 1.00 15.54 C ATOM 483 CD1 ILE A 33 9.184 23.669 -5.300 1.00 42.02 C ATOM 0 H ILE A 33 6.535 23.136 -4.425 1.00 0.22 H new ATOM 0 HA ILE A 33 7.030 20.335 -3.743 1.00 32.34 H new ATOM 0 HB ILE A 33 8.870 22.621 -3.043 1.00 63.34 H new ATOM 0 HG12 ILE A 33 9.665 21.608 -5.568 1.00 13.04 H new ATOM 0 HG13 ILE A 33 7.958 21.974 -5.721 1.00 13.04 H new ATOM 0 HG21 ILE A 33 10.591 20.915 -3.490 1.00 15.54 H new ATOM 0 HG22 ILE A 33 9.414 20.358 -2.277 1.00 15.54 H new ATOM 0 HG23 ILE A 33 9.320 19.758 -3.950 1.00 15.54 H new ATOM 0 HD11 ILE A 33 9.328 23.899 -6.356 1.00 42.02 H new ATOM 0 HD12 ILE A 33 8.364 24.269 -4.906 1.00 42.02 H new ATOM 0 HD13 ILE A 33 10.098 23.897 -4.751 1.00 42.02 H new ATOM 495 N ASP A 34 6.603 20.448 -1.299 1.00 73.02 N ATOM 496 CA ASP A 34 6.269 20.482 0.120 1.00 52.30 C ATOM 497 C ASP A 34 7.465 20.065 0.970 1.00 73.31 C ATOM 498 O ASP A 34 7.644 18.884 1.271 1.00 51.34 O ATOM 499 CB ASP A 34 5.078 19.567 0.408 1.00 60.41 C ATOM 500 CG ASP A 34 4.619 18.810 -0.823 1.00 14.10 C ATOM 501 OD1 ASP A 34 4.432 19.451 -1.879 1.00 10.24 O ATOM 502 OD2 ASP A 34 4.446 17.577 -0.731 1.00 24.11 O ATOM 0 H ASP A 34 6.653 19.511 -1.698 1.00 73.02 H new ATOM 0 HA ASP A 34 6.001 21.506 0.380 1.00 52.30 H new ATOM 0 HB2 ASP A 34 5.350 18.856 1.188 1.00 60.41 H new ATOM 0 HB3 ASP A 34 4.251 20.163 0.794 1.00 60.41 H new ATOM 507 N PHE A 35 8.281 21.040 1.353 1.00 3.53 N ATOM 508 CA PHE A 35 9.462 20.774 2.167 1.00 52.11 C ATOM 509 C PHE A 35 9.072 20.144 3.501 1.00 41.11 C ATOM 510 O PHE A 35 7.952 19.660 3.669 1.00 1.22 O ATOM 511 CB PHE A 35 10.242 22.067 2.410 1.00 45.54 C ATOM 512 CG PHE A 35 11.019 22.533 1.211 1.00 55.11 C ATOM 513 CD1 PHE A 35 12.096 21.800 0.739 1.00 55.42 C ATOM 514 CD2 PHE A 35 10.671 23.704 0.556 1.00 2.14 C ATOM 515 CE1 PHE A 35 12.812 22.226 -0.364 1.00 74.13 C ATOM 516 CE2 PHE A 35 11.383 24.134 -0.547 1.00 42.32 C ATOM 517 CZ PHE A 35 12.455 23.395 -1.007 1.00 44.04 C ATOM 0 H PHE A 35 8.147 22.022 1.113 1.00 3.53 H new ATOM 0 HA PHE A 35 10.096 20.072 1.625 1.00 52.11 H new ATOM 0 HB2 PHE A 35 9.546 22.851 2.709 1.00 45.54 H new ATOM 0 HB3 PHE A 35 10.929 21.916 3.242 1.00 45.54 H new ATOM 0 HD1 PHE A 35 12.379 20.885 1.239 1.00 55.42 H new ATOM 0 HD2 PHE A 35 9.834 24.287 0.912 1.00 2.14 H new ATOM 0 HE1 PHE A 35 13.649 21.646 -0.722 1.00 74.13 H new ATOM 0 HE2 PHE A 35 11.101 25.048 -1.049 1.00 42.32 H new ATOM 0 HZ PHE A 35 13.013 23.731 -1.868 1.00 44.04 H new ATOM 527 N THR A 36 10.005 20.153 4.448 1.00 62.11 N ATOM 528 CA THR A 36 9.762 19.582 5.766 1.00 35.43 C ATOM 529 C THR A 36 11.071 19.305 6.496 1.00 31.12 C ATOM 530 O THR A 36 11.975 18.673 5.951 1.00 41.25 O ATOM 531 CB THR A 36 8.954 18.273 5.671 1.00 12.51 C ATOM 532 OG1 THR A 36 9.078 17.531 6.889 1.00 24.02 O ATOM 533 CG2 THR A 36 9.433 17.425 4.503 1.00 41.21 C ATOM 0 H THR A 36 10.937 20.550 4.326 1.00 62.11 H new ATOM 0 HA THR A 36 9.185 20.317 6.327 1.00 35.43 H new ATOM 0 HB THR A 36 7.907 18.529 5.508 1.00 12.51 H new ATOM 0 HG1 THR A 36 8.560 16.702 6.821 1.00 24.02 H new ATOM 0 HG21 THR A 36 8.848 16.506 4.456 1.00 41.21 H new ATOM 0 HG22 THR A 36 9.309 17.982 3.574 1.00 41.21 H new ATOM 0 HG23 THR A 36 10.486 17.178 4.640 1.00 41.21 H new ATOM 541 N ALA A 37 11.166 19.781 7.733 1.00 14.52 N ATOM 542 CA ALA A 37 12.364 19.583 8.539 1.00 71.32 C ATOM 543 C ALA A 37 12.489 18.131 8.988 1.00 34.13 C ATOM 544 O ALA A 37 13.343 17.391 8.500 1.00 13.10 O ATOM 545 CB ALA A 37 12.350 20.511 9.744 1.00 14.11 C ATOM 0 H ALA A 37 10.427 20.307 8.199 1.00 14.52 H new ATOM 0 HA ALA A 37 13.230 19.821 7.922 1.00 71.32 H new ATOM 0 HB1 ALA A 37 13.251 20.352 10.336 1.00 14.11 H new ATOM 0 HB2 ALA A 37 12.317 21.547 9.405 1.00 14.11 H new ATOM 0 HB3 ALA A 37 11.472 20.301 10.355 1.00 14.11 H new ATOM 551 N SER A 38 11.632 17.730 9.922 1.00 20.22 N ATOM 552 CA SER A 38 11.650 16.367 10.441 1.00 14.10 C ATOM 553 C SER A 38 10.407 16.090 11.282 1.00 71.35 C ATOM 554 O SER A 38 9.857 14.989 11.252 1.00 63.43 O ATOM 555 CB SER A 38 12.908 16.134 11.279 1.00 43.02 C ATOM 556 OG SER A 38 13.805 15.257 10.619 1.00 42.51 O ATOM 0 H SER A 38 10.917 18.329 10.335 1.00 20.22 H new ATOM 0 HA SER A 38 11.655 15.682 9.593 1.00 14.10 H new ATOM 0 HB2 SER A 38 13.402 17.086 11.472 1.00 43.02 H new ATOM 0 HB3 SER A 38 12.632 15.716 12.247 1.00 43.02 H new ATOM 0 HG SER A 38 13.978 15.587 9.713 1.00 42.51 H new ATOM 562 N TRP A 39 9.970 17.096 12.030 1.00 4.10 N ATOM 563 CA TRP A 39 8.792 16.962 12.880 1.00 65.44 C ATOM 564 C TRP A 39 7.844 18.140 12.686 1.00 23.20 C ATOM 565 O TRP A 39 6.624 17.981 12.736 1.00 30.11 O ATOM 566 CB TRP A 39 9.207 16.860 14.349 1.00 54.35 C ATOM 567 CG TRP A 39 9.744 18.145 14.904 1.00 33.51 C ATOM 568 CD1 TRP A 39 9.069 19.052 15.669 1.00 13.24 C ATOM 569 CD2 TRP A 39 11.067 18.664 14.736 1.00 42.03 C ATOM 570 NE1 TRP A 39 9.893 20.105 15.987 1.00 71.21 N ATOM 571 CE2 TRP A 39 11.124 19.890 15.427 1.00 44.22 C ATOM 572 CE3 TRP A 39 12.210 18.212 14.070 1.00 11.04 C ATOM 573 CZ2 TRP A 39 12.279 20.667 15.469 1.00 51.42 C ATOM 574 CZ3 TRP A 39 13.355 18.985 14.113 1.00 73.32 C ATOM 575 CH2 TRP A 39 13.383 20.201 14.808 1.00 32.35 C ATOM 0 H TRP A 39 10.413 18.014 12.066 1.00 4.10 H new ATOM 0 HA TRP A 39 8.269 16.049 12.594 1.00 65.44 H new ATOM 0 HB2 TRP A 39 8.347 16.548 14.941 1.00 54.35 H new ATOM 0 HB3 TRP A 39 9.964 16.083 14.452 1.00 54.35 H new ATOM 0 HD1 TRP A 39 8.039 18.956 15.979 1.00 13.24 H new ATOM 0 HE1 TRP A 39 9.630 20.915 16.549 1.00 71.21 H new ATOM 0 HE3 TRP A 39 12.199 17.276 13.532 1.00 11.04 H new ATOM 0 HZ2 TRP A 39 12.303 21.605 16.005 1.00 51.42 H new ATOM 0 HZ3 TRP A 39 14.244 18.646 13.602 1.00 73.32 H new ATOM 0 HH2 TRP A 39 14.293 20.782 14.822 1.00 32.35 H new ATOM 586 N CYS A 40 8.412 19.320 12.465 1.00 51.11 N ATOM 587 CA CYS A 40 7.616 20.526 12.264 1.00 32.23 C ATOM 588 C CYS A 40 6.359 20.219 11.457 1.00 53.11 C ATOM 589 O CYS A 40 5.285 20.751 11.735 1.00 52.12 O ATOM 590 CB CYS A 40 8.445 21.597 11.553 1.00 35.34 C ATOM 591 SG CYS A 40 8.110 23.283 12.115 1.00 71.40 S ATOM 0 H CYS A 40 9.420 19.468 12.420 1.00 51.11 H new ATOM 0 HA CYS A 40 7.315 20.901 13.242 1.00 32.23 H new ATOM 0 HB2 CYS A 40 9.503 21.380 11.700 1.00 35.34 H new ATOM 0 HB3 CYS A 40 8.254 21.538 10.482 1.00 35.34 H new ATOM 0 HG CYS A 40 8.860 24.117 11.457 1.00 71.40 H new ATOM 597 N GLY A 41 6.501 19.358 10.454 1.00 61.02 N ATOM 598 CA GLY A 41 5.370 18.997 9.620 1.00 74.21 C ATOM 599 C GLY A 41 4.501 17.928 10.253 1.00 60.44 C ATOM 600 O GLY A 41 4.994 16.944 10.806 1.00 52.33 O ATOM 0 H GLY A 41 7.380 18.904 10.204 1.00 61.02 H new ATOM 0 HA2 GLY A 41 4.767 19.884 9.427 1.00 74.21 H new ATOM 0 HA3 GLY A 41 5.732 18.642 8.655 1.00 74.21 H new ATOM 604 N PRO A 42 3.175 18.115 10.177 1.00 41.35 N ATOM 605 CA PRO A 42 2.208 17.170 10.742 1.00 21.21 C ATOM 606 C PRO A 42 2.165 15.855 9.972 1.00 71.52 C ATOM 607 O PRO A 42 2.271 14.777 10.559 1.00 73.13 O ATOM 608 CB PRO A 42 0.873 17.908 10.614 1.00 5.53 C ATOM 609 CG PRO A 42 1.072 18.856 9.482 1.00 73.44 C ATOM 610 CD PRO A 42 2.518 19.265 9.532 1.00 32.40 C ATOM 0 HA PRO A 42 2.461 16.892 11.765 1.00 21.21 H new ATOM 0 HB2 PRO A 42 0.056 17.216 10.412 1.00 5.53 H new ATOM 0 HB3 PRO A 42 0.623 18.437 11.534 1.00 5.53 H new ATOM 0 HG2 PRO A 42 0.833 18.382 8.530 1.00 73.44 H new ATOM 0 HG3 PRO A 42 0.418 19.723 9.579 1.00 73.44 H new ATOM 0 HD2 PRO A 42 2.918 19.449 8.535 1.00 32.40 H new ATOM 0 HD3 PRO A 42 2.657 20.181 10.106 1.00 32.40 H new ATOM 618 N CYS A 43 2.009 15.950 8.656 1.00 23.21 N ATOM 619 CA CYS A 43 1.952 14.766 7.805 1.00 11.43 C ATOM 620 C CYS A 43 1.016 13.717 8.396 1.00 52.00 C ATOM 621 O CYS A 43 1.331 12.527 8.411 1.00 44.15 O ATOM 622 CB CYS A 43 3.351 14.175 7.623 1.00 14.14 C ATOM 623 SG CYS A 43 3.721 13.664 5.929 1.00 21.52 S ATOM 0 H CYS A 43 1.920 16.834 8.155 1.00 23.21 H new ATOM 0 HA CYS A 43 1.564 15.066 6.832 1.00 11.43 H new ATOM 0 HB2 CYS A 43 4.089 14.912 7.938 1.00 14.14 H new ATOM 0 HB3 CYS A 43 3.459 13.314 8.283 1.00 14.14 H new ATOM 0 HG CYS A 43 4.926 13.179 5.875 1.00 21.52 H new ATOM 629 N ARG A 44 -0.136 14.166 8.884 1.00 41.44 N ATOM 630 CA ARG A 44 -1.117 13.267 9.478 1.00 23.45 C ATOM 631 C ARG A 44 -2.529 13.825 9.328 1.00 43.14 C ATOM 632 O ARG A 44 -3.391 13.202 8.707 1.00 1.53 O ATOM 633 CB ARG A 44 -0.802 13.041 10.958 1.00 24.43 C ATOM 634 CG ARG A 44 0.243 11.963 11.201 1.00 15.10 C ATOM 635 CD ARG A 44 -0.307 10.840 12.066 1.00 71.41 C ATOM 636 NE ARG A 44 0.613 10.475 13.140 1.00 44.14 N ATOM 637 CZ ARG A 44 0.786 11.202 14.238 1.00 31.11 C ATOM 638 NH1 ARG A 44 0.104 12.326 14.407 1.00 14.10 N ATOM 639 NH2 ARG A 44 1.642 10.804 15.171 1.00 50.14 N ATOM 0 H ARG A 44 -0.412 15.148 8.879 1.00 41.44 H new ATOM 0 HA ARG A 44 -1.064 12.314 8.951 1.00 23.45 H new ATOM 0 HB2 ARG A 44 -0.454 13.977 11.394 1.00 24.43 H new ATOM 0 HB3 ARG A 44 -1.720 12.769 11.479 1.00 24.43 H new ATOM 0 HG2 ARG A 44 0.578 11.558 10.246 1.00 15.10 H new ATOM 0 HG3 ARG A 44 1.115 12.403 11.685 1.00 15.10 H new ATOM 0 HD2 ARG A 44 -1.261 11.147 12.495 1.00 71.41 H new ATOM 0 HD3 ARG A 44 -0.503 9.966 11.444 1.00 71.41 H new ATOM 0 HE ARG A 44 1.152 9.615 13.041 1.00 44.14 H new ATOM 0 HH11 ARG A 44 -0.556 12.635 13.693 1.00 14.10 H new ATOM 0 HH12 ARG A 44 0.239 12.882 15.251 1.00 14.10 H new ATOM 0 HH21 ARG A 44 2.168 9.939 15.045 1.00 50.14 H new ATOM 0 HH22 ARG A 44 1.774 11.363 16.014 1.00 50.14 H new ATOM 653 N PHE A 45 -2.758 15.003 9.899 1.00 21.44 N ATOM 654 CA PHE A 45 -4.065 15.645 9.830 1.00 34.41 C ATOM 655 C PHE A 45 -4.365 16.116 8.410 1.00 33.30 C ATOM 656 O PHE A 45 -5.479 15.949 7.912 1.00 51.50 O ATOM 657 CB PHE A 45 -4.127 16.829 10.796 1.00 13.43 C ATOM 658 CG PHE A 45 -5.414 17.600 10.718 1.00 40.21 C ATOM 659 CD1 PHE A 45 -6.528 17.189 11.432 1.00 71.45 C ATOM 660 CD2 PHE A 45 -5.509 18.737 9.931 1.00 33.31 C ATOM 661 CE1 PHE A 45 -7.713 17.896 11.360 1.00 34.24 C ATOM 662 CE2 PHE A 45 -6.692 19.448 9.856 1.00 0.24 C ATOM 663 CZ PHE A 45 -7.795 19.028 10.573 1.00 71.41 C ATOM 0 H PHE A 45 -2.055 15.532 10.415 1.00 21.44 H new ATOM 0 HA PHE A 45 -4.818 14.911 10.117 1.00 34.41 H new ATOM 0 HB2 PHE A 45 -3.993 16.464 11.814 1.00 13.43 H new ATOM 0 HB3 PHE A 45 -3.296 17.503 10.586 1.00 13.43 H new ATOM 0 HD1 PHE A 45 -6.469 16.306 12.052 1.00 71.45 H new ATOM 0 HD2 PHE A 45 -4.649 19.071 9.370 1.00 33.31 H new ATOM 0 HE1 PHE A 45 -8.575 17.563 11.919 1.00 34.24 H new ATOM 0 HE2 PHE A 45 -6.754 20.331 9.237 1.00 0.24 H new ATOM 0 HZ PHE A 45 -8.720 19.583 10.518 1.00 71.41 H new ATOM 673 N ILE A 46 -3.364 16.704 7.765 1.00 51.43 N ATOM 674 CA ILE A 46 -3.520 17.199 6.402 1.00 0.15 C ATOM 675 C ILE A 46 -2.883 16.247 5.396 1.00 52.34 C ATOM 676 O ILE A 46 -2.736 16.579 4.220 1.00 74.23 O ATOM 677 CB ILE A 46 -2.895 18.597 6.236 1.00 15.14 C ATOM 678 CG1 ILE A 46 -3.576 19.351 5.092 1.00 11.01 C ATOM 679 CG2 ILE A 46 -1.399 18.482 5.986 1.00 12.43 C ATOM 680 CD1 ILE A 46 -3.571 20.853 5.271 1.00 54.10 C ATOM 0 H ILE A 46 -2.436 16.850 8.163 1.00 51.43 H new ATOM 0 HA ILE A 46 -4.591 17.264 6.210 1.00 0.15 H new ATOM 0 HB ILE A 46 -3.047 19.159 7.158 1.00 15.14 H new ATOM 0 HG12 ILE A 46 -3.076 19.103 4.156 1.00 11.01 H new ATOM 0 HG13 ILE A 46 -4.607 19.007 5.004 1.00 11.01 H new ATOM 0 HG21 ILE A 46 -0.972 19.478 5.871 1.00 12.43 H new ATOM 0 HG22 ILE A 46 -0.927 17.980 6.830 1.00 12.43 H new ATOM 0 HG23 ILE A 46 -1.225 17.905 5.077 1.00 12.43 H new ATOM 0 HD11 ILE A 46 -4.070 21.322 4.423 1.00 54.10 H new ATOM 0 HD12 ILE A 46 -4.097 21.112 6.190 1.00 54.10 H new ATOM 0 HD13 ILE A 46 -2.542 21.209 5.329 1.00 54.10 H new ATOM 692 N ALA A 47 -2.508 15.062 5.865 1.00 11.05 N ATOM 693 CA ALA A 47 -1.891 14.060 5.006 1.00 63.03 C ATOM 694 C ALA A 47 -2.787 13.729 3.817 1.00 31.33 C ATOM 695 O ALA A 47 -2.376 13.804 2.659 1.00 15.41 O ATOM 696 CB ALA A 47 -1.579 12.801 5.802 1.00 55.15 C ATOM 0 H ALA A 47 -2.621 14.772 6.836 1.00 11.05 H new ATOM 0 HA ALA A 47 -0.959 14.473 4.621 1.00 63.03 H new ATOM 0 HB1 ALA A 47 -1.118 12.061 5.147 1.00 55.15 H new ATOM 0 HB2 ALA A 47 -0.893 13.044 6.614 1.00 55.15 H new ATOM 0 HB3 ALA A 47 -2.502 12.394 6.216 1.00 55.15 H new ATOM 702 N PRO A 48 -4.041 13.352 4.108 1.00 71.21 N ATOM 703 CA PRO A 48 -5.022 13.001 3.076 1.00 5.21 C ATOM 704 C PRO A 48 -5.469 14.213 2.266 1.00 11.10 C ATOM 705 O PRO A 48 -6.367 14.116 1.429 1.00 22.12 O ATOM 706 CB PRO A 48 -6.194 12.432 3.879 1.00 2.34 C ATOM 707 CG PRO A 48 -6.072 13.061 5.224 1.00 0.24 C ATOM 708 CD PRO A 48 -4.599 13.239 5.466 1.00 4.52 C ATOM 0 HA PRO A 48 -4.612 12.305 2.344 1.00 5.21 H new ATOM 0 HB2 PRO A 48 -7.149 12.676 3.413 1.00 2.34 H new ATOM 0 HB3 PRO A 48 -6.139 11.345 3.944 1.00 2.34 H new ATOM 0 HG2 PRO A 48 -6.591 14.019 5.255 1.00 0.24 H new ATOM 0 HG3 PRO A 48 -6.520 12.430 5.992 1.00 0.24 H new ATOM 0 HD2 PRO A 48 -4.394 14.130 6.060 1.00 4.52 H new ATOM 0 HD3 PRO A 48 -4.175 12.392 6.005 1.00 4.52 H new ATOM 716 N VAL A 49 -4.837 15.355 2.520 1.00 75.13 N ATOM 717 CA VAL A 49 -5.170 16.586 1.813 1.00 62.14 C ATOM 718 C VAL A 49 -4.152 16.883 0.718 1.00 65.35 C ATOM 719 O VAL A 49 -4.516 17.200 -0.415 1.00 11.02 O ATOM 720 CB VAL A 49 -5.236 17.786 2.776 1.00 51.03 C ATOM 721 CG1 VAL A 49 -5.065 19.092 2.015 1.00 73.24 C ATOM 722 CG2 VAL A 49 -6.547 17.777 3.548 1.00 4.01 C ATOM 0 H VAL A 49 -4.092 15.453 3.210 1.00 75.13 H new ATOM 0 HA VAL A 49 -6.151 16.437 1.362 1.00 62.14 H new ATOM 0 HB VAL A 49 -4.418 17.701 3.492 1.00 51.03 H new ATOM 0 HG11 VAL A 49 -5.115 19.928 2.712 1.00 73.24 H new ATOM 0 HG12 VAL A 49 -4.098 19.096 1.512 1.00 73.24 H new ATOM 0 HG13 VAL A 49 -5.860 19.189 1.275 1.00 73.24 H new ATOM 0 HG21 VAL A 49 -6.577 18.632 4.224 1.00 4.01 H new ATOM 0 HG22 VAL A 49 -7.381 17.837 2.849 1.00 4.01 H new ATOM 0 HG23 VAL A 49 -6.623 16.855 4.125 1.00 4.01 H new ATOM 732 N PHE A 50 -2.872 16.777 1.062 1.00 34.12 N ATOM 733 CA PHE A 50 -1.800 17.034 0.108 1.00 2.44 C ATOM 734 C PHE A 50 -1.820 16.010 -1.023 1.00 12.34 C ATOM 735 O PHE A 50 -2.164 16.332 -2.159 1.00 50.25 O ATOM 736 CB PHE A 50 -0.443 17.004 0.814 1.00 3.35 C ATOM 737 CG PHE A 50 -0.320 18.013 1.920 1.00 3.41 C ATOM 738 CD1 PHE A 50 -1.275 19.003 2.082 1.00 14.30 C ATOM 739 CD2 PHE A 50 0.752 17.972 2.797 1.00 2.33 C ATOM 740 CE1 PHE A 50 -1.165 19.933 3.099 1.00 54.33 C ATOM 741 CE2 PHE A 50 0.867 18.899 3.816 1.00 42.20 C ATOM 742 CZ PHE A 50 -0.092 19.882 3.966 1.00 20.41 C ATOM 0 H PHE A 50 -2.553 16.515 1.995 1.00 34.12 H new ATOM 0 HA PHE A 50 -1.958 18.024 -0.320 1.00 2.44 H new ATOM 0 HB2 PHE A 50 -0.277 16.007 1.222 1.00 3.35 H new ATOM 0 HB3 PHE A 50 0.343 17.183 0.081 1.00 3.35 H new ATOM 0 HD1 PHE A 50 -2.116 19.049 1.406 1.00 14.30 H new ATOM 0 HD2 PHE A 50 1.506 17.207 2.683 1.00 2.33 H new ATOM 0 HE1 PHE A 50 -1.918 20.699 3.215 1.00 54.33 H new ATOM 0 HE2 PHE A 50 1.706 18.855 4.494 1.00 42.20 H new ATOM 0 HZ PHE A 50 -0.002 20.609 4.760 1.00 20.41 H new ATOM 752 N ALA A 51 -1.449 14.775 -0.701 1.00 42.43 N ATOM 753 CA ALA A 51 -1.425 13.703 -1.689 1.00 15.43 C ATOM 754 C ALA A 51 -2.713 13.681 -2.505 1.00 50.34 C ATOM 755 O ALA A 51 -2.678 13.648 -3.735 1.00 22.21 O ATOM 756 CB ALA A 51 -1.208 12.361 -1.006 1.00 13.34 C ATOM 0 H ALA A 51 -1.161 14.492 0.236 1.00 42.43 H new ATOM 0 HA ALA A 51 -0.596 13.889 -2.372 1.00 15.43 H new ATOM 0 HB1 ALA A 51 -1.192 11.570 -1.755 1.00 13.34 H new ATOM 0 HB2 ALA A 51 -0.258 12.374 -0.472 1.00 13.34 H new ATOM 0 HB3 ALA A 51 -2.018 12.177 -0.301 1.00 13.34 H new ATOM 762 N GLU A 52 -3.848 13.699 -1.813 1.00 41.43 N ATOM 763 CA GLU A 52 -5.147 13.680 -2.476 1.00 65.32 C ATOM 764 C GLU A 52 -5.297 14.875 -3.413 1.00 34.21 C ATOM 765 O GLU A 52 -5.919 14.773 -4.471 1.00 45.42 O ATOM 766 CB GLU A 52 -6.273 13.684 -1.440 1.00 42.24 C ATOM 767 CG GLU A 52 -6.835 15.067 -1.158 1.00 43.53 C ATOM 768 CD GLU A 52 -8.046 15.030 -0.246 1.00 44.44 C ATOM 769 OE1 GLU A 52 -8.797 14.034 -0.300 1.00 14.42 O ATOM 770 OE2 GLU A 52 -8.242 15.997 0.520 1.00 61.51 O ATOM 0 H GLU A 52 -3.894 13.727 -0.794 1.00 41.43 H new ATOM 0 HA GLU A 52 -5.211 12.767 -3.068 1.00 65.32 H new ATOM 0 HB2 GLU A 52 -7.079 13.038 -1.789 1.00 42.24 H new ATOM 0 HB3 GLU A 52 -5.901 13.256 -0.509 1.00 42.24 H new ATOM 0 HG2 GLU A 52 -6.060 15.684 -0.702 1.00 43.53 H new ATOM 0 HG3 GLU A 52 -7.108 15.543 -2.100 1.00 43.53 H new ATOM 777 N TYR A 53 -4.726 16.006 -3.016 1.00 25.04 N ATOM 778 CA TYR A 53 -4.798 17.222 -3.817 1.00 74.22 C ATOM 779 C TYR A 53 -3.967 17.087 -5.089 1.00 63.50 C ATOM 780 O TYR A 53 -4.437 17.385 -6.186 1.00 51.12 O ATOM 781 CB TYR A 53 -4.315 18.424 -3.004 1.00 21.42 C ATOM 782 CG TYR A 53 -5.371 19.000 -2.088 1.00 74.33 C ATOM 783 CD1 TYR A 53 -6.581 18.344 -1.892 1.00 42.21 C ATOM 784 CD2 TYR A 53 -5.161 20.200 -1.420 1.00 61.43 C ATOM 785 CE1 TYR A 53 -7.549 18.867 -1.057 1.00 74.02 C ATOM 786 CE2 TYR A 53 -6.123 20.729 -0.582 1.00 71.04 C ATOM 787 CZ TYR A 53 -7.316 20.059 -0.404 1.00 44.22 C ATOM 788 OH TYR A 53 -8.277 20.584 0.429 1.00 52.05 O ATOM 0 H TYR A 53 -4.208 16.106 -2.143 1.00 25.04 H new ATOM 0 HA TYR A 53 -5.839 17.378 -4.100 1.00 74.22 H new ATOM 0 HB2 TYR A 53 -3.453 18.126 -2.408 1.00 21.42 H new ATOM 0 HB3 TYR A 53 -3.976 19.202 -3.688 1.00 21.42 H new ATOM 0 HD1 TYR A 53 -6.767 17.410 -2.401 1.00 42.21 H new ATOM 0 HD2 TYR A 53 -4.229 20.728 -1.558 1.00 61.43 H new ATOM 0 HE1 TYR A 53 -8.484 18.345 -0.916 1.00 74.02 H new ATOM 0 HE2 TYR A 53 -5.942 21.662 -0.069 1.00 71.04 H new ATOM 0 HH TYR A 53 -8.406 21.533 0.223 1.00 52.05 H new ATOM 798 N ALA A 54 -2.727 16.633 -4.932 1.00 52.42 N ATOM 799 CA ALA A 54 -1.830 16.455 -6.067 1.00 3.32 C ATOM 800 C ALA A 54 -2.578 15.909 -7.278 1.00 62.30 C ATOM 801 O ALA A 54 -2.403 16.390 -8.398 1.00 33.32 O ATOM 802 CB ALA A 54 -0.682 15.530 -5.691 1.00 43.04 C ATOM 0 H ALA A 54 -2.322 16.382 -4.030 1.00 52.42 H new ATOM 0 HA ALA A 54 -1.424 17.430 -6.335 1.00 3.32 H new ATOM 0 HB1 ALA A 54 -0.020 15.406 -6.548 1.00 43.04 H new ATOM 0 HB2 ALA A 54 -0.124 15.962 -4.860 1.00 43.04 H new ATOM 0 HB3 ALA A 54 -1.079 14.559 -5.395 1.00 43.04 H new ATOM 808 N LYS A 55 -3.411 14.900 -7.047 1.00 53.00 N ATOM 809 CA LYS A 55 -4.187 14.287 -8.119 1.00 12.33 C ATOM 810 C LYS A 55 -5.355 15.181 -8.524 1.00 60.24 C ATOM 811 O LYS A 55 -5.662 15.320 -9.709 1.00 5.24 O ATOM 812 CB LYS A 55 -4.708 12.917 -7.680 1.00 33.03 C ATOM 813 CG LYS A 55 -3.654 12.051 -7.012 1.00 72.33 C ATOM 814 CD LYS A 55 -4.283 11.010 -6.101 1.00 10.11 C ATOM 815 CE LYS A 55 -5.567 10.451 -6.695 1.00 44.13 C ATOM 816 NZ LYS A 55 -6.760 11.238 -6.278 1.00 1.21 N ATOM 0 H LYS A 55 -3.566 14.489 -6.126 1.00 53.00 H new ATOM 0 HA LYS A 55 -3.533 14.161 -8.981 1.00 12.33 H new ATOM 0 HB2 LYS A 55 -5.541 13.058 -6.991 1.00 33.03 H new ATOM 0 HB3 LYS A 55 -5.100 12.391 -8.550 1.00 33.03 H new ATOM 0 HG2 LYS A 55 -3.054 11.554 -7.774 1.00 72.33 H new ATOM 0 HG3 LYS A 55 -2.977 12.681 -6.434 1.00 72.33 H new ATOM 0 HD2 LYS A 55 -3.576 10.198 -5.932 1.00 10.11 H new ATOM 0 HD3 LYS A 55 -4.495 11.456 -5.129 1.00 10.11 H new ATOM 0 HE2 LYS A 55 -5.494 10.451 -7.783 1.00 44.13 H new ATOM 0 HE3 LYS A 55 -5.689 9.414 -6.384 1.00 44.13 H new ATOM 0 HZ1 LYS A 55 -7.486 10.595 -5.902 1.00 1.21 H new ATOM 0 HZ2 LYS A 55 -6.486 11.920 -5.542 1.00 1.21 H new ATOM 0 HZ3 LYS A 55 -7.143 11.749 -7.099 1.00 1.21 H new ATOM 830 N LYS A 56 -6.003 15.786 -7.535 1.00 22.34 N ATOM 831 CA LYS A 56 -7.135 16.669 -7.788 1.00 33.44 C ATOM 832 C LYS A 56 -6.736 17.814 -8.712 1.00 10.41 C ATOM 833 O LYS A 56 -7.565 18.348 -9.450 1.00 21.32 O ATOM 834 CB LYS A 56 -7.677 17.227 -6.470 1.00 12.40 C ATOM 835 CG LYS A 56 -8.259 16.166 -5.553 1.00 20.24 C ATOM 836 CD LYS A 56 -9.684 16.501 -5.144 1.00 44.45 C ATOM 837 CE LYS A 56 -9.750 17.814 -4.379 1.00 45.11 C ATOM 838 NZ LYS A 56 -11.154 18.218 -4.090 1.00 25.31 N ATOM 0 H LYS A 56 -5.763 15.681 -6.549 1.00 22.34 H new ATOM 0 HA LYS A 56 -7.916 16.087 -8.277 1.00 33.44 H new ATOM 0 HB2 LYS A 56 -6.873 17.746 -5.947 1.00 12.40 H new ATOM 0 HB3 LYS A 56 -8.446 17.968 -6.688 1.00 12.40 H new ATOM 0 HG2 LYS A 56 -8.242 15.200 -6.057 1.00 20.24 H new ATOM 0 HG3 LYS A 56 -7.637 16.072 -4.663 1.00 20.24 H new ATOM 0 HD2 LYS A 56 -10.313 16.564 -6.032 1.00 44.45 H new ATOM 0 HD3 LYS A 56 -10.085 15.698 -4.526 1.00 44.45 H new ATOM 0 HE2 LYS A 56 -9.200 17.717 -3.443 1.00 45.11 H new ATOM 0 HE3 LYS A 56 -9.259 18.596 -4.958 1.00 45.11 H new ATOM 0 HZ1 LYS A 56 -11.156 19.117 -3.568 1.00 25.31 H new ATOM 0 HZ2 LYS A 56 -11.672 18.336 -4.984 1.00 25.31 H new ATOM 0 HZ3 LYS A 56 -11.615 17.484 -3.516 1.00 25.31 H new ATOM 852 N PHE A 57 -5.461 18.187 -8.668 1.00 13.42 N ATOM 853 CA PHE A 57 -4.952 19.270 -9.502 1.00 32.20 C ATOM 854 C PHE A 57 -3.968 18.739 -10.540 1.00 44.41 C ATOM 855 O PHE A 57 -2.757 18.694 -10.319 1.00 34.34 O ATOM 856 CB PHE A 57 -4.274 20.334 -8.636 1.00 70.42 C ATOM 857 CG PHE A 57 -5.224 21.366 -8.101 1.00 55.43 C ATOM 858 CD1 PHE A 57 -5.526 22.499 -8.841 1.00 20.33 C ATOM 859 CD2 PHE A 57 -5.816 21.205 -6.859 1.00 30.03 C ATOM 860 CE1 PHE A 57 -6.400 23.451 -8.352 1.00 35.25 C ATOM 861 CE2 PHE A 57 -6.691 22.153 -6.365 1.00 15.43 C ATOM 862 CZ PHE A 57 -6.983 23.278 -7.111 1.00 51.33 C ATOM 0 H PHE A 57 -4.762 17.755 -8.064 1.00 13.42 H new ATOM 0 HA PHE A 57 -5.796 19.721 -10.024 1.00 32.20 H new ATOM 0 HB2 PHE A 57 -3.773 19.845 -7.800 1.00 70.42 H new ATOM 0 HB3 PHE A 57 -3.503 20.832 -9.224 1.00 70.42 H new ATOM 0 HD1 PHE A 57 -5.073 22.639 -9.811 1.00 20.33 H new ATOM 0 HD2 PHE A 57 -5.591 20.328 -6.270 1.00 30.03 H new ATOM 0 HE1 PHE A 57 -6.627 24.329 -8.939 1.00 35.25 H new ATOM 0 HE2 PHE A 57 -7.147 22.014 -5.396 1.00 15.43 H new ATOM 0 HZ PHE A 57 -7.665 24.021 -6.725 1.00 51.33 H new ATOM 872 N PRO A 58 -4.498 18.328 -11.701 1.00 63.15 N ATOM 873 CA PRO A 58 -3.684 17.793 -12.797 1.00 53.15 C ATOM 874 C PRO A 58 -2.824 18.865 -13.457 1.00 41.14 C ATOM 875 O PRO A 58 -1.955 18.562 -14.273 1.00 64.24 O ATOM 876 CB PRO A 58 -4.726 17.261 -13.785 1.00 23.41 C ATOM 877 CG PRO A 58 -5.953 18.059 -13.509 1.00 3.13 C ATOM 878 CD PRO A 58 -5.932 18.354 -12.034 1.00 61.43 C ATOM 0 HA PRO A 58 -2.980 17.037 -12.450 1.00 53.15 H new ATOM 0 HB2 PRO A 58 -4.395 17.388 -14.816 1.00 23.41 H new ATOM 0 HB3 PRO A 58 -4.905 16.196 -13.636 1.00 23.41 H new ATOM 0 HG2 PRO A 58 -5.958 18.980 -14.091 1.00 3.13 H new ATOM 0 HG3 PRO A 58 -6.850 17.503 -13.783 1.00 3.13 H new ATOM 0 HD2 PRO A 58 -6.379 19.323 -11.812 1.00 61.43 H new ATOM 0 HD3 PRO A 58 -6.490 17.608 -11.467 1.00 61.43 H new ATOM 886 N GLY A 59 -3.072 20.121 -13.098 1.00 1.11 N ATOM 887 CA GLY A 59 -2.311 21.219 -13.665 1.00 21.01 C ATOM 888 C GLY A 59 -1.036 21.499 -12.895 1.00 4.02 C ATOM 889 O GLY A 59 -0.456 22.578 -13.012 1.00 52.31 O ATOM 0 H GLY A 59 -3.786 20.398 -12.425 1.00 1.11 H new ATOM 0 HA2 GLY A 59 -2.063 20.988 -14.701 1.00 21.01 H new ATOM 0 HA3 GLY A 59 -2.929 22.117 -13.678 1.00 21.01 H new ATOM 893 N ALA A 60 -0.598 20.525 -12.104 1.00 11.15 N ATOM 894 CA ALA A 60 0.617 20.672 -11.311 1.00 74.04 C ATOM 895 C ALA A 60 1.340 19.338 -11.163 1.00 70.21 C ATOM 896 O ALA A 60 0.764 18.277 -11.408 1.00 4.41 O ATOM 897 CB ALA A 60 0.288 21.251 -9.943 1.00 52.24 C ATOM 0 H ALA A 60 -1.066 19.625 -11.995 1.00 11.15 H new ATOM 0 HA ALA A 60 1.282 21.360 -11.834 1.00 74.04 H new ATOM 0 HB1 ALA A 60 1.204 21.355 -9.362 1.00 52.24 H new ATOM 0 HB2 ALA A 60 -0.178 22.229 -10.064 1.00 52.24 H new ATOM 0 HB3 ALA A 60 -0.399 20.584 -9.421 1.00 52.24 H new ATOM 903 N VAL A 61 2.606 19.397 -10.761 1.00 53.52 N ATOM 904 CA VAL A 61 3.408 18.194 -10.580 1.00 31.41 C ATOM 905 C VAL A 61 3.363 17.716 -9.133 1.00 1.12 C ATOM 906 O VAL A 61 3.364 16.515 -8.864 1.00 23.33 O ATOM 907 CB VAL A 61 4.875 18.430 -10.986 1.00 13.11 C ATOM 908 CG1 VAL A 61 4.961 18.889 -12.433 1.00 51.54 C ATOM 909 CG2 VAL A 61 5.528 19.442 -10.057 1.00 14.42 C ATOM 0 H VAL A 61 3.098 20.266 -10.555 1.00 53.52 H new ATOM 0 HA VAL A 61 2.979 17.428 -11.226 1.00 31.41 H new ATOM 0 HB VAL A 61 5.415 17.488 -10.896 1.00 13.11 H new ATOM 0 HG11 VAL A 61 6.005 19.051 -12.702 1.00 51.54 H new ATOM 0 HG12 VAL A 61 4.533 18.126 -13.083 1.00 51.54 H new ATOM 0 HG13 VAL A 61 4.407 19.820 -12.553 1.00 51.54 H new ATOM 0 HG21 VAL A 61 6.564 19.597 -10.358 1.00 14.42 H new ATOM 0 HG22 VAL A 61 4.989 20.388 -10.112 1.00 14.42 H new ATOM 0 HG23 VAL A 61 5.500 19.068 -9.034 1.00 14.42 H new ATOM 919 N PHE A 62 3.323 18.665 -8.203 1.00 42.24 N ATOM 920 CA PHE A 62 3.278 18.342 -6.782 1.00 64.01 C ATOM 921 C PHE A 62 4.471 17.477 -6.383 1.00 52.41 C ATOM 922 O PHE A 62 5.082 16.817 -7.224 1.00 23.21 O ATOM 923 CB PHE A 62 1.973 17.619 -6.443 1.00 24.32 C ATOM 924 CG PHE A 62 0.760 18.500 -6.529 1.00 71.42 C ATOM 925 CD1 PHE A 62 0.122 18.706 -7.742 1.00 4.00 C ATOM 926 CD2 PHE A 62 0.256 19.121 -5.398 1.00 24.33 C ATOM 927 CE1 PHE A 62 -0.994 19.517 -7.824 1.00 62.22 C ATOM 928 CE2 PHE A 62 -0.860 19.932 -5.474 1.00 1.33 C ATOM 929 CZ PHE A 62 -1.486 20.130 -6.689 1.00 34.44 C ATOM 0 H PHE A 62 3.321 19.664 -8.408 1.00 42.24 H new ATOM 0 HA PHE A 62 3.324 19.275 -6.221 1.00 64.01 H new ATOM 0 HB2 PHE A 62 1.848 16.775 -7.121 1.00 24.32 H new ATOM 0 HB3 PHE A 62 2.045 17.210 -5.435 1.00 24.32 H new ATOM 0 HD1 PHE A 62 0.501 18.228 -8.633 1.00 4.00 H new ATOM 0 HD2 PHE A 62 0.741 18.969 -4.445 1.00 24.33 H new ATOM 0 HE1 PHE A 62 -1.481 19.671 -8.776 1.00 62.22 H new ATOM 0 HE2 PHE A 62 -1.242 20.410 -4.584 1.00 1.33 H new ATOM 0 HZ PHE A 62 -2.359 20.763 -6.751 1.00 34.44 H new ATOM 939 N LEU A 63 4.796 17.487 -5.095 1.00 42.33 N ATOM 940 CA LEU A 63 5.916 16.705 -4.583 1.00 32.20 C ATOM 941 C LEU A 63 6.385 17.243 -3.235 1.00 52.21 C ATOM 942 O LEU A 63 6.315 18.445 -2.976 1.00 21.33 O ATOM 943 CB LEU A 63 7.074 16.720 -5.582 1.00 51.42 C ATOM 944 CG LEU A 63 8.480 16.714 -4.981 1.00 33.25 C ATOM 945 CD1 LEU A 63 9.147 15.365 -5.198 1.00 31.43 C ATOM 946 CD2 LEU A 63 9.322 17.830 -5.581 1.00 11.23 C ATOM 0 H LEU A 63 4.300 18.028 -4.386 1.00 42.33 H new ATOM 0 HA LEU A 63 5.577 15.678 -4.445 1.00 32.20 H new ATOM 0 HB2 LEU A 63 6.976 15.852 -6.234 1.00 51.42 H new ATOM 0 HB3 LEU A 63 6.973 17.605 -6.211 1.00 51.42 H new ATOM 0 HG LEU A 63 8.396 16.887 -3.908 1.00 33.25 H new ATOM 0 HD11 LEU A 63 10.147 15.379 -4.764 1.00 31.43 H new ATOM 0 HD12 LEU A 63 8.555 14.585 -4.719 1.00 31.43 H new ATOM 0 HD13 LEU A 63 9.218 15.162 -6.267 1.00 31.43 H new ATOM 0 HD21 LEU A 63 10.319 17.810 -5.141 1.00 11.23 H new ATOM 0 HD22 LEU A 63 9.398 17.689 -6.659 1.00 11.23 H new ATOM 0 HD23 LEU A 63 8.853 18.792 -5.373 1.00 11.23 H new ATOM 958 N LYS A 64 6.865 16.346 -2.380 1.00 50.43 N ATOM 959 CA LYS A 64 7.350 16.730 -1.060 1.00 14.12 C ATOM 960 C LYS A 64 8.858 16.528 -0.954 1.00 12.21 C ATOM 961 O LYS A 64 9.392 15.515 -1.405 1.00 72.10 O ATOM 962 CB LYS A 64 6.638 15.916 0.024 1.00 41.45 C ATOM 963 CG LYS A 64 7.568 15.013 0.815 1.00 71.34 C ATOM 964 CD LYS A 64 6.792 14.042 1.689 1.00 73.03 C ATOM 965 CE LYS A 64 5.619 13.431 0.937 1.00 14.25 C ATOM 966 NZ LYS A 64 5.183 12.142 1.543 1.00 40.23 N ATOM 0 H LYS A 64 6.928 15.347 -2.578 1.00 50.43 H new ATOM 0 HA LYS A 64 7.132 17.788 -0.914 1.00 14.12 H new ATOM 0 HB2 LYS A 64 6.138 16.599 0.710 1.00 41.45 H new ATOM 0 HB3 LYS A 64 5.863 15.307 -0.441 1.00 41.45 H new ATOM 0 HG2 LYS A 64 8.206 14.456 0.129 1.00 71.34 H new ATOM 0 HG3 LYS A 64 8.224 15.621 1.438 1.00 71.34 H new ATOM 0 HD2 LYS A 64 7.457 13.250 2.034 1.00 73.03 H new ATOM 0 HD3 LYS A 64 6.427 14.561 2.576 1.00 73.03 H new ATOM 0 HE2 LYS A 64 4.784 14.132 0.935 1.00 14.25 H new ATOM 0 HE3 LYS A 64 5.900 13.267 -0.103 1.00 14.25 H new ATOM 0 HZ1 LYS A 64 4.416 11.732 0.973 1.00 40.23 H new ATOM 0 HZ2 LYS A 64 5.986 11.481 1.569 1.00 40.23 H new ATOM 0 HZ3 LYS A 64 4.842 12.311 2.511 1.00 40.23 H new ATOM 980 N VAL A 65 9.540 17.499 -0.354 1.00 34.35 N ATOM 981 CA VAL A 65 10.986 17.426 -0.186 1.00 1.01 C ATOM 982 C VAL A 65 11.368 17.411 1.290 1.00 43.12 C ATOM 983 O VAL A 65 10.592 17.834 2.147 1.00 43.11 O ATOM 984 CB VAL A 65 11.691 18.609 -0.876 1.00 2.14 C ATOM 985 CG1 VAL A 65 13.182 18.593 -0.572 1.00 54.21 C ATOM 986 CG2 VAL A 65 11.444 18.575 -2.376 1.00 71.22 C ATOM 0 H VAL A 65 9.114 18.345 0.024 1.00 34.35 H new ATOM 0 HA VAL A 65 11.313 16.496 -0.652 1.00 1.01 H new ATOM 0 HB VAL A 65 11.274 19.537 -0.484 1.00 2.14 H new ATOM 0 HG11 VAL A 65 13.663 19.436 -1.068 1.00 54.21 H new ATOM 0 HG12 VAL A 65 13.335 18.670 0.505 1.00 54.21 H new ATOM 0 HG13 VAL A 65 13.617 17.662 -0.935 1.00 54.21 H new ATOM 0 HG21 VAL A 65 11.949 19.418 -2.847 1.00 71.22 H new ATOM 0 HG22 VAL A 65 11.832 17.643 -2.788 1.00 71.22 H new ATOM 0 HG23 VAL A 65 10.373 18.639 -2.570 1.00 71.22 H new ATOM 996 N ASP A 66 12.569 16.922 1.579 1.00 31.23 N ATOM 997 CA ASP A 66 13.056 16.853 2.952 1.00 31.11 C ATOM 998 C ASP A 66 14.253 17.778 3.151 1.00 33.42 C ATOM 999 O ASP A 66 15.365 17.472 2.722 1.00 61.23 O ATOM 1000 CB ASP A 66 13.441 15.416 3.308 1.00 40.12 C ATOM 1001 CG ASP A 66 13.538 15.196 4.805 1.00 50.33 C ATOM 1002 OD1 ASP A 66 12.617 15.629 5.528 1.00 20.03 O ATOM 1003 OD2 ASP A 66 14.535 14.592 5.253 1.00 43.23 O ATOM 0 H ASP A 66 13.223 16.568 0.881 1.00 31.23 H new ATOM 0 HA ASP A 66 12.253 17.180 3.613 1.00 31.11 H new ATOM 0 HB2 ASP A 66 12.703 14.731 2.890 1.00 40.12 H new ATOM 0 HB3 ASP A 66 14.398 15.174 2.845 1.00 40.12 H new ATOM 1008 N VAL A 67 14.016 18.911 3.805 1.00 63.14 N ATOM 1009 CA VAL A 67 15.074 19.881 4.061 1.00 64.32 C ATOM 1010 C VAL A 67 15.972 19.425 5.205 1.00 24.24 C ATOM 1011 O VAL A 67 16.420 20.235 6.018 1.00 74.34 O ATOM 1012 CB VAL A 67 14.495 21.267 4.398 1.00 2.33 C ATOM 1013 CG1 VAL A 67 13.521 21.716 3.320 1.00 41.33 C ATOM 1014 CG2 VAL A 67 13.821 21.245 5.762 1.00 53.14 C ATOM 0 H VAL A 67 13.101 19.179 4.167 1.00 63.14 H new ATOM 0 HA VAL A 67 15.664 19.955 3.147 1.00 64.32 H new ATOM 0 HB VAL A 67 15.315 21.985 4.434 1.00 2.33 H new ATOM 0 HG11 VAL A 67 13.122 22.698 3.576 1.00 41.33 H new ATOM 0 HG12 VAL A 67 14.039 21.773 2.363 1.00 41.33 H new ATOM 0 HG13 VAL A 67 12.703 21.000 3.248 1.00 41.33 H new ATOM 0 HG21 VAL A 67 13.417 22.233 5.984 1.00 53.14 H new ATOM 0 HG22 VAL A 67 13.012 20.515 5.756 1.00 53.14 H new ATOM 0 HG23 VAL A 67 14.551 20.971 6.524 1.00 53.14 H new ATOM 1024 N ASP A 68 16.233 18.123 5.263 1.00 13.43 N ATOM 1025 CA ASP A 68 17.079 17.559 6.308 1.00 62.21 C ATOM 1026 C ASP A 68 18.193 16.708 5.705 1.00 53.35 C ATOM 1027 O ASP A 68 19.225 16.482 6.336 1.00 55.14 O ATOM 1028 CB ASP A 68 16.243 16.716 7.272 1.00 13.32 C ATOM 1029 CG ASP A 68 16.671 16.892 8.716 1.00 41.02 C ATOM 1030 OD1 ASP A 68 16.542 18.018 9.240 1.00 2.24 O ATOM 1031 OD2 ASP A 68 17.135 15.903 9.321 1.00 14.32 O ATOM 0 H ASP A 68 15.871 17.439 4.599 1.00 13.43 H new ATOM 0 HA ASP A 68 17.532 18.384 6.858 1.00 62.21 H new ATOM 0 HB2 ASP A 68 15.193 16.989 7.172 1.00 13.32 H new ATOM 0 HB3 ASP A 68 16.327 15.665 6.997 1.00 13.32 H new ATOM 1036 N GLU A 69 17.975 16.239 4.480 1.00 52.52 N ATOM 1037 CA GLU A 69 18.960 15.412 3.793 1.00 52.32 C ATOM 1038 C GLU A 69 19.391 16.058 2.479 1.00 4.03 C ATOM 1039 O GLU A 69 20.523 15.878 2.028 1.00 24.12 O ATOM 1040 CB GLU A 69 18.390 14.018 3.525 1.00 33.21 C ATOM 1041 CG GLU A 69 17.257 14.007 2.512 1.00 45.31 C ATOM 1042 CD GLU A 69 17.457 12.969 1.425 1.00 34.53 C ATOM 1043 OE1 GLU A 69 17.493 11.765 1.756 1.00 62.31 O ATOM 1044 OE2 GLU A 69 17.576 13.359 0.245 1.00 20.13 O ATOM 0 H GLU A 69 17.126 16.418 3.944 1.00 52.52 H new ATOM 0 HA GLU A 69 19.834 15.322 4.438 1.00 52.32 H new ATOM 0 HB2 GLU A 69 19.191 13.370 3.169 1.00 33.21 H new ATOM 0 HB3 GLU A 69 18.031 13.595 4.463 1.00 33.21 H new ATOM 0 HG2 GLU A 69 16.316 13.812 3.027 1.00 45.31 H new ATOM 0 HG3 GLU A 69 17.172 14.993 2.056 1.00 45.31 H new ATOM 1051 N LEU A 70 18.482 16.810 1.870 1.00 52.21 N ATOM 1052 CA LEU A 70 18.767 17.483 0.607 1.00 12.24 C ATOM 1053 C LEU A 70 18.454 18.973 0.702 1.00 41.22 C ATOM 1054 O LEU A 70 18.226 19.636 -0.310 1.00 43.42 O ATOM 1055 CB LEU A 70 17.955 16.851 -0.525 1.00 25.02 C ATOM 1056 CG LEU A 70 16.530 17.375 -0.703 1.00 31.35 C ATOM 1057 CD1 LEU A 70 16.073 17.200 -2.142 1.00 75.43 C ATOM 1058 CD2 LEU A 70 15.579 16.666 0.251 1.00 12.41 C ATOM 0 H LEU A 70 17.541 16.970 2.230 1.00 52.21 H new ATOM 0 HA LEU A 70 19.829 17.366 0.393 1.00 12.24 H new ATOM 0 HB2 LEU A 70 18.495 17.001 -1.460 1.00 25.02 H new ATOM 0 HB3 LEU A 70 17.906 15.776 -0.354 1.00 25.02 H new ATOM 0 HG LEU A 70 16.522 18.439 -0.468 1.00 31.35 H new ATOM 0 HD11 LEU A 70 15.057 17.579 -2.250 1.00 75.43 H new ATOM 0 HD12 LEU A 70 16.738 17.753 -2.805 1.00 75.43 H new ATOM 0 HD13 LEU A 70 16.096 16.142 -2.405 1.00 75.43 H new ATOM 0 HD21 LEU A 70 14.569 17.051 0.111 1.00 12.41 H new ATOM 0 HD22 LEU A 70 15.591 15.595 0.047 1.00 12.41 H new ATOM 0 HD23 LEU A 70 15.896 16.843 1.279 1.00 12.41 H new ATOM 1070 N LYS A 71 18.447 19.495 1.924 1.00 71.41 N ATOM 1071 CA LYS A 71 18.166 20.907 2.152 1.00 50.00 C ATOM 1072 C LYS A 71 18.656 21.755 0.982 1.00 33.14 C ATOM 1073 O LYS A 71 18.035 22.757 0.628 1.00 31.52 O ATOM 1074 CB LYS A 71 18.829 21.377 3.449 1.00 74.00 C ATOM 1075 CG LYS A 71 19.884 20.419 3.975 1.00 55.12 C ATOM 1076 CD LYS A 71 21.101 21.163 4.498 1.00 32.23 C ATOM 1077 CE LYS A 71 22.129 21.390 3.401 1.00 4.22 C ATOM 1078 NZ LYS A 71 23.464 20.842 3.770 1.00 71.32 N ATOM 0 H LYS A 71 18.633 18.960 2.772 1.00 71.41 H new ATOM 0 HA LYS A 71 17.086 21.028 2.238 1.00 50.00 H new ATOM 0 HB2 LYS A 71 19.287 22.352 3.281 1.00 74.00 H new ATOM 0 HB3 LYS A 71 18.061 21.513 4.211 1.00 74.00 H new ATOM 0 HG2 LYS A 71 19.458 19.810 4.772 1.00 55.12 H new ATOM 0 HG3 LYS A 71 20.187 19.737 3.180 1.00 55.12 H new ATOM 0 HD2 LYS A 71 20.792 22.122 4.913 1.00 32.23 H new ATOM 0 HD3 LYS A 71 21.554 20.596 5.311 1.00 32.23 H new ATOM 0 HE2 LYS A 71 21.786 20.921 2.479 1.00 4.22 H new ATOM 0 HE3 LYS A 71 22.217 22.458 3.201 1.00 4.22 H new ATOM 0 HZ1 LYS A 71 24.137 21.017 2.996 1.00 71.32 H new ATOM 0 HZ2 LYS A 71 23.803 21.308 4.636 1.00 71.32 H new ATOM 0 HZ3 LYS A 71 23.385 19.818 3.936 1.00 71.32 H new ATOM 1092 N GLU A 72 19.771 21.345 0.387 1.00 43.54 N ATOM 1093 CA GLU A 72 20.342 22.068 -0.744 1.00 5.54 C ATOM 1094 C GLU A 72 19.244 22.657 -1.624 1.00 51.30 C ATOM 1095 O GLU A 72 19.438 23.684 -2.276 1.00 23.44 O ATOM 1096 CB GLU A 72 21.234 21.141 -1.573 1.00 13.42 C ATOM 1097 CG GLU A 72 20.457 20.159 -2.432 1.00 74.45 C ATOM 1098 CD GLU A 72 21.128 18.802 -2.519 1.00 72.31 C ATOM 1099 OE1 GLU A 72 21.605 18.309 -1.475 1.00 62.05 O ATOM 1100 OE2 GLU A 72 21.176 18.233 -3.630 1.00 21.24 O ATOM 0 H GLU A 72 20.297 20.517 0.668 1.00 43.54 H new ATOM 0 HA GLU A 72 20.946 22.886 -0.351 1.00 5.54 H new ATOM 0 HB2 GLU A 72 21.874 21.745 -2.215 1.00 13.42 H new ATOM 0 HB3 GLU A 72 21.889 20.585 -0.902 1.00 13.42 H new ATOM 0 HG2 GLU A 72 19.454 20.039 -2.023 1.00 74.45 H new ATOM 0 HG3 GLU A 72 20.345 20.570 -3.435 1.00 74.45 H new ATOM 1107 N VAL A 73 18.089 21.999 -1.639 1.00 11.55 N ATOM 1108 CA VAL A 73 16.959 22.457 -2.438 1.00 34.22 C ATOM 1109 C VAL A 73 16.235 23.613 -1.756 1.00 21.42 C ATOM 1110 O VAL A 73 15.968 24.643 -2.374 1.00 65.40 O ATOM 1111 CB VAL A 73 15.955 21.317 -2.694 1.00 52.13 C ATOM 1112 CG1 VAL A 73 14.781 21.815 -3.524 1.00 3.41 C ATOM 1113 CG2 VAL A 73 16.643 20.146 -3.379 1.00 31.34 C ATOM 0 H VAL A 73 17.912 21.147 -1.107 1.00 11.55 H new ATOM 0 HA VAL A 73 17.363 22.798 -3.391 1.00 34.22 H new ATOM 0 HB VAL A 73 15.570 20.973 -1.734 1.00 52.13 H new ATOM 0 HG11 VAL A 73 14.083 20.996 -3.695 1.00 3.41 H new ATOM 0 HG12 VAL A 73 14.274 22.619 -2.991 1.00 3.41 H new ATOM 0 HG13 VAL A 73 15.144 22.187 -4.482 1.00 3.41 H new ATOM 0 HG21 VAL A 73 15.919 19.350 -3.552 1.00 31.34 H new ATOM 0 HG22 VAL A 73 17.057 20.474 -4.333 1.00 31.34 H new ATOM 0 HG23 VAL A 73 17.447 19.774 -2.744 1.00 31.34 H new ATOM 1123 N ALA A 74 15.920 23.434 -0.477 1.00 5.21 N ATOM 1124 CA ALA A 74 15.230 24.463 0.291 1.00 40.24 C ATOM 1125 C ALA A 74 16.083 25.721 0.414 1.00 50.21 C ATOM 1126 O ALA A 74 15.559 26.832 0.483 1.00 10.45 O ATOM 1127 CB ALA A 74 14.862 23.935 1.669 1.00 10.53 C ATOM 0 H ALA A 74 16.132 22.586 0.049 1.00 5.21 H new ATOM 0 HA ALA A 74 14.316 24.727 -0.241 1.00 40.24 H new ATOM 0 HB1 ALA A 74 14.347 24.714 2.232 1.00 10.53 H new ATOM 0 HB2 ALA A 74 14.207 23.070 1.564 1.00 10.53 H new ATOM 0 HB3 ALA A 74 15.768 23.642 2.200 1.00 10.53 H new ATOM 1133 N GLU A 75 17.399 25.538 0.441 1.00 24.11 N ATOM 1134 CA GLU A 75 18.324 26.659 0.558 1.00 51.42 C ATOM 1135 C GLU A 75 18.274 27.538 -0.689 1.00 63.53 C ATOM 1136 O GLU A 75 18.693 28.695 -0.665 1.00 64.00 O ATOM 1137 CB GLU A 75 19.750 26.152 0.781 1.00 2.33 C ATOM 1138 CG GLU A 75 19.854 25.079 1.852 1.00 12.20 C ATOM 1139 CD GLU A 75 20.833 25.444 2.951 1.00 51.11 C ATOM 1140 OE1 GLU A 75 20.701 26.548 3.520 1.00 74.00 O ATOM 1141 OE2 GLU A 75 21.731 24.627 3.242 1.00 70.24 O ATOM 0 H GLU A 75 17.849 24.624 0.383 1.00 24.11 H new ATOM 0 HA GLU A 75 18.021 27.258 1.417 1.00 51.42 H new ATOM 0 HB2 GLU A 75 20.136 25.755 -0.158 1.00 2.33 H new ATOM 0 HB3 GLU A 75 20.386 26.993 1.058 1.00 2.33 H new ATOM 0 HG2 GLU A 75 18.870 24.910 2.289 1.00 12.20 H new ATOM 0 HG3 GLU A 75 20.163 24.141 1.392 1.00 12.20 H new ATOM 1148 N LYS A 76 17.759 26.978 -1.779 1.00 43.51 N ATOM 1149 CA LYS A 76 17.653 27.708 -3.037 1.00 1.52 C ATOM 1150 C LYS A 76 16.392 28.565 -3.064 1.00 14.54 C ATOM 1151 O LYS A 76 16.380 29.652 -3.643 1.00 74.32 O ATOM 1152 CB LYS A 76 17.646 26.734 -4.217 1.00 34.02 C ATOM 1153 CG LYS A 76 16.254 26.422 -4.739 1.00 51.12 C ATOM 1154 CD LYS A 76 16.218 25.091 -5.471 1.00 23.22 C ATOM 1155 CE LYS A 76 15.999 25.281 -6.964 1.00 23.12 C ATOM 1156 NZ LYS A 76 15.704 23.992 -7.650 1.00 11.44 N ATOM 0 H LYS A 76 17.409 26.021 -1.816 1.00 43.51 H new ATOM 0 HA LYS A 76 18.519 28.364 -3.121 1.00 1.52 H new ATOM 0 HB2 LYS A 76 18.243 27.153 -5.027 1.00 34.02 H new ATOM 0 HB3 LYS A 76 18.128 25.805 -3.913 1.00 34.02 H new ATOM 0 HG2 LYS A 76 15.549 26.400 -3.908 1.00 51.12 H new ATOM 0 HG3 LYS A 76 15.930 27.217 -5.411 1.00 51.12 H new ATOM 0 HD2 LYS A 76 17.154 24.558 -5.305 1.00 23.22 H new ATOM 0 HD3 LYS A 76 15.421 24.471 -5.061 1.00 23.22 H new ATOM 0 HE2 LYS A 76 15.174 25.975 -7.125 1.00 23.12 H new ATOM 0 HE3 LYS A 76 16.887 25.733 -7.407 1.00 23.12 H new ATOM 0 HZ1 LYS A 76 16.095 24.014 -8.613 1.00 11.44 H new ATOM 0 HZ2 LYS A 76 16.136 23.209 -7.119 1.00 11.44 H new ATOM 0 HZ3 LYS A 76 14.675 23.852 -7.697 1.00 11.44 H new ATOM 1170 N TYR A 77 15.333 28.071 -2.432 1.00 54.12 N ATOM 1171 CA TYR A 77 14.066 28.792 -2.385 1.00 31.52 C ATOM 1172 C TYR A 77 13.970 29.642 -1.122 1.00 12.11 C ATOM 1173 O TYR A 77 13.127 30.533 -1.023 1.00 30.33 O ATOM 1174 CB TYR A 77 12.894 27.810 -2.442 1.00 63.22 C ATOM 1175 CG TYR A 77 12.855 26.987 -3.710 1.00 41.33 C ATOM 1176 CD1 TYR A 77 13.273 27.523 -4.922 1.00 44.22 C ATOM 1177 CD2 TYR A 77 12.399 25.675 -3.697 1.00 50.00 C ATOM 1178 CE1 TYR A 77 13.239 26.776 -6.084 1.00 32.24 C ATOM 1179 CE2 TYR A 77 12.362 24.920 -4.853 1.00 63.11 C ATOM 1180 CZ TYR A 77 12.783 25.475 -6.044 1.00 31.42 C ATOM 1181 OH TYR A 77 12.747 24.726 -7.198 1.00 15.11 O ATOM 0 H TYR A 77 15.327 27.175 -1.945 1.00 54.12 H new ATOM 0 HA TYR A 77 14.021 29.453 -3.251 1.00 31.52 H new ATOM 0 HB2 TYR A 77 12.951 27.139 -1.585 1.00 63.22 H new ATOM 0 HB3 TYR A 77 11.961 28.365 -2.350 1.00 63.22 H new ATOM 0 HD1 TYR A 77 13.631 28.541 -4.956 1.00 44.22 H new ATOM 0 HD2 TYR A 77 12.068 25.238 -2.767 1.00 50.00 H new ATOM 0 HE1 TYR A 77 13.567 27.208 -7.018 1.00 32.24 H new ATOM 0 HE2 TYR A 77 12.006 23.901 -4.825 1.00 63.11 H new ATOM 0 HH TYR A 77 12.257 23.894 -7.033 1.00 15.11 H new ATOM 1191 N ASN A 78 14.841 29.360 -0.159 1.00 3.12 N ATOM 1192 CA ASN A 78 14.856 30.098 1.099 1.00 40.52 C ATOM 1193 C ASN A 78 13.551 29.896 1.864 1.00 44.44 C ATOM 1194 O ASN A 78 12.776 30.835 2.049 1.00 24.35 O ATOM 1195 CB ASN A 78 15.081 31.589 0.837 1.00 70.15 C ATOM 1196 CG ASN A 78 15.127 32.401 2.117 1.00 61.34 C ATOM 1197 OD1 ASN A 78 14.443 33.416 2.246 1.00 34.21 O ATOM 1198 ND2 ASN A 78 15.937 31.956 3.070 1.00 21.12 N ATOM 0 H ASN A 78 15.546 28.626 -0.225 1.00 3.12 H new ATOM 0 HA ASN A 78 15.676 29.715 1.707 1.00 40.52 H new ATOM 0 HB2 ASN A 78 16.015 31.722 0.292 1.00 70.15 H new ATOM 0 HB3 ASN A 78 14.283 31.967 0.199 1.00 70.15 H new ATOM 0 HD21 ASN A 78 16.011 32.461 3.953 1.00 21.12 H new ATOM 0 HD22 ASN A 78 16.486 31.109 2.919 1.00 21.12 H new ATOM 1205 N VAL A 79 13.315 28.665 2.306 1.00 45.23 N ATOM 1206 CA VAL A 79 12.106 28.340 3.052 1.00 60.40 C ATOM 1207 C VAL A 79 12.312 28.545 4.549 1.00 54.25 C ATOM 1208 O VAL A 79 11.455 29.107 5.231 1.00 64.13 O ATOM 1209 CB VAL A 79 11.666 26.885 2.800 1.00 12.15 C ATOM 1210 CG1 VAL A 79 11.924 26.491 1.354 1.00 1.51 C ATOM 1211 CG2 VAL A 79 12.380 25.940 3.755 1.00 44.14 C ATOM 0 H VAL A 79 13.945 27.877 2.160 1.00 45.23 H new ATOM 0 HA VAL A 79 11.325 29.015 2.700 1.00 60.40 H new ATOM 0 HB VAL A 79 10.594 26.811 2.985 1.00 12.15 H new ATOM 0 HG11 VAL A 79 11.607 25.460 1.196 1.00 1.51 H new ATOM 0 HG12 VAL A 79 11.362 27.149 0.692 1.00 1.51 H new ATOM 0 HG13 VAL A 79 12.988 26.580 1.137 1.00 1.51 H new ATOM 0 HG21 VAL A 79 12.057 24.917 3.563 1.00 44.14 H new ATOM 0 HG22 VAL A 79 13.457 26.015 3.604 1.00 44.14 H new ATOM 0 HG23 VAL A 79 12.138 26.210 4.783 1.00 44.14 H new ATOM 1221 N GLU A 80 13.453 28.087 5.052 1.00 23.41 N ATOM 1222 CA GLU A 80 13.771 28.220 6.469 1.00 51.41 C ATOM 1223 C GLU A 80 13.471 26.926 7.218 1.00 34.45 C ATOM 1224 O GLU A 80 13.192 26.940 8.417 1.00 52.10 O ATOM 1225 CB GLU A 80 12.978 29.375 7.085 1.00 20.12 C ATOM 1226 CG GLU A 80 13.046 30.660 6.277 1.00 71.31 C ATOM 1227 CD GLU A 80 13.835 31.749 6.978 1.00 72.25 C ATOM 1228 OE1 GLU A 80 15.080 31.728 6.890 1.00 45.25 O ATOM 1229 OE2 GLU A 80 13.207 32.621 7.614 1.00 63.04 O ATOM 0 H GLU A 80 14.173 27.621 4.500 1.00 23.41 H new ATOM 0 HA GLU A 80 14.837 28.431 6.558 1.00 51.41 H new ATOM 0 HB2 GLU A 80 11.935 29.075 7.187 1.00 20.12 H new ATOM 0 HB3 GLU A 80 13.354 29.567 8.090 1.00 20.12 H new ATOM 0 HG2 GLU A 80 13.502 30.452 5.309 1.00 71.31 H new ATOM 0 HG3 GLU A 80 12.034 31.017 6.083 1.00 71.31 H new ATOM 1236 N ALA A 81 13.529 25.807 6.503 1.00 43.32 N ATOM 1237 CA ALA A 81 13.265 24.504 7.099 1.00 23.23 C ATOM 1238 C ALA A 81 11.829 24.412 7.604 1.00 63.41 C ATOM 1239 O ALA A 81 11.510 24.899 8.688 1.00 41.22 O ATOM 1240 CB ALA A 81 14.244 24.234 8.233 1.00 14.41 C ATOM 0 H ALA A 81 13.757 25.777 5.509 1.00 43.32 H new ATOM 0 HA ALA A 81 13.401 23.745 6.328 1.00 23.23 H new ATOM 0 HB1 ALA A 81 14.035 23.257 8.669 1.00 14.41 H new ATOM 0 HB2 ALA A 81 15.263 24.248 7.845 1.00 14.41 H new ATOM 0 HB3 ALA A 81 14.136 25.003 8.998 1.00 14.41 H new ATOM 1246 N MET A 82 10.967 23.784 6.811 1.00 64.13 N ATOM 1247 CA MET A 82 9.565 23.628 7.178 1.00 32.14 C ATOM 1248 C MET A 82 8.758 23.057 6.016 1.00 24.13 C ATOM 1249 O MET A 82 9.232 22.972 4.883 1.00 23.32 O ATOM 1250 CB MET A 82 8.976 24.972 7.611 1.00 43.21 C ATOM 1251 CG MET A 82 8.003 25.562 6.603 1.00 1.01 C ATOM 1252 SD MET A 82 8.330 27.301 6.258 1.00 41.34 S ATOM 1253 CE MET A 82 9.771 27.172 5.202 1.00 62.41 C ATOM 0 H MET A 82 11.215 23.375 5.910 1.00 64.13 H new ATOM 0 HA MET A 82 9.510 22.929 8.013 1.00 32.14 H new ATOM 0 HB2 MET A 82 8.465 24.845 8.565 1.00 43.21 H new ATOM 0 HB3 MET A 82 9.789 25.679 7.776 1.00 43.21 H new ATOM 0 HG2 MET A 82 8.060 24.994 5.674 1.00 1.01 H new ATOM 0 HG3 MET A 82 6.986 25.455 6.980 1.00 1.01 H new ATOM 0 HE1 MET A 82 9.767 27.988 4.479 1.00 62.41 H new ATOM 0 HE2 MET A 82 10.674 27.231 5.810 1.00 62.41 H new ATOM 0 HE3 MET A 82 9.751 26.219 4.674 1.00 62.41 H new ATOM 1263 N PRO A 83 7.511 22.656 6.301 1.00 33.43 N ATOM 1264 CA PRO A 83 6.613 22.086 5.293 1.00 75.15 C ATOM 1265 C PRO A 83 6.151 23.124 4.275 1.00 62.41 C ATOM 1266 O PRO A 83 5.000 23.111 3.837 1.00 63.21 O ATOM 1267 CB PRO A 83 5.426 21.582 6.118 1.00 11.20 C ATOM 1268 CG PRO A 83 5.435 22.424 7.347 1.00 22.23 C ATOM 1269 CD PRO A 83 6.880 22.728 7.630 1.00 24.42 C ATOM 0 HA PRO A 83 7.102 21.309 4.706 1.00 75.15 H new ATOM 0 HB2 PRO A 83 4.489 21.690 5.571 1.00 11.20 H new ATOM 0 HB3 PRO A 83 5.533 20.525 6.361 1.00 11.20 H new ATOM 0 HG2 PRO A 83 4.866 23.341 7.196 1.00 22.23 H new ATOM 0 HG3 PRO A 83 4.976 21.898 8.184 1.00 22.23 H new ATOM 0 HD2 PRO A 83 7.003 23.713 8.080 1.00 24.42 H new ATOM 0 HD3 PRO A 83 7.315 22.006 8.321 1.00 24.42 H new ATOM 1277 N THR A 84 7.057 24.022 3.901 1.00 53.41 N ATOM 1278 CA THR A 84 6.742 25.068 2.935 1.00 24.32 C ATOM 1279 C THR A 84 6.369 24.472 1.582 1.00 3.34 C ATOM 1280 O THR A 84 7.158 23.750 0.972 1.00 33.11 O ATOM 1281 CB THR A 84 7.927 26.035 2.749 1.00 73.23 C ATOM 1282 OG1 THR A 84 7.739 27.201 3.558 1.00 50.11 O ATOM 1283 CG2 THR A 84 8.069 26.441 1.290 1.00 51.14 C ATOM 0 H THR A 84 8.014 24.046 4.252 1.00 53.41 H new ATOM 0 HA THR A 84 5.891 25.621 3.332 1.00 24.32 H new ATOM 0 HB THR A 84 8.838 25.523 3.058 1.00 73.23 H new ATOM 0 HG1 THR A 84 7.477 26.932 4.463 1.00 50.11 H new ATOM 0 HG21 THR A 84 8.912 27.124 1.183 1.00 51.14 H new ATOM 0 HG22 THR A 84 8.241 25.554 0.681 1.00 51.14 H new ATOM 0 HG23 THR A 84 7.156 26.937 0.960 1.00 51.14 H new ATOM 1291 N PHE A 85 5.163 24.780 1.118 1.00 51.30 N ATOM 1292 CA PHE A 85 4.685 24.275 -0.164 1.00 22.12 C ATOM 1293 C PHE A 85 5.249 25.099 -1.318 1.00 11.04 C ATOM 1294 O PHE A 85 4.547 25.395 -2.286 1.00 31.34 O ATOM 1295 CB PHE A 85 3.156 24.296 -0.206 1.00 52.24 C ATOM 1296 CG PHE A 85 2.532 22.944 -0.013 1.00 32.24 C ATOM 1297 CD1 PHE A 85 2.730 21.935 -0.942 1.00 12.23 C ATOM 1298 CD2 PHE A 85 1.747 22.681 1.099 1.00 52.34 C ATOM 1299 CE1 PHE A 85 2.157 20.689 -0.766 1.00 44.42 C ATOM 1300 CE2 PHE A 85 1.172 21.437 1.280 1.00 42.44 C ATOM 1301 CZ PHE A 85 1.377 20.441 0.346 1.00 74.35 C ATOM 0 H PHE A 85 4.498 25.377 1.610 1.00 51.30 H new ATOM 0 HA PHE A 85 5.030 23.247 -0.273 1.00 22.12 H new ATOM 0 HB2 PHE A 85 2.789 24.970 0.567 1.00 52.24 H new ATOM 0 HB3 PHE A 85 2.832 24.703 -1.164 1.00 52.24 H new ATOM 0 HD1 PHE A 85 3.339 22.124 -1.814 1.00 12.23 H new ATOM 0 HD2 PHE A 85 1.583 23.457 1.832 1.00 52.34 H new ATOM 0 HE1 PHE A 85 2.319 19.911 -1.497 1.00 44.42 H new ATOM 0 HE2 PHE A 85 0.563 21.244 2.151 1.00 42.44 H new ATOM 0 HZ PHE A 85 0.928 19.469 0.485 1.00 74.35 H new ATOM 1311 N LEU A 86 6.520 25.467 -1.207 1.00 44.45 N ATOM 1312 CA LEU A 86 7.180 26.258 -2.241 1.00 1.33 C ATOM 1313 C LEU A 86 6.616 25.932 -3.620 1.00 20.43 C ATOM 1314 O LEU A 86 6.274 24.784 -3.906 1.00 40.12 O ATOM 1315 CB LEU A 86 8.688 26.004 -2.221 1.00 23.54 C ATOM 1316 CG LEU A 86 9.578 27.225 -2.453 1.00 25.14 C ATOM 1317 CD1 LEU A 86 9.080 28.030 -3.643 1.00 3.13 C ATOM 1318 CD2 LEU A 86 9.630 28.092 -1.203 1.00 41.34 C ATOM 0 H LEU A 86 7.114 25.231 -0.412 1.00 44.45 H new ATOM 0 HA LEU A 86 6.993 27.311 -2.032 1.00 1.33 H new ATOM 0 HB2 LEU A 86 8.950 25.567 -1.257 1.00 23.54 H new ATOM 0 HB3 LEU A 86 8.921 25.260 -2.983 1.00 23.54 H new ATOM 0 HG LEU A 86 10.588 26.879 -2.673 1.00 25.14 H new ATOM 0 HD11 LEU A 86 9.726 28.895 -3.793 1.00 3.13 H new ATOM 0 HD12 LEU A 86 9.096 27.406 -4.537 1.00 3.13 H new ATOM 0 HD13 LEU A 86 8.061 28.367 -3.454 1.00 3.13 H new ATOM 0 HD21 LEU A 86 10.268 28.957 -1.386 1.00 41.34 H new ATOM 0 HD22 LEU A 86 8.624 28.430 -0.952 1.00 41.34 H new ATOM 0 HD23 LEU A 86 10.035 27.511 -0.374 1.00 41.34 H new ATOM 1330 N PHE A 87 6.523 26.948 -4.471 1.00 65.43 N ATOM 1331 CA PHE A 87 6.002 26.768 -5.821 1.00 42.54 C ATOM 1332 C PHE A 87 7.021 27.224 -6.862 1.00 74.35 C ATOM 1333 O PHE A 87 7.740 28.202 -6.656 1.00 73.23 O ATOM 1334 CB PHE A 87 4.696 27.547 -5.994 1.00 44.12 C ATOM 1335 CG PHE A 87 3.558 26.996 -5.184 1.00 60.12 C ATOM 1336 CD1 PHE A 87 3.534 27.146 -3.807 1.00 22.21 C ATOM 1337 CD2 PHE A 87 2.512 26.328 -5.800 1.00 14.51 C ATOM 1338 CE1 PHE A 87 2.488 26.639 -3.059 1.00 62.32 C ATOM 1339 CE2 PHE A 87 1.463 25.820 -5.057 1.00 74.34 C ATOM 1340 CZ PHE A 87 1.451 25.976 -3.685 1.00 54.03 C ATOM 0 H PHE A 87 6.801 27.904 -4.250 1.00 65.43 H new ATOM 0 HA PHE A 87 5.806 25.706 -5.970 1.00 42.54 H new ATOM 0 HB2 PHE A 87 4.862 28.587 -5.712 1.00 44.12 H new ATOM 0 HB3 PHE A 87 4.417 27.543 -7.048 1.00 44.12 H new ATOM 0 HD1 PHE A 87 4.342 27.665 -3.312 1.00 22.21 H new ATOM 0 HD2 PHE A 87 2.516 26.203 -6.873 1.00 14.51 H new ATOM 0 HE1 PHE A 87 2.482 26.761 -1.986 1.00 62.32 H new ATOM 0 HE2 PHE A 87 0.653 25.302 -5.549 1.00 74.34 H new ATOM 0 HZ PHE A 87 0.632 25.580 -3.103 1.00 54.03 H new ATOM 1350 N ILE A 88 7.076 26.507 -7.980 1.00 52.21 N ATOM 1351 CA ILE A 88 8.005 26.837 -9.053 1.00 41.34 C ATOM 1352 C ILE A 88 7.288 26.914 -10.397 1.00 62.31 C ATOM 1353 O ILE A 88 7.415 26.019 -11.233 1.00 71.31 O ATOM 1354 CB ILE A 88 9.144 25.805 -9.150 1.00 34.43 C ATOM 1355 CG1 ILE A 88 9.708 25.504 -7.760 1.00 11.14 C ATOM 1356 CG2 ILE A 88 10.241 26.310 -10.075 1.00 14.54 C ATOM 1357 CD1 ILE A 88 10.470 26.662 -7.153 1.00 74.14 C ATOM 0 H ILE A 88 6.488 25.694 -8.166 1.00 52.21 H new ATOM 0 HA ILE A 88 8.429 27.812 -8.814 1.00 41.34 H new ATOM 0 HB ILE A 88 8.742 24.881 -9.567 1.00 34.43 H new ATOM 0 HG12 ILE A 88 8.888 25.231 -7.096 1.00 11.14 H new ATOM 0 HG13 ILE A 88 10.368 24.639 -7.824 1.00 11.14 H new ATOM 0 HG21 ILE A 88 11.038 25.569 -10.132 1.00 14.54 H new ATOM 0 HG22 ILE A 88 9.829 26.478 -11.070 1.00 14.54 H new ATOM 0 HG23 ILE A 88 10.643 27.246 -9.686 1.00 14.54 H new ATOM 0 HD11 ILE A 88 10.841 26.377 -6.168 1.00 74.14 H new ATOM 0 HD12 ILE A 88 11.311 26.921 -7.796 1.00 74.14 H new ATOM 0 HD13 ILE A 88 9.808 27.523 -7.056 1.00 74.14 H new ATOM 1369 N LYS A 89 6.536 27.990 -10.599 1.00 75.25 N ATOM 1370 CA LYS A 89 5.800 28.187 -11.843 1.00 32.32 C ATOM 1371 C LYS A 89 6.729 28.659 -12.956 1.00 44.11 C ATOM 1372 O LYS A 89 7.400 29.683 -12.825 1.00 3.02 O ATOM 1373 CB LYS A 89 4.674 29.203 -11.638 1.00 43.20 C ATOM 1374 CG LYS A 89 4.011 29.645 -12.931 1.00 34.40 C ATOM 1375 CD LYS A 89 3.358 31.009 -12.785 1.00 42.13 C ATOM 1376 CE LYS A 89 2.066 30.927 -11.987 1.00 60.32 C ATOM 1377 NZ LYS A 89 0.869 30.888 -12.872 1.00 70.11 N ATOM 0 H LYS A 89 6.420 28.740 -9.917 1.00 75.25 H new ATOM 0 HA LYS A 89 5.368 27.230 -12.136 1.00 32.32 H new ATOM 0 HB2 LYS A 89 3.919 28.769 -10.982 1.00 43.20 H new ATOM 0 HB3 LYS A 89 5.075 30.079 -11.127 1.00 43.20 H new ATOM 0 HG2 LYS A 89 4.753 29.680 -13.728 1.00 34.40 H new ATOM 0 HG3 LYS A 89 3.261 28.911 -13.226 1.00 34.40 H new ATOM 0 HD2 LYS A 89 4.049 31.693 -12.292 1.00 42.13 H new ATOM 0 HD3 LYS A 89 3.151 31.422 -13.772 1.00 42.13 H new ATOM 0 HE2 LYS A 89 2.083 30.036 -11.359 1.00 60.32 H new ATOM 0 HE3 LYS A 89 1.996 31.786 -11.319 1.00 60.32 H new ATOM 0 HZ1 LYS A 89 0.009 30.832 -12.290 1.00 70.11 H new ATOM 0 HZ2 LYS A 89 0.839 31.750 -13.453 1.00 70.11 H new ATOM 0 HZ3 LYS A 89 0.922 30.054 -13.492 1.00 70.11 H new ATOM 1391 N ASP A 90 6.763 27.908 -14.051 1.00 72.12 N ATOM 1392 CA ASP A 90 7.608 28.252 -15.189 1.00 23.44 C ATOM 1393 C ASP A 90 9.035 27.754 -14.975 1.00 53.53 C ATOM 1394 O ASP A 90 9.870 27.830 -15.875 1.00 5.42 O ATOM 1395 CB ASP A 90 7.610 29.765 -15.411 1.00 63.21 C ATOM 1396 CG ASP A 90 7.820 30.136 -16.866 1.00 75.31 C ATOM 1397 OD1 ASP A 90 8.860 29.744 -17.435 1.00 61.30 O ATOM 1398 OD2 ASP A 90 6.942 30.817 -17.436 1.00 43.32 O ATOM 0 H ASP A 90 6.215 27.057 -14.175 1.00 72.12 H new ATOM 0 HA ASP A 90 7.201 27.764 -16.074 1.00 23.44 H new ATOM 0 HB2 ASP A 90 6.664 30.181 -15.066 1.00 63.21 H new ATOM 0 HB3 ASP A 90 8.396 30.217 -14.807 1.00 63.21 H new ATOM 1403 N GLY A 91 9.306 27.246 -13.777 1.00 0.21 N ATOM 1404 CA GLY A 91 10.632 26.745 -13.466 1.00 43.45 C ATOM 1405 C GLY A 91 11.489 27.775 -12.757 1.00 23.32 C ATOM 1406 O GLY A 91 12.661 27.952 -13.089 1.00 12.11 O ATOM 0 H GLY A 91 8.631 27.172 -13.016 1.00 0.21 H new ATOM 0 HA2 GLY A 91 10.544 25.857 -12.840 1.00 43.45 H new ATOM 0 HA3 GLY A 91 11.126 26.438 -14.388 1.00 43.45 H new ATOM 1410 N ALA A 92 10.904 28.456 -11.778 1.00 13.34 N ATOM 1411 CA ALA A 92 11.622 29.473 -11.019 1.00 54.12 C ATOM 1412 C ALA A 92 11.117 29.544 -9.582 1.00 2.11 C ATOM 1413 O ALA A 92 11.668 28.901 -8.689 1.00 71.33 O ATOM 1414 CB ALA A 92 11.487 30.829 -11.696 1.00 13.34 C ATOM 0 H ALA A 92 9.934 28.322 -11.491 1.00 13.34 H new ATOM 0 HA ALA A 92 12.676 29.196 -10.992 1.00 54.12 H new ATOM 0 HB1 ALA A 92 12.028 31.579 -11.119 1.00 13.34 H new ATOM 0 HB2 ALA A 92 11.903 30.776 -12.702 1.00 13.34 H new ATOM 0 HB3 ALA A 92 10.434 31.104 -11.752 1.00 13.34 H new ATOM 1420 N GLU A 93 10.068 30.331 -9.366 1.00 75.10 N ATOM 1421 CA GLU A 93 9.491 30.486 -8.036 1.00 11.22 C ATOM 1422 C GLU A 93 8.271 31.403 -8.075 1.00 64.30 C ATOM 1423 O GLU A 93 8.401 32.622 -8.179 1.00 62.00 O ATOM 1424 CB GLU A 93 10.533 31.047 -7.066 1.00 42.22 C ATOM 1425 CG GLU A 93 10.172 30.850 -5.603 1.00 51.55 C ATOM 1426 CD GLU A 93 11.391 30.808 -4.702 1.00 73.22 C ATOM 1427 OE1 GLU A 93 12.470 30.405 -5.184 1.00 43.32 O ATOM 1428 OE2 GLU A 93 11.265 31.176 -3.516 1.00 2.22 O ATOM 0 H GLU A 93 9.601 30.871 -10.094 1.00 75.10 H new ATOM 0 HA GLU A 93 9.174 29.503 -7.689 1.00 11.22 H new ATOM 0 HB2 GLU A 93 11.493 30.570 -7.262 1.00 42.22 H new ATOM 0 HB3 GLU A 93 10.661 32.112 -7.260 1.00 42.22 H new ATOM 0 HG2 GLU A 93 9.516 31.659 -5.282 1.00 51.55 H new ATOM 0 HG3 GLU A 93 9.611 29.922 -5.493 1.00 51.55 H new ATOM 1435 N ALA A 94 7.087 30.806 -7.992 1.00 30.44 N ATOM 1436 CA ALA A 94 5.844 31.567 -8.016 1.00 43.11 C ATOM 1437 C ALA A 94 5.464 32.042 -6.618 1.00 10.21 C ATOM 1438 O ALA A 94 4.878 33.112 -6.454 1.00 11.34 O ATOM 1439 CB ALA A 94 4.724 30.729 -8.614 1.00 13.31 C ATOM 0 H ALA A 94 6.962 29.797 -7.908 1.00 30.44 H new ATOM 0 HA ALA A 94 5.997 32.447 -8.641 1.00 43.11 H new ATOM 0 HB1 ALA A 94 3.802 31.310 -8.626 1.00 13.31 H new ATOM 0 HB2 ALA A 94 4.987 30.444 -9.633 1.00 13.31 H new ATOM 0 HB3 ALA A 94 4.580 29.832 -8.012 1.00 13.31 H new ATOM 1445 N ASP A 95 5.800 31.240 -5.614 1.00 2.02 N ATOM 1446 CA ASP A 95 5.494 31.579 -4.229 1.00 21.01 C ATOM 1447 C ASP A 95 5.524 30.336 -3.346 1.00 22.53 C ATOM 1448 O ASP A 95 5.771 29.228 -3.823 1.00 24.34 O ATOM 1449 CB ASP A 95 4.124 32.252 -4.137 1.00 74.21 C ATOM 1450 CG ASP A 95 4.225 33.761 -4.032 1.00 24.21 C ATOM 1451 OD1 ASP A 95 5.050 34.246 -3.229 1.00 20.32 O ATOM 1452 OD2 ASP A 95 3.481 34.457 -4.753 1.00 60.13 O ATOM 0 H ASP A 95 6.284 30.350 -5.733 1.00 2.02 H new ATOM 0 HA ASP A 95 6.256 32.273 -3.874 1.00 21.01 H new ATOM 0 HB2 ASP A 95 3.535 31.991 -5.016 1.00 74.21 H new ATOM 0 HB3 ASP A 95 3.590 31.865 -3.269 1.00 74.21 H new ATOM 1457 N LYS A 96 5.272 30.526 -2.055 1.00 50.52 N ATOM 1458 CA LYS A 96 5.270 29.422 -1.104 1.00 33.51 C ATOM 1459 C LYS A 96 4.068 29.511 -0.168 1.00 42.54 C ATOM 1460 O LYS A 96 3.338 30.502 -0.174 1.00 15.34 O ATOM 1461 CB LYS A 96 6.565 29.420 -0.289 1.00 0.30 C ATOM 1462 CG LYS A 96 6.676 30.586 0.679 1.00 60.05 C ATOM 1463 CD LYS A 96 7.741 31.576 0.239 1.00 41.45 C ATOM 1464 CE LYS A 96 9.128 31.137 0.682 1.00 61.22 C ATOM 1465 NZ LYS A 96 9.406 31.518 2.094 1.00 11.52 N ATOM 0 H LYS A 96 5.066 31.436 -1.643 1.00 50.52 H new ATOM 0 HA LYS A 96 5.201 28.491 -1.667 1.00 33.51 H new ATOM 0 HB2 LYS A 96 6.631 28.487 0.270 1.00 0.30 H new ATOM 0 HB3 LYS A 96 7.414 29.443 -0.972 1.00 0.30 H new ATOM 0 HG2 LYS A 96 5.714 31.093 0.751 1.00 60.05 H new ATOM 0 HG3 LYS A 96 6.915 30.212 1.675 1.00 60.05 H new ATOM 0 HD2 LYS A 96 7.719 31.677 -0.846 1.00 41.45 H new ATOM 0 HD3 LYS A 96 7.519 32.559 0.655 1.00 41.45 H new ATOM 0 HE2 LYS A 96 9.219 30.056 0.573 1.00 61.22 H new ATOM 0 HE3 LYS A 96 9.877 31.587 0.030 1.00 61.22 H new ATOM 0 HZ1 LYS A 96 10.361 31.201 2.358 1.00 11.52 H new ATOM 0 HZ2 LYS A 96 9.344 32.551 2.193 1.00 11.52 H new ATOM 0 HZ3 LYS A 96 8.707 31.068 2.719 1.00 11.52 H new ATOM 1479 N VAL A 97 3.870 28.471 0.635 1.00 2.21 N ATOM 1480 CA VAL A 97 2.759 28.434 1.578 1.00 11.22 C ATOM 1481 C VAL A 97 3.152 27.712 2.862 1.00 34.01 C ATOM 1482 O VAL A 97 3.813 28.281 3.730 1.00 4.40 O ATOM 1483 CB VAL A 97 1.527 27.739 0.967 1.00 4.54 C ATOM 1484 CG1 VAL A 97 0.465 27.505 2.030 1.00 33.11 C ATOM 1485 CG2 VAL A 97 0.969 28.562 -0.184 1.00 60.43 C ATOM 0 H VAL A 97 4.465 27.643 0.651 1.00 2.21 H new ATOM 0 HA VAL A 97 2.505 29.469 1.810 1.00 11.22 H new ATOM 0 HB VAL A 97 1.834 26.769 0.575 1.00 4.54 H new ATOM 0 HG11 VAL A 97 -0.398 27.013 1.580 1.00 33.11 H new ATOM 0 HG12 VAL A 97 0.873 26.873 2.819 1.00 33.11 H new ATOM 0 HG13 VAL A 97 0.158 28.461 2.454 1.00 33.11 H new ATOM 0 HG21 VAL A 97 0.099 28.057 -0.604 1.00 60.43 H new ATOM 0 HG22 VAL A 97 0.676 29.546 0.181 1.00 60.43 H new ATOM 0 HG23 VAL A 97 1.732 28.673 -0.955 1.00 60.43 H new ATOM 1495 N VAL A 98 2.739 26.453 2.976 1.00 4.44 N ATOM 1496 CA VAL A 98 3.049 25.651 4.154 1.00 43.41 C ATOM 1497 C VAL A 98 2.217 24.374 4.184 1.00 40.43 C ATOM 1498 O VAL A 98 1.063 24.363 3.757 1.00 21.13 O ATOM 1499 CB VAL A 98 2.803 26.442 5.452 1.00 14.34 C ATOM 1500 CG1 VAL A 98 2.182 25.547 6.514 1.00 72.44 C ATOM 1501 CG2 VAL A 98 4.099 27.058 5.955 1.00 5.31 C ATOM 0 H VAL A 98 2.189 25.967 2.267 1.00 4.44 H new ATOM 0 HA VAL A 98 4.106 25.391 4.091 1.00 43.41 H new ATOM 0 HB VAL A 98 2.103 27.249 5.237 1.00 14.34 H new ATOM 0 HG11 VAL A 98 2.016 26.124 7.424 1.00 72.44 H new ATOM 0 HG12 VAL A 98 1.230 25.159 6.151 1.00 72.44 H new ATOM 0 HG13 VAL A 98 2.855 24.717 6.729 1.00 72.44 H new ATOM 0 HG21 VAL A 98 3.906 27.613 6.873 1.00 5.31 H new ATOM 0 HG22 VAL A 98 4.824 26.269 6.154 1.00 5.31 H new ATOM 0 HG23 VAL A 98 4.498 27.734 5.199 1.00 5.31 H new ATOM 1511 N GLY A 99 2.811 23.299 4.691 1.00 23.34 N ATOM 1512 CA GLY A 99 2.110 22.030 4.768 1.00 0.51 C ATOM 1513 C GLY A 99 1.430 21.824 6.107 1.00 52.11 C ATOM 1514 O GLY A 99 1.589 20.779 6.737 1.00 3.31 O ATOM 0 H GLY A 99 3.766 23.284 5.050 1.00 23.34 H new ATOM 0 HA2 GLY A 99 1.365 21.981 3.974 1.00 0.51 H new ATOM 0 HA3 GLY A 99 2.815 21.218 4.593 1.00 0.51 H new ATOM 1518 N ALA A 100 0.670 22.824 6.543 1.00 21.51 N ATOM 1519 CA ALA A 100 -0.037 22.747 7.815 1.00 21.45 C ATOM 1520 C ALA A 100 -1.272 23.642 7.812 1.00 24.55 C ATOM 1521 O ALA A 100 -1.842 23.932 8.864 1.00 31.41 O ATOM 1522 CB ALA A 100 0.891 23.128 8.959 1.00 43.40 C ATOM 0 H ALA A 100 0.529 23.696 6.034 1.00 21.51 H new ATOM 0 HA ALA A 100 -0.367 21.718 7.957 1.00 21.45 H new ATOM 0 HB1 ALA A 100 0.349 23.066 9.903 1.00 43.40 H new ATOM 0 HB2 ALA A 100 1.740 22.444 8.982 1.00 43.40 H new ATOM 0 HB3 ALA A 100 1.250 24.147 8.813 1.00 43.40 H new ATOM 1528 N ARG A 101 -1.678 24.077 6.624 1.00 34.44 N ATOM 1529 CA ARG A 101 -2.845 24.940 6.486 1.00 44.45 C ATOM 1530 C ARG A 101 -3.812 24.384 5.445 1.00 14.22 C ATOM 1531 O ARG A 101 -3.491 24.309 4.259 1.00 4.21 O ATOM 1532 CB ARG A 101 -2.414 26.355 6.093 1.00 72.25 C ATOM 1533 CG ARG A 101 -2.346 27.319 7.266 1.00 63.33 C ATOM 1534 CD ARG A 101 -1.477 26.771 8.387 1.00 30.41 C ATOM 1535 NE ARG A 101 -0.899 27.836 9.202 1.00 21.41 N ATOM 1536 CZ ARG A 101 -0.241 27.619 10.336 1.00 72.14 C ATOM 1537 NH1 ARG A 101 -0.079 26.382 10.786 1.00 44.44 N ATOM 1538 NH2 ARG A 101 0.256 28.640 11.021 1.00 1.33 N ATOM 0 H ARG A 101 -1.217 23.846 5.744 1.00 34.44 H new ATOM 0 HA ARG A 101 -3.356 24.976 7.448 1.00 44.45 H new ATOM 0 HB2 ARG A 101 -1.435 26.308 5.615 1.00 72.25 H new ATOM 0 HB3 ARG A 101 -3.112 26.746 5.353 1.00 72.25 H new ATOM 0 HG2 ARG A 101 -1.947 28.276 6.929 1.00 63.33 H new ATOM 0 HG3 ARG A 101 -3.351 27.507 7.642 1.00 63.33 H new ATOM 0 HD2 ARG A 101 -2.073 26.114 9.020 1.00 30.41 H new ATOM 0 HD3 ARG A 101 -0.677 26.165 7.962 1.00 30.41 H new ATOM 0 HE ARG A 101 -1.006 28.799 8.883 1.00 21.41 H new ATOM 0 HH11 ARG A 101 -0.460 25.594 10.261 1.00 44.44 H new ATOM 0 HH12 ARG A 101 0.426 26.218 11.657 1.00 44.44 H new ATOM 0 HH21 ARG A 101 0.133 29.593 10.678 1.00 1.33 H new ATOM 0 HH22 ARG A 101 0.761 28.473 11.891 1.00 1.33 H new ATOM 1552 N LYS A 102 -4.999 23.995 5.898 1.00 74.55 N ATOM 1553 CA LYS A 102 -6.015 23.446 5.007 1.00 35.44 C ATOM 1554 C LYS A 102 -6.855 24.558 4.389 1.00 53.45 C ATOM 1555 O LYS A 102 -7.907 24.302 3.802 1.00 10.21 O ATOM 1556 CB LYS A 102 -6.919 22.474 5.769 1.00 32.34 C ATOM 1557 CG LYS A 102 -7.331 21.260 4.955 1.00 61.25 C ATOM 1558 CD LYS A 102 -8.598 21.525 4.160 1.00 54.52 C ATOM 1559 CE LYS A 102 -9.569 20.358 4.252 1.00 13.35 C ATOM 1560 NZ LYS A 102 -10.517 20.514 5.391 1.00 64.11 N ATOM 0 H LYS A 102 -5.281 24.050 6.877 1.00 74.55 H new ATOM 0 HA LYS A 102 -5.508 22.909 4.205 1.00 35.44 H new ATOM 0 HB2 LYS A 102 -6.402 22.139 6.668 1.00 32.34 H new ATOM 0 HB3 LYS A 102 -7.814 23.003 6.095 1.00 32.34 H new ATOM 0 HG2 LYS A 102 -6.524 20.986 4.275 1.00 61.25 H new ATOM 0 HG3 LYS A 102 -7.489 20.411 5.620 1.00 61.25 H new ATOM 0 HD2 LYS A 102 -9.079 22.430 4.531 1.00 54.52 H new ATOM 0 HD3 LYS A 102 -8.342 21.705 3.116 1.00 54.52 H new ATOM 0 HE2 LYS A 102 -10.130 20.278 3.321 1.00 13.35 H new ATOM 0 HE3 LYS A 102 -9.011 19.429 4.369 1.00 13.35 H new ATOM 0 HZ1 LYS A 102 -11.162 19.699 5.420 1.00 64.11 H new ATOM 0 HZ2 LYS A 102 -9.983 20.565 6.282 1.00 64.11 H new ATOM 0 HZ3 LYS A 102 -11.068 21.387 5.267 1.00 64.11 H new ATOM 1574 N ASP A 103 -6.384 25.793 4.522 1.00 43.11 N ATOM 1575 CA ASP A 103 -7.090 26.945 3.973 1.00 32.14 C ATOM 1576 C ASP A 103 -6.143 27.831 3.171 1.00 52.45 C ATOM 1577 O ASP A 103 -6.562 28.823 2.573 1.00 11.23 O ATOM 1578 CB ASP A 103 -7.738 27.755 5.097 1.00 2.41 C ATOM 1579 CG ASP A 103 -9.082 28.331 4.696 1.00 63.15 C ATOM 1580 OD1 ASP A 103 -9.114 29.185 3.785 1.00 64.25 O ATOM 1581 OD2 ASP A 103 -10.102 27.927 5.292 1.00 63.44 O ATOM 0 H ASP A 103 -5.516 26.022 5.006 1.00 43.11 H new ATOM 0 HA ASP A 103 -7.869 26.578 3.304 1.00 32.14 H new ATOM 0 HB2 ASP A 103 -7.866 27.118 5.972 1.00 2.41 H new ATOM 0 HB3 ASP A 103 -7.071 28.566 5.387 1.00 2.41 H new ATOM 1586 N ASP A 104 -4.866 27.468 3.162 1.00 64.11 N ATOM 1587 CA ASP A 104 -3.859 28.230 2.433 1.00 43.14 C ATOM 1588 C ASP A 104 -3.307 27.421 1.263 1.00 40.44 C ATOM 1589 O ASP A 104 -2.939 27.979 0.227 1.00 32.45 O ATOM 1590 CB ASP A 104 -2.720 28.638 3.369 1.00 50.03 C ATOM 1591 CG ASP A 104 -2.193 30.027 3.068 1.00 43.22 C ATOM 1592 OD1 ASP A 104 -3.009 30.913 2.740 1.00 72.04 O ATOM 1593 OD2 ASP A 104 -0.963 30.228 3.160 1.00 54.43 O ATOM 0 H ASP A 104 -4.503 26.650 3.652 1.00 64.11 H new ATOM 0 HA ASP A 104 -4.334 29.128 2.039 1.00 43.14 H new ATOM 0 HB2 ASP A 104 -3.070 28.601 4.400 1.00 50.03 H new ATOM 0 HB3 ASP A 104 -1.907 27.917 3.283 1.00 50.03 H new ATOM 1598 N LEU A 105 -3.251 26.105 1.434 1.00 0.31 N ATOM 1599 CA LEU A 105 -2.743 25.219 0.393 1.00 61.03 C ATOM 1600 C LEU A 105 -3.641 25.256 -0.840 1.00 5.50 C ATOM 1601 O LEU A 105 -3.286 25.848 -1.859 1.00 61.02 O ATOM 1602 CB LEU A 105 -2.641 23.787 0.920 1.00 64.42 C ATOM 1603 CG LEU A 105 -2.618 22.682 -0.138 1.00 1.34 C ATOM 1604 CD1 LEU A 105 -1.257 22.618 -0.813 1.00 50.45 C ATOM 1605 CD2 LEU A 105 -2.969 21.339 0.486 1.00 53.50 C ATOM 0 H LEU A 105 -3.551 25.628 2.284 1.00 0.31 H new ATOM 0 HA LEU A 105 -1.750 25.567 0.107 1.00 61.03 H new ATOM 0 HB2 LEU A 105 -1.735 23.706 1.521 1.00 64.42 H new ATOM 0 HB3 LEU A 105 -3.484 23.606 1.587 1.00 64.42 H new ATOM 0 HG LEU A 105 -3.366 22.915 -0.896 1.00 1.34 H new ATOM 0 HD11 LEU A 105 -1.259 21.826 -1.562 1.00 50.45 H new ATOM 0 HD12 LEU A 105 -1.044 23.573 -1.294 1.00 50.45 H new ATOM 0 HD13 LEU A 105 -0.490 22.409 -0.067 1.00 50.45 H new ATOM 0 HD21 LEU A 105 -2.948 20.565 -0.281 1.00 53.50 H new ATOM 0 HD22 LEU A 105 -2.244 21.099 1.264 1.00 53.50 H new ATOM 0 HD23 LEU A 105 -3.967 21.390 0.922 1.00 53.50 H new ATOM 1617 N GLN A 106 -4.804 24.623 -0.738 1.00 34.04 N ATOM 1618 CA GLN A 106 -5.753 24.586 -1.844 1.00 72.31 C ATOM 1619 C GLN A 106 -5.977 25.981 -2.417 1.00 4.41 C ATOM 1620 O GLN A 106 -6.245 26.139 -3.607 1.00 73.41 O ATOM 1621 CB GLN A 106 -7.085 23.992 -1.382 1.00 11.01 C ATOM 1622 CG GLN A 106 -7.613 24.609 -0.097 1.00 1.12 C ATOM 1623 CD GLN A 106 -7.642 23.624 1.055 1.00 64.31 C ATOM 1624 OE1 GLN A 106 -8.600 22.867 1.216 1.00 44.01 O ATOM 1625 NE2 GLN A 106 -6.589 23.627 1.864 1.00 44.31 N ATOM 0 H GLN A 106 -5.112 24.129 0.099 1.00 34.04 H new ATOM 0 HA GLN A 106 -5.334 23.955 -2.627 1.00 72.31 H new ATOM 0 HB2 GLN A 106 -7.826 24.125 -2.170 1.00 11.01 H new ATOM 0 HB3 GLN A 106 -6.964 22.919 -1.237 1.00 11.01 H new ATOM 0 HG2 GLN A 106 -6.990 25.462 0.175 1.00 1.12 H new ATOM 0 HG3 GLN A 106 -8.619 24.991 -0.269 1.00 1.12 H new ATOM 0 HE21 GLN A 106 -5.817 24.271 1.694 1.00 44.31 H new ATOM 0 HE22 GLN A 106 -6.552 22.985 2.656 1.00 44.31 H new ATOM 1634 N ASN A 107 -5.864 26.992 -1.561 1.00 62.00 N ATOM 1635 CA ASN A 107 -6.055 28.375 -1.982 1.00 44.22 C ATOM 1636 C ASN A 107 -4.911 28.832 -2.883 1.00 53.12 C ATOM 1637 O ASN A 107 -5.101 29.659 -3.776 1.00 11.13 O ATOM 1638 CB ASN A 107 -6.155 29.293 -0.762 1.00 21.52 C ATOM 1639 CG ASN A 107 -5.721 30.713 -1.069 1.00 24.33 C ATOM 1640 OD1 ASN A 107 -6.487 31.503 -1.619 1.00 74.13 O ATOM 1641 ND2 ASN A 107 -4.485 31.043 -0.713 1.00 45.21 N ATOM 0 H ASN A 107 -5.641 26.879 -0.572 1.00 62.00 H new ATOM 0 HA ASN A 107 -6.985 28.431 -2.548 1.00 44.22 H new ATOM 0 HB2 ASN A 107 -7.183 29.301 -0.400 1.00 21.52 H new ATOM 0 HB3 ASN A 107 -5.537 28.893 0.042 1.00 21.52 H new ATOM 0 HD21 ASN A 107 -4.136 31.984 -0.894 1.00 45.21 H new ATOM 0 HD22 ASN A 107 -3.884 30.355 -0.259 1.00 45.21 H new ATOM 1648 N THR A 108 -3.722 28.287 -2.644 1.00 14.32 N ATOM 1649 CA THR A 108 -2.548 28.638 -3.432 1.00 50.53 C ATOM 1650 C THR A 108 -2.501 27.844 -4.732 1.00 61.13 C ATOM 1651 O THR A 108 -2.208 28.392 -5.795 1.00 45.02 O ATOM 1652 CB THR A 108 -1.248 28.390 -2.645 1.00 2.23 C ATOM 1653 OG1 THR A 108 -1.142 29.327 -1.566 1.00 63.55 O ATOM 1654 CG2 THR A 108 -0.033 28.514 -3.552 1.00 53.42 C ATOM 0 H THR A 108 -3.547 27.600 -1.910 1.00 14.32 H new ATOM 0 HA THR A 108 -2.628 29.701 -3.661 1.00 50.53 H new ATOM 0 HB THR A 108 -1.280 27.377 -2.244 1.00 2.23 H new ATOM 0 HG1 THR A 108 -1.709 29.035 -0.822 1.00 63.55 H new ATOM 0 HG21 THR A 108 0.873 28.335 -2.973 1.00 53.42 H new ATOM 0 HG22 THR A 108 -0.102 27.780 -4.355 1.00 53.42 H new ATOM 0 HG23 THR A 108 0.002 29.516 -3.979 1.00 53.42 H new ATOM 1662 N ILE A 109 -2.792 26.551 -4.641 1.00 21.33 N ATOM 1663 CA ILE A 109 -2.784 25.682 -5.811 1.00 31.31 C ATOM 1664 C ILE A 109 -3.787 26.159 -6.856 1.00 64.44 C ATOM 1665 O ILE A 109 -3.620 25.911 -8.051 1.00 22.23 O ATOM 1666 CB ILE A 109 -3.108 24.225 -5.432 1.00 74.52 C ATOM 1667 CG1 ILE A 109 -1.881 23.549 -4.818 1.00 2.15 C ATOM 1668 CG2 ILE A 109 -3.588 23.454 -6.653 1.00 42.14 C ATOM 1669 CD1 ILE A 109 -1.680 23.877 -3.355 1.00 21.14 C ATOM 0 H ILE A 109 -3.036 26.082 -3.769 1.00 21.33 H new ATOM 0 HA ILE A 109 -1.778 25.725 -6.230 1.00 31.31 H new ATOM 0 HB ILE A 109 -3.907 24.228 -4.691 1.00 74.52 H new ATOM 0 HG12 ILE A 109 -1.977 22.469 -4.930 1.00 2.15 H new ATOM 0 HG13 ILE A 109 -0.994 23.850 -5.375 1.00 2.15 H new ATOM 0 HG21 ILE A 109 -3.813 22.426 -6.369 1.00 42.14 H new ATOM 0 HG22 ILE A 109 -4.487 23.925 -7.051 1.00 42.14 H new ATOM 0 HG23 ILE A 109 -2.809 23.458 -7.415 1.00 42.14 H new ATOM 0 HD11 ILE A 109 -0.792 23.364 -2.986 1.00 21.14 H new ATOM 0 HD12 ILE A 109 -1.552 24.953 -3.238 1.00 21.14 H new ATOM 0 HD13 ILE A 109 -2.551 23.551 -2.786 1.00 21.14 H new ATOM 1681 N VAL A 110 -4.828 26.846 -6.399 1.00 53.22 N ATOM 1682 CA VAL A 110 -5.857 27.361 -7.295 1.00 11.22 C ATOM 1683 C VAL A 110 -5.391 28.633 -7.994 1.00 4.33 C ATOM 1684 O VAL A 110 -5.804 28.926 -9.116 1.00 64.21 O ATOM 1685 CB VAL A 110 -7.165 27.655 -6.537 1.00 13.11 C ATOM 1686 CG1 VAL A 110 -7.702 26.389 -5.887 1.00 11.01 C ATOM 1687 CG2 VAL A 110 -6.946 28.745 -5.499 1.00 3.31 C ATOM 0 H VAL A 110 -4.982 27.059 -5.413 1.00 53.22 H new ATOM 0 HA VAL A 110 -6.043 26.588 -8.040 1.00 11.22 H new ATOM 0 HB VAL A 110 -7.907 28.010 -7.252 1.00 13.11 H new ATOM 0 HG11 VAL A 110 -8.626 26.617 -5.356 1.00 11.01 H new ATOM 0 HG12 VAL A 110 -7.899 25.641 -6.655 1.00 11.01 H new ATOM 0 HG13 VAL A 110 -6.966 26.001 -5.183 1.00 11.01 H new ATOM 0 HG21 VAL A 110 -7.881 28.940 -4.973 1.00 3.31 H new ATOM 0 HG22 VAL A 110 -6.189 28.421 -4.785 1.00 3.31 H new ATOM 0 HG23 VAL A 110 -6.611 29.657 -5.994 1.00 3.31 H new ATOM 1697 N LYS A 111 -4.527 29.387 -7.323 1.00 5.42 N ATOM 1698 CA LYS A 111 -4.001 30.629 -7.879 1.00 22.42 C ATOM 1699 C LYS A 111 -2.862 30.348 -8.854 1.00 40.51 C ATOM 1700 O LYS A 111 -2.612 31.129 -9.773 1.00 51.21 O ATOM 1701 CB LYS A 111 -3.511 31.547 -6.757 1.00 13.02 C ATOM 1702 CG LYS A 111 -2.010 31.488 -6.534 1.00 41.32 C ATOM 1703 CD LYS A 111 -1.643 31.864 -5.108 1.00 64.24 C ATOM 1704 CE LYS A 111 -1.317 33.345 -4.988 1.00 63.43 C ATOM 1705 NZ LYS A 111 0.045 33.569 -4.428 1.00 14.31 N ATOM 0 H LYS A 111 -4.176 29.160 -6.393 1.00 5.42 H new ATOM 0 HA LYS A 111 -4.806 31.126 -8.421 1.00 22.42 H new ATOM 0 HB2 LYS A 111 -3.795 32.573 -6.989 1.00 13.02 H new ATOM 0 HB3 LYS A 111 -4.018 31.277 -5.831 1.00 13.02 H new ATOM 0 HG2 LYS A 111 -1.648 30.483 -6.751 1.00 41.32 H new ATOM 0 HG3 LYS A 111 -1.511 32.163 -7.229 1.00 41.32 H new ATOM 0 HD2 LYS A 111 -2.469 31.617 -4.441 1.00 64.24 H new ATOM 0 HD3 LYS A 111 -0.785 31.274 -4.784 1.00 64.24 H new ATOM 0 HE2 LYS A 111 -1.388 33.813 -5.970 1.00 63.43 H new ATOM 0 HE3 LYS A 111 -2.056 33.829 -4.350 1.00 63.43 H new ATOM 0 HZ1 LYS A 111 0.303 34.571 -4.534 1.00 14.31 H new ATOM 0 HZ2 LYS A 111 0.052 33.314 -3.420 1.00 14.31 H new ATOM 0 HZ3 LYS A 111 0.732 32.979 -4.939 1.00 14.31 H new ATOM 1719 N HIS A 112 -2.175 29.229 -8.649 1.00 50.01 N ATOM 1720 CA HIS A 112 -1.064 28.845 -9.512 1.00 43.13 C ATOM 1721 C HIS A 112 -1.484 27.744 -10.481 1.00 43.14 C ATOM 1722 O HIS A 112 -1.217 27.824 -11.681 1.00 33.33 O ATOM 1723 CB HIS A 112 0.124 28.375 -8.672 1.00 32.04 C ATOM 1724 CG HIS A 112 0.534 29.354 -7.615 1.00 21.54 C ATOM 1725 ND1 HIS A 112 0.958 29.158 -6.344 1.00 1.34 N flip ATOM 1726 CD2 HIS A 112 0.534 30.718 -7.812 1.00 12.31 C flip ATOM 1727 CE1 HIS A 112 1.205 30.396 -5.802 1.00 14.25 C flip ATOM 1728 NE2 HIS A 112 0.942 31.320 -6.709 1.00 74.14 N flip ATOM 0 H HIS A 112 -2.368 28.572 -7.893 1.00 50.01 H new ATOM 0 HA HIS A 112 -0.767 29.720 -10.090 1.00 43.13 H new ATOM 0 HB2 HIS A 112 -0.129 27.426 -8.199 1.00 32.04 H new ATOM 0 HB3 HIS A 112 0.972 28.187 -9.330 1.00 32.04 H new ATOM 0 HD1 HIS A 112 1.073 28.259 -5.876 1.00 1.34 H new ATOM 0 HD2 HIS A 112 0.246 31.217 -8.725 1.00 12.31 H new ATOM 0 HE1 HIS A 112 1.557 30.583 -4.798 1.00 14.25 H new ATOM 1736 N VAL A 113 -2.141 26.717 -9.953 1.00 71.43 N ATOM 1737 CA VAL A 113 -2.598 25.600 -10.771 1.00 72.44 C ATOM 1738 C VAL A 113 -4.039 25.805 -11.227 1.00 4.14 C ATOM 1739 O VAL A 113 -4.438 25.332 -12.289 1.00 73.34 O ATOM 1740 CB VAL A 113 -2.498 24.266 -10.007 1.00 12.21 C ATOM 1741 CG1 VAL A 113 -2.524 23.093 -10.974 1.00 65.34 C ATOM 1742 CG2 VAL A 113 -1.240 24.236 -9.152 1.00 35.22 C ATOM 0 H VAL A 113 -2.369 26.635 -8.962 1.00 71.43 H new ATOM 0 HA VAL A 113 -1.946 25.560 -11.644 1.00 72.44 H new ATOM 0 HB VAL A 113 -3.361 24.179 -9.347 1.00 12.21 H new ATOM 0 HG11 VAL A 113 -2.452 22.160 -10.416 1.00 65.34 H new ATOM 0 HG12 VAL A 113 -3.456 23.108 -11.539 1.00 65.34 H new ATOM 0 HG13 VAL A 113 -1.682 23.170 -11.662 1.00 65.34 H new ATOM 0 HG21 VAL A 113 -1.185 23.287 -8.619 1.00 35.22 H new ATOM 0 HG22 VAL A 113 -0.363 24.345 -9.791 1.00 35.22 H new ATOM 0 HG23 VAL A 113 -1.269 25.055 -8.433 1.00 35.22 H new ATOM 1752 N GLY A 114 -4.815 26.516 -10.414 1.00 22.21 N ATOM 1753 CA GLY A 114 -6.203 26.772 -10.750 1.00 40.25 C ATOM 1754 C GLY A 114 -6.358 27.894 -11.758 1.00 65.34 C ATOM 1755 O GLY A 114 -7.424 28.065 -12.347 1.00 54.33 O ATOM 0 H GLY A 114 -4.507 26.919 -9.529 1.00 22.21 H new ATOM 0 HA2 GLY A 114 -6.650 25.863 -11.152 1.00 40.25 H new ATOM 0 HA3 GLY A 114 -6.753 27.024 -9.843 1.00 40.25 H new ATOM 1759 N ALA A 115 -5.290 28.660 -11.957 1.00 12.45 N ATOM 1760 CA ALA A 115 -5.312 29.771 -12.900 1.00 40.13 C ATOM 1761 C ALA A 115 -6.603 30.573 -12.774 1.00 42.24 C ATOM 1762 O ALA A 115 -7.205 30.962 -13.776 1.00 10.22 O ATOM 1763 CB ALA A 115 -5.144 29.258 -14.323 1.00 5.32 C ATOM 0 H ALA A 115 -4.399 28.531 -11.478 1.00 12.45 H new ATOM 0 HA ALA A 115 -4.479 30.433 -12.663 1.00 40.13 H new ATOM 0 HB1 ALA A 115 -5.162 30.098 -15.017 1.00 5.32 H new ATOM 0 HB2 ALA A 115 -4.192 28.735 -14.411 1.00 5.32 H new ATOM 0 HB3 ALA A 115 -5.958 28.573 -14.561 1.00 5.32 H new ATOM 1769 N THR A 116 -7.024 30.817 -11.537 1.00 53.44 N ATOM 1770 CA THR A 116 -8.245 31.571 -11.281 1.00 2.43 C ATOM 1771 C THR A 116 -8.320 32.017 -9.825 1.00 4.41 C ATOM 1772 O THR A 116 -8.813 33.104 -9.523 1.00 64.14 O ATOM 1773 CB THR A 116 -9.499 30.742 -11.617 1.00 4.21 C ATOM 1774 OG1 THR A 116 -9.357 30.142 -12.909 1.00 51.12 O ATOM 1775 CG2 THR A 116 -10.746 31.612 -11.590 1.00 51.52 C ATOM 0 H THR A 116 -6.538 30.504 -10.697 1.00 53.44 H new ATOM 0 HA THR A 116 -8.215 32.449 -11.927 1.00 2.43 H new ATOM 0 HB THR A 116 -9.604 29.961 -10.864 1.00 4.21 H new ATOM 0 HG1 THR A 116 -8.837 30.735 -13.490 1.00 51.12 H new ATOM 0 HG21 THR A 116 -11.619 31.005 -11.830 1.00 51.52 H new ATOM 0 HG22 THR A 116 -10.867 32.044 -10.597 1.00 51.52 H new ATOM 0 HG23 THR A 116 -10.647 32.412 -12.324 1.00 51.52 H new ATOM 1783 N ALA A 117 -7.827 31.172 -8.926 1.00 23.12 N ATOM 1784 CA ALA A 117 -7.836 31.481 -7.501 1.00 65.23 C ATOM 1785 C ALA A 117 -9.244 31.811 -7.020 1.00 33.42 C ATOM 1786 O ALA A 117 -10.219 31.623 -7.747 1.00 41.25 O ATOM 1787 CB ALA A 117 -6.891 32.636 -7.206 1.00 43.31 C ATOM 0 H ALA A 117 -7.416 30.268 -9.159 1.00 23.12 H new ATOM 0 HA ALA A 117 -7.493 30.599 -6.961 1.00 65.23 H new ATOM 0 HB1 ALA A 117 -6.908 32.856 -6.139 1.00 43.31 H new ATOM 0 HB2 ALA A 117 -5.879 32.363 -7.505 1.00 43.31 H new ATOM 0 HB3 ALA A 117 -7.209 33.517 -7.763 1.00 43.31 H new ATOM 1793 N ALA A 118 -9.344 32.302 -5.789 1.00 51.01 N ATOM 1794 CA ALA A 118 -10.634 32.659 -5.211 1.00 62.03 C ATOM 1795 C ALA A 118 -10.824 34.172 -5.186 1.00 73.31 C ATOM 1796 O ALA A 118 -11.501 34.736 -6.046 1.00 10.13 O ATOM 1797 CB ALA A 118 -10.760 32.086 -3.807 1.00 70.25 C ATOM 0 H ALA A 118 -8.547 32.462 -5.173 1.00 51.01 H new ATOM 0 HA ALA A 118 -11.416 32.231 -5.838 1.00 62.03 H new ATOM 0 HB1 ALA A 118 -11.728 32.360 -3.388 1.00 70.25 H new ATOM 0 HB2 ALA A 118 -10.677 31.000 -3.848 1.00 70.25 H new ATOM 0 HB3 ALA A 118 -9.965 32.487 -3.178 1.00 70.25 H new ATOM 1803 N SER A 119 -10.224 34.823 -4.195 1.00 21.21 N ATOM 1804 CA SER A 119 -10.332 36.270 -4.055 1.00 44.35 C ATOM 1805 C SER A 119 -9.208 36.817 -3.179 1.00 74.33 C ATOM 1806 O SER A 119 -8.953 36.306 -2.089 1.00 43.41 O ATOM 1807 CB SER A 119 -11.689 36.647 -3.458 1.00 63.11 C ATOM 1808 OG SER A 119 -11.846 38.054 -3.396 1.00 70.22 O ATOM 0 H SER A 119 -9.658 34.371 -3.477 1.00 21.21 H new ATOM 0 HA SER A 119 -10.244 36.713 -5.047 1.00 44.35 H new ATOM 0 HB2 SER A 119 -12.488 36.215 -4.061 1.00 63.11 H new ATOM 0 HB3 SER A 119 -11.780 36.223 -2.458 1.00 63.11 H new ATOM 0 HG SER A 119 -12.722 38.269 -3.012 1.00 70.22 H new ATOM 1814 N ALA A 120 -8.541 37.858 -3.665 1.00 41.21 N ATOM 1815 CA ALA A 120 -7.446 38.476 -2.927 1.00 34.12 C ATOM 1816 C ALA A 120 -6.327 37.474 -2.665 1.00 2.43 C ATOM 1817 O ALA A 120 -6.409 36.316 -3.072 1.00 75.21 O ATOM 1818 CB ALA A 120 -7.956 39.056 -1.616 1.00 4.33 C ATOM 0 H ALA A 120 -8.740 38.291 -4.567 1.00 41.21 H new ATOM 0 HA ALA A 120 -7.039 39.284 -3.536 1.00 34.12 H new ATOM 0 HB1 ALA A 120 -7.128 39.514 -1.075 1.00 4.33 H new ATOM 0 HB2 ALA A 120 -8.716 39.809 -1.823 1.00 4.33 H new ATOM 0 HB3 ALA A 120 -8.389 38.260 -1.010 1.00 4.33 H new ATOM 1824 N SER A 121 -5.280 37.929 -1.983 1.00 32.33 N ATOM 1825 CA SER A 121 -4.141 37.073 -1.670 1.00 55.13 C ATOM 1826 C SER A 121 -4.221 36.566 -0.234 1.00 32.33 C ATOM 1827 O SER A 121 -4.084 35.370 0.022 1.00 32.12 O ATOM 1828 CB SER A 121 -2.831 37.834 -1.882 1.00 54.24 C ATOM 1829 OG SER A 121 -2.833 39.060 -1.172 1.00 12.40 O ATOM 0 H SER A 121 -5.197 38.885 -1.637 1.00 32.33 H new ATOM 0 HA SER A 121 -4.167 36.215 -2.342 1.00 55.13 H new ATOM 0 HB2 SER A 121 -1.993 37.220 -1.552 1.00 54.24 H new ATOM 0 HB3 SER A 121 -2.686 38.026 -2.945 1.00 54.24 H new ATOM 0 HG SER A 121 -1.984 39.527 -1.322 1.00 12.40 H new ATOM 1835 N ALA A 122 -4.444 37.485 0.700 1.00 21.32 N ATOM 1836 CA ALA A 122 -4.544 37.132 2.111 1.00 71.41 C ATOM 1837 C ALA A 122 -3.320 36.345 2.568 1.00 12.32 C ATOM 1838 O ALA A 122 -2.212 36.881 2.625 1.00 33.43 O ATOM 1839 CB ALA A 122 -5.813 36.332 2.366 1.00 71.11 C ATOM 0 H ALA A 122 -4.559 38.480 0.505 1.00 21.32 H new ATOM 0 HA ALA A 122 -4.587 38.055 2.689 1.00 71.41 H new ATOM 0 HB1 ALA A 122 -5.875 36.075 3.423 1.00 71.11 H new ATOM 0 HB2 ALA A 122 -6.681 36.928 2.086 1.00 71.11 H new ATOM 0 HB3 ALA A 122 -5.793 35.419 1.771 1.00 71.11 H new TER 1845 ALA A 122