USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 923 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 7 THR OG1 : rot 134:sc= 0.533 USER MOD Set 1.2: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00149) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.3! C(o=-1.3!,f=-6.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 29 ASN :FLIP amide:sc=-0.00359 F(o=-1.5,f=-0.0036) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 34 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.32) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 38 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.2) USER MOD Single : A 49 ASN : amide:sc=-0.00344 X(o=-0.0034,f=-0.27) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.0566 (180deg=-0.56) USER MOD Single : A 58 GLN : amide:sc= -0.306! C(o=-0.31!,f=-4.7!) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.171 (180deg=-0.926) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 SER OG : rot -160:sc= -0.202 USER MOD Single : A 76 GLN : amide:sc= -3.81! C(o=-3.8!,f=-6.7!) USER MOD Single : A 79 THR OG1 : rot -113:sc= 0.887 USER MOD Single : A 80 SER OG : rot -73:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= -0.158 (180deg=-0.982) USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -0.0849 (180deg=-0.611) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0792 (180deg=-0.611) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -6.7! C(o=-8.4!,f=-6.7!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -150:sc= -0.217 (180deg=-1.35!) USER MOD Single : A 103 CYS SG : rot -32:sc= -0.982 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.986 -3.213 5.809 1.00 0.00 N ATOM 2 CA MET A 1 29.630 -4.478 5.107 1.00 0.00 C ATOM 3 C MET A 1 30.907 -5.236 4.753 1.00 0.00 C ATOM 4 O MET A 1 31.559 -4.940 3.752 1.00 0.00 O ATOM 5 CB MET A 1 28.849 -4.150 3.833 1.00 0.00 C ATOM 6 CG MET A 1 28.414 -5.447 3.149 1.00 0.00 C ATOM 7 SD MET A 1 27.456 -5.056 1.664 1.00 0.00 S ATOM 8 CE MET A 1 28.857 -4.861 0.534 1.00 0.00 C ATOM 0 H1 MET A 1 29.118 -2.694 6.051 1.00 0.00 H new ATOM 0 H2 MET A 1 30.511 -3.435 6.679 1.00 0.00 H new ATOM 0 H3 MET A 1 30.578 -2.626 5.187 1.00 0.00 H new ATOM 0 HA MET A 1 29.012 -5.098 5.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.976 -3.544 4.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.468 -3.560 3.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.288 -6.042 2.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.815 -6.048 3.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.489 -4.630 -0.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.495 -4.049 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.432 -5.787 0.504 1.00 0.00 H new ATOM 18 N SER A 2 31.254 -6.216 5.581 1.00 0.00 N ATOM 19 CA SER A 2 32.453 -7.011 5.345 1.00 0.00 C ATOM 20 C SER A 2 32.252 -7.946 4.156 1.00 0.00 C ATOM 21 O SER A 2 31.161 -8.482 3.954 1.00 0.00 O ATOM 22 CB SER A 2 32.788 -7.832 6.591 1.00 0.00 C ATOM 23 OG SER A 2 33.919 -8.650 6.323 1.00 0.00 O ATOM 0 H SER A 2 30.727 -6.477 6.414 1.00 0.00 H new ATOM 0 HA SER A 2 33.277 -6.333 5.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.994 -7.170 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.936 -8.450 6.873 1.00 0.00 H new ATOM 0 HG SER A 2 34.138 -9.177 7.120 1.00 0.00 H new ATOM 29 N ALA A 3 33.308 -8.136 3.373 1.00 0.00 N ATOM 30 CA ALA A 3 33.235 -9.010 2.209 1.00 0.00 C ATOM 31 C ALA A 3 33.197 -10.475 2.635 1.00 0.00 C ATOM 32 O ALA A 3 34.235 -11.078 2.906 1.00 0.00 O ATOM 33 CB ALA A 3 34.443 -8.773 1.300 1.00 0.00 C ATOM 0 H ALA A 3 34.218 -7.700 3.522 1.00 0.00 H new ATOM 0 HA ALA A 3 32.319 -8.779 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 3 34.380 -9.430 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 3 34.451 -7.735 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 3 35.360 -8.985 1.850 1.00 0.00 H new ATOM 39 N THR A 4 31.995 -11.037 2.696 1.00 0.00 N ATOM 40 CA THR A 4 31.834 -12.432 3.093 1.00 0.00 C ATOM 41 C THR A 4 32.552 -13.352 2.114 1.00 0.00 C ATOM 42 O THR A 4 33.251 -14.282 2.519 1.00 0.00 O ATOM 43 CB THR A 4 30.347 -12.791 3.139 1.00 0.00 C ATOM 44 OG1 THR A 4 29.646 -11.808 3.887 1.00 0.00 O ATOM 45 CG2 THR A 4 30.172 -14.160 3.800 1.00 0.00 C ATOM 0 H THR A 4 31.124 -10.553 2.478 1.00 0.00 H new ATOM 0 HA THR A 4 32.270 -12.563 4.083 1.00 0.00 H new ATOM 0 HB THR A 4 29.950 -12.826 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 4 28.693 -12.036 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 4 29.113 -14.416 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 4 30.709 -14.913 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 4 30.569 -14.128 4.815 1.00 0.00 H new ATOM 53 N ALA A 5 32.373 -13.092 0.823 1.00 0.00 N ATOM 54 CA ALA A 5 33.012 -13.905 -0.206 1.00 0.00 C ATOM 55 C ALA A 5 34.529 -13.764 -0.136 1.00 0.00 C ATOM 56 O ALA A 5 35.048 -12.692 0.170 1.00 0.00 O ATOM 57 CB ALA A 5 32.518 -13.479 -1.589 1.00 0.00 C ATOM 0 H ALA A 5 31.795 -12.331 0.466 1.00 0.00 H new ATOM 0 HA ALA A 5 32.749 -14.949 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 5 33.000 -14.091 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 5 31.438 -13.612 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 5 32.764 -12.430 -1.756 1.00 0.00 H new ATOM 63 N ALA A 6 35.232 -14.856 -0.420 1.00 0.00 N ATOM 64 CA ALA A 6 36.690 -14.842 -0.385 1.00 0.00 C ATOM 65 C ALA A 6 37.239 -13.929 -1.472 1.00 0.00 C ATOM 66 O ALA A 6 36.693 -13.861 -2.573 1.00 0.00 O ATOM 67 CB ALA A 6 37.231 -16.258 -0.590 1.00 0.00 C ATOM 0 H ALA A 6 34.820 -15.754 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 6 37.008 -14.468 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 6 38.320 -16.239 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 6 36.859 -16.908 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.899 -16.638 -1.556 1.00 0.00 H new ATOM 73 N THR A 7 38.325 -13.225 -1.157 1.00 0.00 N ATOM 74 CA THR A 7 38.951 -12.308 -2.115 1.00 0.00 C ATOM 75 C THR A 7 40.462 -12.511 -2.138 1.00 0.00 C ATOM 76 O THR A 7 41.039 -13.060 -1.199 1.00 0.00 O ATOM 77 CB THR A 7 38.635 -10.860 -1.732 1.00 0.00 C ATOM 78 OG1 THR A 7 39.265 -10.551 -0.497 1.00 0.00 O ATOM 79 CG2 THR A 7 37.122 -10.686 -1.591 1.00 0.00 C ATOM 0 H THR A 7 38.790 -13.270 -0.250 1.00 0.00 H new ATOM 0 HA THR A 7 38.551 -12.517 -3.107 1.00 0.00 H new ATOM 0 HB THR A 7 39.005 -10.190 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.713 -9.682 -0.567 1.00 0.00 H new ATOM 0 HG21 THR A 7 36.898 -9.655 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.639 -10.924 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.749 -11.355 -0.816 1.00 0.00 H new ATOM 87 N VAL A 8 41.095 -12.068 -3.219 1.00 0.00 N ATOM 88 CA VAL A 8 42.540 -12.206 -3.361 1.00 0.00 C ATOM 89 C VAL A 8 43.060 -11.263 -4.443 1.00 0.00 C ATOM 90 O VAL A 8 43.382 -11.681 -5.553 1.00 0.00 O ATOM 91 CB VAL A 8 42.889 -13.653 -3.723 1.00 0.00 C ATOM 92 CG1 VAL A 8 42.249 -14.034 -5.086 1.00 0.00 C ATOM 93 CG2 VAL A 8 44.417 -13.802 -3.796 1.00 0.00 C ATOM 0 H VAL A 8 40.633 -11.612 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 8 43.012 -11.946 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 8 42.495 -14.322 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 8 42.504 -15.065 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 8 41.166 -13.934 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 8 42.627 -13.371 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 8 44.670 -14.830 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 8 44.812 -13.129 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 44.854 -13.552 -2.829 1.00 0.00 H new ATOM 103 N PRO A 9 43.137 -10.000 -4.142 1.00 0.00 N ATOM 104 CA PRO A 9 43.622 -8.978 -5.108 1.00 0.00 C ATOM 105 C PRO A 9 45.026 -9.304 -5.639 1.00 0.00 C ATOM 106 O PRO A 9 45.791 -10.017 -4.990 1.00 0.00 O ATOM 107 CB PRO A 9 43.627 -7.672 -4.291 1.00 0.00 C ATOM 108 CG PRO A 9 42.673 -7.916 -3.166 1.00 0.00 C ATOM 109 CD PRO A 9 42.762 -9.407 -2.855 1.00 0.00 C ATOM 0 HA PRO A 9 42.992 -8.923 -5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 9 44.626 -7.443 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 9 43.311 -6.825 -4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 9 42.938 -7.319 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 9 41.658 -7.636 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 9 43.506 -9.613 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 9 41.812 -9.800 -2.493 1.00 0.00 H new ATOM 117 N PRO A 10 45.371 -8.786 -6.790 1.00 0.00 N ATOM 118 CA PRO A 10 46.712 -9.014 -7.407 1.00 0.00 C ATOM 119 C PRO A 10 47.832 -8.354 -6.604 1.00 0.00 C ATOM 120 O PRO A 10 47.618 -7.350 -5.924 1.00 0.00 O ATOM 121 CB PRO A 10 46.579 -8.386 -8.808 1.00 0.00 C ATOM 122 CG PRO A 10 45.486 -7.371 -8.676 1.00 0.00 C ATOM 123 CD PRO A 10 44.523 -7.927 -7.631 1.00 0.00 C ATOM 0 HA PRO A 10 46.979 -10.070 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 10 47.513 -7.921 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 10 46.330 -9.139 -9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 10 45.885 -6.406 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 10 44.981 -7.215 -9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 10 44.061 -7.129 -7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 10 43.715 -8.494 -8.094 1.00 0.00 H new ATOM 131 N ALA A 11 49.028 -8.927 -6.694 1.00 0.00 N ATOM 132 CA ALA A 11 50.177 -8.388 -5.980 1.00 0.00 C ATOM 133 C ALA A 11 50.547 -7.015 -6.533 1.00 0.00 C ATOM 134 O ALA A 11 51.298 -6.907 -7.502 1.00 0.00 O ATOM 135 CB ALA A 11 51.370 -9.334 -6.119 1.00 0.00 C ATOM 0 H ALA A 11 49.225 -9.759 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 11 49.916 -8.289 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 11 52.225 -8.923 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 11 51.113 -10.307 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 11 51.624 -9.447 -7.173 1.00 0.00 H new ATOM 141 N ALA A 12 50.018 -5.968 -5.908 1.00 0.00 N ATOM 142 CA ALA A 12 50.301 -4.607 -6.345 1.00 0.00 C ATOM 143 C ALA A 12 49.697 -3.600 -5.370 1.00 0.00 C ATOM 144 O ALA A 12 48.667 -2.987 -5.655 1.00 0.00 O ATOM 145 CB ALA A 12 49.727 -4.373 -7.742 1.00 0.00 C ATOM 0 H ALA A 12 49.395 -6.035 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 12 51.382 -4.471 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 12 49.944 -3.353 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 12 50.179 -5.075 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 12 48.648 -4.525 -7.722 1.00 0.00 H new ATOM 151 N PRO A 13 50.320 -3.420 -4.235 1.00 0.00 N ATOM 152 CA PRO A 13 49.841 -2.466 -3.191 1.00 0.00 C ATOM 153 C PRO A 13 49.748 -1.036 -3.721 1.00 0.00 C ATOM 154 O PRO A 13 50.552 -0.617 -4.553 1.00 0.00 O ATOM 155 CB PRO A 13 50.902 -2.576 -2.075 1.00 0.00 C ATOM 156 CG PRO A 13 51.585 -3.887 -2.309 1.00 0.00 C ATOM 157 CD PRO A 13 51.545 -4.116 -3.817 1.00 0.00 C ATOM 0 HA PRO A 13 48.835 -2.706 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 13 51.611 -1.749 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 13 50.440 -2.543 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 13 52.612 -3.863 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 13 51.077 -4.692 -1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 13 52.427 -3.707 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 13 51.507 -5.178 -4.061 1.00 0.00 H new ATOM 165 N ALA A 14 48.760 -0.295 -3.232 1.00 0.00 N ATOM 166 CA ALA A 14 48.570 1.085 -3.660 1.00 0.00 C ATOM 167 C ALA A 14 47.748 1.854 -2.634 1.00 0.00 C ATOM 168 O ALA A 14 47.007 1.265 -1.848 1.00 0.00 O ATOM 169 CB ALA A 14 47.861 1.120 -5.014 1.00 0.00 C ATOM 0 H ALA A 14 48.083 -0.624 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 14 49.549 1.555 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 14 47.723 2.155 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 14 48.465 0.595 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 14 46.889 0.634 -4.928 1.00 0.00 H new ATOM 175 N GLY A 15 47.887 3.177 -2.643 1.00 0.00 N ATOM 176 CA GLY A 15 47.153 4.025 -1.708 1.00 0.00 C ATOM 177 C GLY A 15 47.940 4.214 -0.418 1.00 0.00 C ATOM 178 O GLY A 15 48.931 3.524 -0.178 1.00 0.00 O ATOM 0 H GLY A 15 48.498 3.683 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 15 46.958 4.995 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 15 46.185 3.576 -1.486 1.00 0.00 H new ATOM 182 N GLU A 16 47.495 5.154 0.411 1.00 0.00 N ATOM 183 CA GLU A 16 48.163 5.433 1.681 1.00 0.00 C ATOM 184 C GLU A 16 47.156 5.889 2.729 1.00 0.00 C ATOM 185 O GLU A 16 46.124 6.473 2.400 1.00 0.00 O ATOM 186 CB GLU A 16 49.227 6.514 1.479 1.00 0.00 C ATOM 187 CG GLU A 16 48.565 7.796 0.968 1.00 0.00 C ATOM 188 CD GLU A 16 49.627 8.851 0.680 1.00 0.00 C ATOM 189 OE1 GLU A 16 50.592 8.910 1.423 1.00 0.00 O ATOM 190 OE2 GLU A 16 49.458 9.586 -0.279 1.00 0.00 O ATOM 0 H GLU A 16 46.677 5.735 0.228 1.00 0.00 H new ATOM 0 HA GLU A 16 48.638 4.517 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 16 49.745 6.709 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 16 49.978 6.171 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 16 47.995 7.585 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 16 47.859 8.171 1.709 1.00 0.00 H new ATOM 197 N GLY A 17 47.464 5.620 3.993 1.00 0.00 N ATOM 198 CA GLY A 17 46.578 6.008 5.083 1.00 0.00 C ATOM 199 C GLY A 17 47.106 5.504 6.421 1.00 0.00 C ATOM 200 O GLY A 17 47.535 4.356 6.537 1.00 0.00 O ATOM 0 H GLY A 17 48.314 5.138 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 17 46.483 7.094 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 17 45.581 5.606 4.907 1.00 0.00 H new ATOM 204 N GLY A 18 47.073 6.370 7.429 1.00 0.00 N ATOM 205 CA GLY A 18 47.552 6.002 8.756 1.00 0.00 C ATOM 206 C GLY A 18 49.018 5.584 8.705 1.00 0.00 C ATOM 207 O GLY A 18 49.382 4.504 9.169 1.00 0.00 O ATOM 0 H GLY A 18 46.722 7.325 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 18 47.433 6.844 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 18 46.949 5.184 9.151 1.00 0.00 H new ATOM 211 N PRO A 19 49.858 6.419 8.147 1.00 0.00 N ATOM 212 CA PRO A 19 51.315 6.132 8.032 1.00 0.00 C ATOM 213 C PRO A 19 52.002 6.093 9.398 1.00 0.00 C ATOM 214 O PRO A 19 51.475 6.608 10.385 1.00 0.00 O ATOM 215 CB PRO A 19 51.856 7.290 7.170 1.00 0.00 C ATOM 216 CG PRO A 19 50.859 8.396 7.330 1.00 0.00 C ATOM 217 CD PRO A 19 49.507 7.723 7.567 1.00 0.00 C ATOM 0 HA PRO A 19 51.505 5.152 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 19 52.846 7.601 7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 19 51.951 6.993 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 19 51.125 9.041 8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 19 50.830 9.025 6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.883 8.307 8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.949 7.610 6.638 1.00 0.00 H new ATOM 225 N PRO A 20 53.165 5.499 9.464 1.00 0.00 N ATOM 226 CA PRO A 20 53.946 5.398 10.731 1.00 0.00 C ATOM 227 C PRO A 20 54.402 6.770 11.232 1.00 0.00 C ATOM 228 O PRO A 20 54.747 7.648 10.442 1.00 0.00 O ATOM 229 CB PRO A 20 55.151 4.511 10.350 1.00 0.00 C ATOM 230 CG PRO A 20 55.281 4.648 8.863 1.00 0.00 C ATOM 231 CD PRO A 20 53.865 4.862 8.335 1.00 0.00 C ATOM 0 HA PRO A 20 53.356 4.983 11.548 1.00 0.00 H new ATOM 0 HB2 PRO A 20 56.058 4.839 10.857 1.00 0.00 H new ATOM 0 HB3 PRO A 20 54.983 3.473 10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 20 55.925 5.488 8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 20 55.729 3.755 8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 20 53.859 5.498 7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 20 53.396 3.919 8.053 1.00 0.00 H new ATOM 239 N ALA A 21 54.404 6.940 12.550 1.00 0.00 N ATOM 240 CA ALA A 21 54.828 8.192 13.154 1.00 0.00 C ATOM 241 C ALA A 21 56.361 8.278 13.172 1.00 0.00 C ATOM 242 O ALA A 21 56.936 9.315 12.840 1.00 0.00 O ATOM 243 CB ALA A 21 54.271 8.296 14.594 1.00 0.00 C ATOM 0 H ALA A 21 54.116 6.225 13.218 1.00 0.00 H new ATOM 0 HA ALA A 21 54.439 9.021 12.563 1.00 0.00 H new ATOM 0 HB1 ALA A 21 54.592 9.237 15.041 1.00 0.00 H new ATOM 0 HB2 ALA A 21 53.182 8.261 14.566 1.00 0.00 H new ATOM 0 HB3 ALA A 21 54.646 7.464 15.190 1.00 0.00 H new ATOM 249 N PRO A 22 57.019 7.214 13.572 1.00 0.00 N ATOM 250 CA PRO A 22 58.496 7.181 13.656 1.00 0.00 C ATOM 251 C PRO A 22 59.144 6.897 12.301 1.00 0.00 C ATOM 252 O PRO A 22 58.492 6.402 11.382 1.00 0.00 O ATOM 253 CB PRO A 22 58.775 6.048 14.658 1.00 0.00 C ATOM 254 CG PRO A 22 57.584 5.129 14.584 1.00 0.00 C ATOM 255 CD PRO A 22 56.421 5.931 13.980 1.00 0.00 C ATOM 0 HA PRO A 22 58.914 8.139 13.966 1.00 0.00 H new ATOM 0 HB2 PRO A 22 59.693 5.519 14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 22 58.903 6.441 15.667 1.00 0.00 H new ATOM 0 HG2 PRO A 22 57.809 4.258 13.969 1.00 0.00 H new ATOM 0 HG3 PRO A 22 57.322 4.760 15.576 1.00 0.00 H new ATOM 0 HD2 PRO A 22 55.982 5.411 13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 22 55.624 6.080 14.708 1.00 0.00 H new ATOM 263 N PRO A 23 60.409 7.202 12.172 1.00 0.00 N ATOM 264 CA PRO A 23 61.164 6.974 10.908 1.00 0.00 C ATOM 265 C PRO A 23 61.190 5.495 10.516 1.00 0.00 C ATOM 266 O PRO A 23 60.915 4.618 11.336 1.00 0.00 O ATOM 267 CB PRO A 23 62.586 7.496 11.223 1.00 0.00 C ATOM 268 CG PRO A 23 62.672 7.526 12.718 1.00 0.00 C ATOM 269 CD PRO A 23 61.258 7.804 13.212 1.00 0.00 C ATOM 0 HA PRO A 23 60.706 7.482 10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 23 63.348 6.843 10.798 1.00 0.00 H new ATOM 0 HB3 PRO A 23 62.744 8.488 10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 23 63.042 6.577 13.107 1.00 0.00 H new ATOM 0 HG3 PRO A 23 63.362 8.300 13.054 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.078 7.354 14.188 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.071 8.873 13.314 1.00 0.00 H new ATOM 277 N PRO A 24 61.524 5.213 9.283 1.00 0.00 N ATOM 278 CA PRO A 24 61.601 3.816 8.767 1.00 0.00 C ATOM 279 C PRO A 24 62.730 3.026 9.430 1.00 0.00 C ATOM 280 O PRO A 24 62.731 1.795 9.413 1.00 0.00 O ATOM 281 CB PRO A 24 61.857 3.994 7.257 1.00 0.00 C ATOM 282 CG PRO A 24 62.467 5.357 7.125 1.00 0.00 C ATOM 283 CD PRO A 24 61.862 6.201 8.243 1.00 0.00 C ATOM 0 HA PRO A 24 60.696 3.247 8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 24 62.527 3.223 6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 24 60.930 3.920 6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 24 63.552 5.309 7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 24 62.248 5.789 6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 24 62.569 6.944 8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 24 60.979 6.742 7.903 1.00 0.00 H new ATOM 291 N ASN A 25 63.689 3.741 10.007 1.00 0.00 N ATOM 292 CA ASN A 25 64.818 3.093 10.664 1.00 0.00 C ATOM 293 C ASN A 25 64.447 2.689 12.082 1.00 0.00 C ATOM 294 O ASN A 25 64.560 3.484 13.015 1.00 0.00 O ATOM 295 CB ASN A 25 66.014 4.046 10.702 1.00 0.00 C ATOM 296 CG ASN A 25 67.216 3.351 11.331 1.00 0.00 C ATOM 297 OD1 ASN A 25 67.062 2.330 12.002 1.00 0.00 O ATOM 298 ND2 ASN A 25 68.410 3.845 11.157 1.00 0.00 N ATOM 0 H ASN A 25 63.708 4.760 10.034 1.00 0.00 H new ATOM 0 HA ASN A 25 65.082 2.199 10.099 1.00 0.00 H new ATOM 0 HB2 ASN A 25 66.261 4.373 9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 25 65.760 4.939 11.273 1.00 0.00 H new ATOM 0 HD21 ASN A 25 69.218 3.386 11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 25 68.536 4.691 10.601 1.00 0.00 H new ATOM 305 N LEU A 26 64.009 1.444 12.236 1.00 0.00 N ATOM 306 CA LEU A 26 63.624 0.939 13.547 1.00 0.00 C ATOM 307 C LEU A 26 63.281 -0.545 13.467 1.00 0.00 C ATOM 308 O LEU A 26 63.980 -1.387 14.028 1.00 0.00 O ATOM 309 CB LEU A 26 62.414 1.719 14.079 1.00 0.00 C ATOM 310 CG LEU A 26 61.961 1.139 15.429 1.00 0.00 C ATOM 311 CD1 LEU A 26 63.126 1.178 16.434 1.00 0.00 C ATOM 312 CD2 LEU A 26 60.787 1.963 15.964 1.00 0.00 C ATOM 0 H LEU A 26 63.912 0.771 11.475 1.00 0.00 H new ATOM 0 HA LEU A 26 64.465 1.072 14.227 1.00 0.00 H new ATOM 0 HB2 LEU A 26 62.673 2.771 14.195 1.00 0.00 H new ATOM 0 HB3 LEU A 26 61.596 1.670 13.361 1.00 0.00 H new ATOM 0 HG LEU A 26 61.648 0.104 15.292 1.00 0.00 H new ATOM 0 HD11 LEU A 26 62.798 0.766 17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 26 63.958 0.587 16.050 1.00 0.00 H new ATOM 0 HD13 LEU A 26 63.449 2.209 16.577 1.00 0.00 H new ATOM 0 HD21 LEU A 26 60.463 1.555 16.921 1.00 0.00 H new ATOM 0 HD22 LEU A 26 61.100 2.998 16.098 1.00 0.00 H new ATOM 0 HD23 LEU A 26 59.961 1.923 15.254 1.00 0.00 H new ATOM 324 N THR A 27 62.187 -0.855 12.777 1.00 0.00 N ATOM 325 CA THR A 27 61.741 -2.239 12.635 1.00 0.00 C ATOM 326 C THR A 27 61.107 -2.450 11.269 1.00 0.00 C ATOM 327 O THR A 27 60.787 -1.489 10.572 1.00 0.00 O ATOM 328 CB THR A 27 60.725 -2.579 13.728 1.00 0.00 C ATOM 329 OG1 THR A 27 60.384 -3.955 13.640 1.00 0.00 O ATOM 330 CG2 THR A 27 59.468 -1.726 13.548 1.00 0.00 C ATOM 0 H THR A 27 61.594 -0.170 12.309 1.00 0.00 H new ATOM 0 HA THR A 27 62.607 -2.894 12.732 1.00 0.00 H new ATOM 0 HB THR A 27 61.160 -2.372 14.706 1.00 0.00 H new ATOM 0 HG1 THR A 27 59.735 -4.177 14.340 1.00 0.00 H new ATOM 0 HG21 THR A 27 58.747 -1.971 14.328 1.00 0.00 H new ATOM 0 HG22 THR A 27 59.732 -0.671 13.616 1.00 0.00 H new ATOM 0 HG23 THR A 27 59.028 -1.928 12.571 1.00 0.00 H new ATOM 338 N SER A 28 60.933 -3.715 10.890 1.00 0.00 N ATOM 339 CA SER A 28 60.336 -4.054 9.596 1.00 0.00 C ATOM 340 C SER A 28 59.104 -4.925 9.793 1.00 0.00 C ATOM 341 O SER A 28 59.148 -5.931 10.502 1.00 0.00 O ATOM 342 CB SER A 28 61.355 -4.798 8.736 1.00 0.00 C ATOM 343 OG SER A 28 60.744 -5.175 7.511 1.00 0.00 O ATOM 0 H SER A 28 61.195 -4.521 11.457 1.00 0.00 H new ATOM 0 HA SER A 28 60.041 -3.132 9.095 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.220 -4.163 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.718 -5.681 9.262 1.00 0.00 H new ATOM 0 HG SER A 28 61.394 -5.652 6.954 1.00 0.00 H new ATOM 349 N ASN A 29 58.001 -4.531 9.160 1.00 0.00 N ATOM 350 CA ASN A 29 56.752 -5.282 9.269 1.00 0.00 C ATOM 351 C ASN A 29 56.631 -6.283 8.126 1.00 0.00 C ATOM 352 O ASN A 29 55.597 -6.927 7.959 1.00 0.00 O ATOM 353 CB ASN A 29 55.562 -4.320 9.234 1.00 0.00 C ATOM 354 CG ASN A 29 55.585 -3.416 10.462 1.00 0.00 C ATOM 355 OD1 ASN A 29 56.353 -3.721 11.475 1.00 0.00 O flip ATOM 356 ND2 ASN A 29 54.891 -2.401 10.500 1.00 0.00 N flip ATOM 0 H ASN A 29 57.946 -3.701 8.570 1.00 0.00 H new ATOM 0 HA ASN A 29 56.754 -5.824 10.215 1.00 0.00 H new ATOM 0 HB2 ASN A 29 55.599 -3.716 8.327 1.00 0.00 H new ATOM 0 HB3 ASN A 29 54.629 -4.883 9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 29 54.292 -2.163 9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 29 54.915 -1.797 11.322 1.00 0.00 H new ATOM 363 N ARG A 30 57.698 -6.408 7.342 1.00 0.00 N ATOM 364 CA ARG A 30 57.702 -7.338 6.218 1.00 0.00 C ATOM 365 C ARG A 30 57.584 -8.778 6.711 1.00 0.00 C ATOM 366 O ARG A 30 56.854 -9.584 6.134 1.00 0.00 O ATOM 367 CB ARG A 30 58.989 -7.175 5.406 1.00 0.00 C ATOM 368 CG ARG A 30 58.941 -8.086 4.177 1.00 0.00 C ATOM 369 CD ARG A 30 60.191 -7.862 3.327 1.00 0.00 C ATOM 370 NE ARG A 30 61.381 -8.277 4.061 1.00 0.00 N ATOM 371 CZ ARG A 30 62.596 -8.093 3.557 1.00 0.00 C ATOM 372 NH1 ARG A 30 62.740 -7.532 2.387 1.00 0.00 N ATOM 373 NH2 ARG A 30 63.647 -8.473 4.232 1.00 0.00 N ATOM 0 H ARG A 30 58.564 -5.882 7.463 1.00 0.00 H new ATOM 0 HA ARG A 30 56.844 -7.113 5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 30 59.106 -6.136 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 30 59.853 -7.424 6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 30 58.881 -9.129 4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 30 58.047 -7.876 3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 30 60.113 -8.426 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 30 60.271 -6.809 3.056 1.00 0.00 H new ATOM 0 HE ARG A 30 61.279 -8.716 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 30 61.919 -7.235 1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 30 63.673 -7.391 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 30 63.535 -8.911 5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 30 64.580 -8.332 3.845 1.00 0.00 H new ATOM 387 N ARG A 31 58.314 -9.098 7.776 1.00 0.00 N ATOM 388 CA ARG A 31 58.291 -10.444 8.329 1.00 0.00 C ATOM 389 C ARG A 31 56.891 -10.793 8.827 1.00 0.00 C ATOM 390 O ARG A 31 56.425 -11.920 8.659 1.00 0.00 O ATOM 391 CB ARG A 31 59.290 -10.554 9.483 1.00 0.00 C ATOM 392 CG ARG A 31 60.717 -10.498 8.934 1.00 0.00 C ATOM 393 CD ARG A 31 61.711 -10.592 10.092 1.00 0.00 C ATOM 394 NE ARG A 31 61.629 -9.398 10.927 1.00 0.00 N ATOM 395 CZ ARG A 31 62.279 -9.324 12.084 1.00 0.00 C ATOM 396 NH1 ARG A 31 63.003 -10.331 12.491 1.00 0.00 N ATOM 397 NH2 ARG A 31 62.189 -8.246 12.813 1.00 0.00 N ATOM 0 H ARG A 31 58.924 -8.446 8.269 1.00 0.00 H new ATOM 0 HA ARG A 31 58.570 -11.145 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 31 59.131 -9.743 10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 31 59.134 -11.487 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 31 60.881 -11.316 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 31 60.870 -9.570 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 31 61.500 -11.478 10.691 1.00 0.00 H new ATOM 0 HD3 ARG A 31 62.723 -10.704 9.703 1.00 0.00 H new ATOM 0 HE ARG A 31 61.064 -8.607 10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 31 63.070 -11.174 11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 31 63.502 -10.275 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 31 61.620 -7.461 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 31 62.687 -8.188 13.701 1.00 0.00 H new ATOM 411 N LEU A 32 56.228 -9.819 9.440 1.00 0.00 N ATOM 412 CA LEU A 32 54.884 -10.027 9.959 1.00 0.00 C ATOM 413 C LEU A 32 53.916 -10.343 8.828 1.00 0.00 C ATOM 414 O LEU A 32 52.951 -11.083 9.012 1.00 0.00 O ATOM 415 CB LEU A 32 54.411 -8.782 10.711 1.00 0.00 C ATOM 416 CG LEU A 32 55.257 -8.596 11.978 1.00 0.00 C ATOM 417 CD1 LEU A 32 54.951 -7.228 12.598 1.00 0.00 C ATOM 418 CD2 LEU A 32 54.950 -9.711 13.005 1.00 0.00 C ATOM 0 H LEU A 32 56.599 -8.881 9.589 1.00 0.00 H new ATOM 0 HA LEU A 32 54.909 -10.873 10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 54.497 -7.904 10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 32 53.358 -8.882 10.975 1.00 0.00 H new ATOM 0 HG LEU A 32 56.312 -8.652 11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 32 55.551 -7.094 13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 32 55.191 -6.442 11.882 1.00 0.00 H new ATOM 0 HD13 LEU A 32 53.893 -7.174 12.856 1.00 0.00 H new ATOM 0 HD21 LEU A 32 55.559 -9.562 13.897 1.00 0.00 H new ATOM 0 HD22 LEU A 32 53.895 -9.675 13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 32 55.179 -10.682 12.567 1.00 0.00 H new ATOM 430 N GLN A 33 54.177 -9.769 7.660 1.00 0.00 N ATOM 431 CA GLN A 33 53.316 -9.988 6.506 1.00 0.00 C ATOM 432 C GLN A 33 53.132 -11.483 6.255 1.00 0.00 C ATOM 433 O GLN A 33 52.134 -11.906 5.673 1.00 0.00 O ATOM 434 CB GLN A 33 53.932 -9.333 5.267 1.00 0.00 C ATOM 435 CG GLN A 33 52.899 -9.304 4.139 1.00 0.00 C ATOM 436 CD GLN A 33 53.525 -8.728 2.874 1.00 0.00 C ATOM 437 OE1 GLN A 33 54.662 -9.055 2.537 1.00 0.00 O ATOM 438 NE2 GLN A 33 52.845 -7.883 2.147 1.00 0.00 N ATOM 0 H GLN A 33 54.972 -9.153 7.488 1.00 0.00 H new ATOM 0 HA GLN A 33 52.343 -9.541 6.708 1.00 0.00 H new ATOM 0 HB2 GLN A 33 54.258 -8.320 5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 33 54.816 -9.887 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 33 52.531 -10.312 3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 33 52.040 -8.702 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 33 51.902 -7.612 2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 33 53.257 -7.493 1.299 1.00 0.00 H new ATOM 447 N GLN A 34 54.102 -12.276 6.700 1.00 0.00 N ATOM 448 CA GLN A 34 54.039 -13.719 6.522 1.00 0.00 C ATOM 449 C GLN A 34 52.886 -14.309 7.329 1.00 0.00 C ATOM 450 O GLN A 34 52.270 -15.291 6.917 1.00 0.00 O ATOM 451 CB GLN A 34 55.356 -14.359 6.968 1.00 0.00 C ATOM 452 CG GLN A 34 56.503 -13.826 6.106 1.00 0.00 C ATOM 453 CD GLN A 34 56.324 -14.276 4.660 1.00 0.00 C ATOM 454 OE1 GLN A 34 56.136 -15.464 4.397 1.00 0.00 O ATOM 455 NE2 GLN A 34 56.372 -13.392 3.700 1.00 0.00 N ATOM 0 H GLN A 34 54.936 -11.944 7.184 1.00 0.00 H new ATOM 0 HA GLN A 34 53.873 -13.928 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 34 55.543 -14.136 8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 34 55.294 -15.444 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 34 56.530 -12.737 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 34 57.456 -14.187 6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 34 56.528 -12.408 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 34 56.254 -13.685 2.730 1.00 0.00 H new ATOM 464 N THR A 35 52.606 -13.713 8.487 1.00 0.00 N ATOM 465 CA THR A 35 51.532 -14.203 9.337 1.00 0.00 C ATOM 466 C THR A 35 50.174 -13.807 8.761 1.00 0.00 C ATOM 467 O THR A 35 50.093 -13.083 7.769 1.00 0.00 O ATOM 468 CB THR A 35 51.691 -13.624 10.755 1.00 0.00 C ATOM 469 OG1 THR A 35 53.059 -13.314 10.983 1.00 0.00 O ATOM 470 CG2 THR A 35 51.217 -14.638 11.803 1.00 0.00 C ATOM 0 H THR A 35 53.103 -12.900 8.851 1.00 0.00 H new ATOM 0 HA THR A 35 51.585 -15.291 9.382 1.00 0.00 H new ATOM 0 HB THR A 35 51.085 -12.722 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 35 53.165 -12.943 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 35 51.336 -14.214 12.800 1.00 0.00 H new ATOM 0 HG22 THR A 35 50.167 -14.874 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 35 51.811 -15.548 11.723 1.00 0.00 H new ATOM 478 N GLN A 36 49.111 -14.285 9.398 1.00 0.00 N ATOM 479 CA GLN A 36 47.751 -13.978 8.956 1.00 0.00 C ATOM 480 C GLN A 36 47.210 -12.759 9.694 1.00 0.00 C ATOM 481 O GLN A 36 46.193 -12.187 9.301 1.00 0.00 O ATOM 482 CB GLN A 36 46.839 -15.179 9.212 1.00 0.00 C ATOM 483 CG GLN A 36 47.263 -16.341 8.312 1.00 0.00 C ATOM 484 CD GLN A 36 46.427 -17.577 8.628 1.00 0.00 C ATOM 485 OE1 GLN A 36 45.486 -17.505 9.419 1.00 0.00 O ATOM 486 NE2 GLN A 36 46.721 -18.714 8.059 1.00 0.00 N ATOM 0 H GLN A 36 49.162 -14.886 10.221 1.00 0.00 H new ATOM 0 HA GLN A 36 47.775 -13.759 7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 36 46.896 -15.476 10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 36 45.801 -14.911 9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 36 47.138 -16.065 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 36 48.321 -16.559 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 36 47.501 -18.770 7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 36 46.171 -19.547 8.269 1.00 0.00 H new ATOM 495 N ALA A 37 47.891 -12.366 10.767 1.00 0.00 N ATOM 496 CA ALA A 37 47.461 -11.215 11.550 1.00 0.00 C ATOM 497 C ALA A 37 47.451 -9.955 10.691 1.00 0.00 C ATOM 498 O ALA A 37 46.532 -9.140 10.777 1.00 0.00 O ATOM 499 CB ALA A 37 48.400 -11.012 12.740 1.00 0.00 C ATOM 0 H ALA A 37 48.735 -12.824 11.111 1.00 0.00 H new ATOM 0 HA ALA A 37 46.450 -11.404 11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 37 48.071 -10.150 13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 37 48.385 -11.901 13.371 1.00 0.00 H new ATOM 0 HB3 ALA A 37 49.414 -10.841 12.378 1.00 0.00 H new ATOM 505 N GLN A 38 48.478 -9.803 9.862 1.00 0.00 N ATOM 506 CA GLN A 38 48.576 -8.638 8.991 1.00 0.00 C ATOM 507 C GLN A 38 47.591 -8.751 7.833 1.00 0.00 C ATOM 508 O GLN A 38 47.120 -7.743 7.307 1.00 0.00 O ATOM 509 CB GLN A 38 50.000 -8.508 8.446 1.00 0.00 C ATOM 510 CG GLN A 38 50.155 -7.178 7.702 1.00 0.00 C ATOM 511 CD GLN A 38 50.051 -6.017 8.685 1.00 0.00 C ATOM 512 OE1 GLN A 38 50.501 -6.128 9.825 1.00 0.00 O ATOM 513 NE2 GLN A 38 49.484 -4.904 8.310 1.00 0.00 N ATOM 0 H GLN A 38 49.248 -10.466 9.775 1.00 0.00 H new ATOM 0 HA GLN A 38 48.331 -7.750 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 38 50.718 -8.563 9.264 1.00 0.00 H new ATOM 0 HB3 GLN A 38 50.219 -9.338 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 38 51.117 -7.148 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.384 -7.088 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.112 -4.815 7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 38 49.413 -4.123 8.962 1.00 0.00 H new ATOM 522 N VAL A 39 47.290 -9.983 7.437 1.00 0.00 N ATOM 523 CA VAL A 39 46.367 -10.217 6.334 1.00 0.00 C ATOM 524 C VAL A 39 44.983 -9.667 6.670 1.00 0.00 C ATOM 525 O VAL A 39 44.337 -9.033 5.835 1.00 0.00 O ATOM 526 CB VAL A 39 46.267 -11.714 6.042 1.00 0.00 C ATOM 527 CG1 VAL A 39 45.230 -11.954 4.944 1.00 0.00 C ATOM 528 CG2 VAL A 39 47.630 -12.236 5.579 1.00 0.00 C ATOM 0 H VAL A 39 47.669 -10.830 7.861 1.00 0.00 H new ATOM 0 HA VAL A 39 46.747 -9.702 5.452 1.00 0.00 H new ATOM 0 HB VAL A 39 45.964 -12.240 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 39 45.160 -13.022 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 39 44.259 -11.584 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 39 45.531 -11.428 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 39 47.559 -13.304 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 39 47.933 -11.709 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 39 48.369 -12.067 6.362 1.00 0.00 H new ATOM 538 N ASP A 40 44.538 -9.918 7.894 1.00 0.00 N ATOM 539 CA ASP A 40 43.229 -9.448 8.333 1.00 0.00 C ATOM 540 C ASP A 40 43.162 -7.925 8.274 1.00 0.00 C ATOM 541 O ASP A 40 42.113 -7.353 7.982 1.00 0.00 O ATOM 542 CB ASP A 40 42.958 -9.914 9.766 1.00 0.00 C ATOM 543 CG ASP A 40 41.509 -9.626 10.142 1.00 0.00 C ATOM 544 OD1 ASP A 40 40.832 -8.977 9.363 1.00 0.00 O ATOM 545 OD2 ASP A 40 41.097 -10.061 11.205 1.00 0.00 O ATOM 0 H ASP A 40 45.060 -10.441 8.597 1.00 0.00 H new ATOM 0 HA ASP A 40 42.473 -9.863 7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 40 43.160 -10.981 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 40 43.630 -9.404 10.456 1.00 0.00 H new ATOM 550 N GLU A 41 44.284 -7.274 8.558 1.00 0.00 N ATOM 551 CA GLU A 41 44.339 -5.817 8.534 1.00 0.00 C ATOM 552 C GLU A 41 44.120 -5.292 7.116 1.00 0.00 C ATOM 553 O GLU A 41 43.531 -4.227 6.923 1.00 0.00 O ATOM 554 CB GLU A 41 45.698 -5.340 9.049 1.00 0.00 C ATOM 555 CG GLU A 41 45.865 -5.758 10.511 1.00 0.00 C ATOM 556 CD GLU A 41 44.871 -5.005 11.388 1.00 0.00 C ATOM 557 OE1 GLU A 41 44.374 -3.983 10.945 1.00 0.00 O ATOM 558 OE2 GLU A 41 44.619 -5.463 12.492 1.00 0.00 O ATOM 0 H GLU A 41 45.163 -7.728 8.806 1.00 0.00 H new ATOM 0 HA GLU A 41 43.548 -5.432 9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 41 46.498 -5.767 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 41 45.773 -4.256 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 41 45.709 -6.832 10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 41 46.883 -5.552 10.842 1.00 0.00 H new ATOM 565 N VAL A 42 44.598 -6.043 6.131 1.00 0.00 N ATOM 566 CA VAL A 42 44.451 -5.640 4.738 1.00 0.00 C ATOM 567 C VAL A 42 42.976 -5.585 4.348 1.00 0.00 C ATOM 568 O VAL A 42 42.625 -5.128 3.261 1.00 0.00 O ATOM 569 CB VAL A 42 45.187 -6.627 3.827 1.00 0.00 C ATOM 570 CG1 VAL A 42 44.963 -6.246 2.358 1.00 0.00 C ATOM 571 CG2 VAL A 42 46.685 -6.585 4.140 1.00 0.00 C ATOM 0 H VAL A 42 45.087 -6.927 6.269 1.00 0.00 H new ATOM 0 HA VAL A 42 44.883 -4.646 4.620 1.00 0.00 H new ATOM 0 HB VAL A 42 44.803 -7.632 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 42 45.489 -6.952 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 42 43.897 -6.275 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 42 45.344 -5.240 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 42 47.212 -7.287 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 42 47.065 -5.578 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 42 46.847 -6.861 5.182 1.00 0.00 H new ATOM 581 N VAL A 43 42.113 -6.051 5.242 1.00 0.00 N ATOM 582 CA VAL A 43 40.680 -6.050 4.971 1.00 0.00 C ATOM 583 C VAL A 43 40.179 -4.632 4.738 1.00 0.00 C ATOM 584 O VAL A 43 39.431 -4.368 3.798 1.00 0.00 O ATOM 585 CB VAL A 43 39.933 -6.666 6.154 1.00 0.00 C ATOM 586 CG1 VAL A 43 40.001 -5.735 7.369 1.00 0.00 C ATOM 587 CG2 VAL A 43 38.469 -6.905 5.770 1.00 0.00 C ATOM 0 H VAL A 43 42.376 -6.431 6.152 1.00 0.00 H new ATOM 0 HA VAL A 43 40.496 -6.639 4.072 1.00 0.00 H new ATOM 0 HB VAL A 43 40.402 -7.616 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 43 39.465 -6.186 8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 43 41.043 -5.578 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 43 39.544 -4.777 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 43 37.938 -7.344 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 38.003 -5.956 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 43 38.422 -7.585 4.919 1.00 0.00 H new ATOM 597 N ASP A 44 40.597 -3.727 5.608 1.00 0.00 N ATOM 598 CA ASP A 44 40.186 -2.327 5.497 1.00 0.00 C ATOM 599 C ASP A 44 40.709 -1.719 4.198 1.00 0.00 C ATOM 600 O ASP A 44 39.991 -0.994 3.507 1.00 0.00 O ATOM 601 CB ASP A 44 40.714 -1.524 6.690 1.00 0.00 C ATOM 602 CG ASP A 44 39.959 -1.914 7.955 1.00 0.00 C ATOM 603 OD1 ASP A 44 38.916 -2.534 7.831 1.00 0.00 O ATOM 604 OD2 ASP A 44 40.435 -1.589 9.030 1.00 0.00 O ATOM 0 H ASP A 44 41.215 -3.929 6.394 1.00 0.00 H new ATOM 0 HA ASP A 44 39.097 -2.288 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 44 41.780 -1.710 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 44 40.597 -0.457 6.501 1.00 0.00 H new ATOM 609 N ILE A 45 41.961 -2.014 3.876 1.00 0.00 N ATOM 610 CA ILE A 45 42.576 -1.494 2.658 1.00 0.00 C ATOM 611 C ILE A 45 41.879 -2.050 1.426 1.00 0.00 C ATOM 612 O ILE A 45 41.612 -1.322 0.473 1.00 0.00 O ATOM 613 CB ILE A 45 44.062 -1.862 2.621 1.00 0.00 C ATOM 614 CG1 ILE A 45 44.730 -1.434 3.935 1.00 0.00 C ATOM 615 CG2 ILE A 45 44.741 -1.149 1.451 1.00 0.00 C ATOM 616 CD1 ILE A 45 44.466 0.053 4.217 1.00 0.00 C ATOM 0 H ILE A 45 42.571 -2.608 4.438 1.00 0.00 H new ATOM 0 HA ILE A 45 42.473 -0.409 2.658 1.00 0.00 H new ATOM 0 HB ILE A 45 44.162 -2.940 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 45 44.348 -2.039 4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 45 45.804 -1.614 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 45 45.798 -1.413 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 45 44.270 -1.454 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 45 44.639 -0.071 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 45 44.948 0.337 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 44.870 0.655 3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 45 43.392 0.223 4.295 1.00 0.00 H new ATOM 628 N MET A 46 41.591 -3.344 1.452 1.00 0.00 N ATOM 629 CA MET A 46 40.929 -3.987 0.325 1.00 0.00 C ATOM 630 C MET A 46 39.671 -3.220 -0.062 1.00 0.00 C ATOM 631 O MET A 46 39.410 -2.993 -1.244 1.00 0.00 O ATOM 632 CB MET A 46 40.559 -5.426 0.694 1.00 0.00 C ATOM 633 CG MET A 46 39.918 -6.115 -0.513 1.00 0.00 C ATOM 634 SD MET A 46 39.632 -7.861 -0.133 1.00 0.00 S ATOM 635 CE MET A 46 37.982 -7.672 0.585 1.00 0.00 C ATOM 0 H MET A 46 41.803 -3.965 2.233 1.00 0.00 H new ATOM 0 HA MET A 46 41.613 -3.993 -0.524 1.00 0.00 H new ATOM 0 HB2 MET A 46 41.449 -5.972 1.008 1.00 0.00 H new ATOM 0 HB3 MET A 46 39.869 -5.430 1.537 1.00 0.00 H new ATOM 0 HG2 MET A 46 38.976 -5.628 -0.765 1.00 0.00 H new ATOM 0 HG3 MET A 46 40.567 -6.023 -1.384 1.00 0.00 H new ATOM 0 HE1 MET A 46 37.606 -8.647 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 46 38.035 -7.012 1.451 1.00 0.00 H new ATOM 0 HE3 MET A 46 37.309 -7.243 -0.157 1.00 0.00 H new ATOM 645 N ARG A 47 38.896 -2.816 0.938 1.00 0.00 N ATOM 646 CA ARG A 47 37.669 -2.070 0.686 1.00 0.00 C ATOM 647 C ARG A 47 37.980 -0.754 -0.022 1.00 0.00 C ATOM 648 O ARG A 47 37.286 -0.364 -0.961 1.00 0.00 O ATOM 649 CB ARG A 47 36.949 -1.788 2.007 1.00 0.00 C ATOM 650 CG ARG A 47 35.619 -1.086 1.725 1.00 0.00 C ATOM 651 CD ARG A 47 34.863 -0.874 3.038 1.00 0.00 C ATOM 652 NE ARG A 47 35.580 0.069 3.887 1.00 0.00 N ATOM 653 CZ ARG A 47 35.145 0.359 5.110 1.00 0.00 C ATOM 654 NH1 ARG A 47 34.061 -0.205 5.567 1.00 0.00 N ATOM 655 NH2 ARG A 47 35.805 1.205 5.853 1.00 0.00 N ATOM 0 H ARG A 47 39.093 -2.991 1.923 1.00 0.00 H new ATOM 0 HA ARG A 47 37.024 -2.670 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 47 36.773 -2.720 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 47 37.573 -1.164 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 47 35.798 -0.128 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 47 35.018 -1.684 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 47 33.860 -0.499 2.832 1.00 0.00 H new ATOM 0 HD3 ARG A 47 34.747 -1.826 3.557 1.00 0.00 H new ATOM 0 HE ARG A 47 36.429 0.514 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 47 33.547 -0.868 4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 47 33.727 0.017 6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 36.654 1.643 5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 47 35.472 1.428 6.791 1.00 0.00 H new ATOM 669 N VAL A 48 39.024 -0.073 0.435 1.00 0.00 N ATOM 670 CA VAL A 48 39.417 1.195 -0.157 1.00 0.00 C ATOM 671 C VAL A 48 39.906 0.992 -1.588 1.00 0.00 C ATOM 672 O VAL A 48 39.573 1.769 -2.482 1.00 0.00 O ATOM 673 CB VAL A 48 40.520 1.849 0.679 1.00 0.00 C ATOM 674 CG1 VAL A 48 40.975 3.146 0.008 1.00 0.00 C ATOM 675 CG2 VAL A 48 39.986 2.158 2.080 1.00 0.00 C ATOM 0 H VAL A 48 39.611 -0.378 1.211 1.00 0.00 H new ATOM 0 HA VAL A 48 38.545 1.849 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 48 41.366 1.166 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 48 41.760 3.609 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 48 41.360 2.925 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.130 3.830 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 48 40.772 2.624 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 48 39.137 2.838 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 48 39.668 1.233 2.560 1.00 0.00 H new ATOM 685 N ASN A 49 40.701 -0.050 -1.791 1.00 0.00 N ATOM 686 CA ASN A 49 41.237 -0.339 -3.117 1.00 0.00 C ATOM 687 C ASN A 49 40.098 -0.528 -4.112 1.00 0.00 C ATOM 688 O ASN A 49 40.168 -0.051 -5.245 1.00 0.00 O ATOM 689 CB ASN A 49 42.090 -1.610 -3.067 1.00 0.00 C ATOM 690 CG ASN A 49 42.634 -1.928 -4.456 1.00 0.00 C ATOM 691 OD1 ASN A 49 41.990 -2.636 -5.228 1.00 0.00 O ATOM 692 ND2 ASN A 49 43.790 -1.443 -4.819 1.00 0.00 N ATOM 0 H ASN A 49 40.988 -0.704 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 49 41.856 0.499 -3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 49 42.914 -1.477 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 49 41.492 -2.445 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 49 44.162 -1.651 -5.746 1.00 0.00 H new ATOM 0 HD22 ASN A 49 44.321 -0.856 -4.176 1.00 0.00 H new ATOM 699 N VAL A 50 39.050 -1.219 -3.682 1.00 0.00 N ATOM 700 CA VAL A 50 37.897 -1.457 -4.545 1.00 0.00 C ATOM 701 C VAL A 50 37.209 -0.147 -4.898 1.00 0.00 C ATOM 702 O VAL A 50 36.830 0.081 -6.044 1.00 0.00 O ATOM 703 CB VAL A 50 36.906 -2.400 -3.853 1.00 0.00 C ATOM 704 CG1 VAL A 50 35.625 -2.503 -4.688 1.00 0.00 C ATOM 705 CG2 VAL A 50 37.537 -3.791 -3.712 1.00 0.00 C ATOM 0 H VAL A 50 38.973 -1.622 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 50 38.248 -1.922 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 50 36.664 -2.008 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 50 34.922 -3.174 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 50 35.175 -1.515 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 50 35.866 -2.893 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 50 36.833 -4.462 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.781 -4.182 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 50 38.447 -3.719 -3.116 1.00 0.00 H new ATOM 715 N ASP A 51 37.053 0.703 -3.903 1.00 0.00 N ATOM 716 CA ASP A 51 36.404 1.995 -4.106 1.00 0.00 C ATOM 717 C ASP A 51 37.210 2.859 -5.072 1.00 0.00 C ATOM 718 O ASP A 51 36.646 3.638 -5.841 1.00 0.00 O ATOM 719 CB ASP A 51 36.251 2.727 -2.770 1.00 0.00 C ATOM 720 CG ASP A 51 35.622 4.100 -2.995 1.00 0.00 C ATOM 721 OD1 ASP A 51 34.513 4.146 -3.505 1.00 0.00 O ATOM 722 OD2 ASP A 51 36.256 5.085 -2.655 1.00 0.00 O ATOM 0 H ASP A 51 37.363 0.529 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 51 35.418 1.815 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 51 35.630 2.140 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 51 37.225 2.838 -2.293 1.00 0.00 H new ATOM 727 N LYS A 52 38.529 2.715 -5.024 1.00 0.00 N ATOM 728 CA LYS A 52 39.407 3.485 -5.892 1.00 0.00 C ATOM 729 C LYS A 52 39.178 3.104 -7.347 1.00 0.00 C ATOM 730 O LYS A 52 39.292 3.941 -8.244 1.00 0.00 O ATOM 731 CB LYS A 52 40.868 3.236 -5.512 1.00 0.00 C ATOM 732 CG LYS A 52 41.773 4.155 -6.336 1.00 0.00 C ATOM 733 CD LYS A 52 43.230 3.942 -5.920 1.00 0.00 C ATOM 734 CE LYS A 52 44.133 4.871 -6.734 1.00 0.00 C ATOM 735 NZ LYS A 52 43.813 6.290 -6.406 1.00 0.00 N ATOM 0 H LYS A 52 39.012 2.074 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 52 39.181 4.544 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 52 41.015 3.422 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 52 41.129 2.193 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 52 41.652 3.944 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 52 41.488 5.196 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 52 43.349 4.143 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 52 43.518 2.903 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 52 45.180 4.663 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 52 43.990 4.692 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 44.606 6.899 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 42.954 6.579 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 43.656 6.383 -5.382 1.00 0.00 H new ATOM 749 N VAL A 53 38.867 1.833 -7.580 1.00 0.00 N ATOM 750 CA VAL A 53 38.641 1.355 -8.935 1.00 0.00 C ATOM 751 C VAL A 53 37.468 2.092 -9.572 1.00 0.00 C ATOM 752 O VAL A 53 37.552 2.552 -10.709 1.00 0.00 O ATOM 753 CB VAL A 53 38.354 -0.151 -8.916 1.00 0.00 C ATOM 754 CG1 VAL A 53 37.987 -0.627 -10.325 1.00 0.00 C ATOM 755 CG2 VAL A 53 39.600 -0.898 -8.434 1.00 0.00 C ATOM 0 H VAL A 53 38.767 1.123 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 53 39.538 1.546 -9.524 1.00 0.00 H new ATOM 0 HB VAL A 53 37.522 -0.352 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 53 37.784 -1.698 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 53 37.100 -0.096 -10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 53 38.816 -0.427 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 53 39.399 -1.969 -8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 53 40.431 -0.694 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 53 39.859 -0.564 -7.429 1.00 0.00 H new ATOM 765 N LEU A 54 36.374 2.197 -8.831 1.00 0.00 N ATOM 766 CA LEU A 54 35.185 2.878 -9.329 1.00 0.00 C ATOM 767 C LEU A 54 35.469 4.354 -9.562 1.00 0.00 C ATOM 768 O LEU A 54 34.975 4.950 -10.519 1.00 0.00 O ATOM 769 CB LEU A 54 34.032 2.711 -8.330 1.00 0.00 C ATOM 770 CG LEU A 54 33.386 1.326 -8.511 1.00 0.00 C ATOM 771 CD1 LEU A 54 32.635 1.243 -9.863 1.00 0.00 C ATOM 772 CD2 LEU A 54 34.482 0.248 -8.458 1.00 0.00 C ATOM 0 H LEU A 54 36.284 1.822 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 54 34.900 2.430 -10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 54 34.402 2.820 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 54 33.288 3.493 -8.484 1.00 0.00 H new ATOM 0 HG LEU A 54 32.666 1.164 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.186 0.255 -9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 54 31.853 2.002 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 54 33.336 1.413 -10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 54 34.031 -0.736 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 54 35.203 0.423 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 54 34.990 0.292 -7.494 1.00 0.00 H new ATOM 784 N GLU A 55 36.253 4.935 -8.674 1.00 0.00 N ATOM 785 CA GLU A 55 36.587 6.347 -8.779 1.00 0.00 C ATOM 786 C GLU A 55 37.271 6.634 -10.109 1.00 0.00 C ATOM 787 O GLU A 55 36.927 7.593 -10.800 1.00 0.00 O ATOM 788 CB GLU A 55 37.511 6.753 -7.630 1.00 0.00 C ATOM 789 CG GLU A 55 37.738 8.265 -7.668 1.00 0.00 C ATOM 790 CD GLU A 55 38.616 8.690 -6.496 1.00 0.00 C ATOM 791 OE1 GLU A 55 39.222 7.823 -5.890 1.00 0.00 O ATOM 792 OE2 GLU A 55 38.666 9.877 -6.217 1.00 0.00 O ATOM 0 H GLU A 55 36.670 4.457 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 55 35.665 6.925 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.070 6.465 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 55 38.463 6.229 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 55 38.211 8.546 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 55 36.782 8.786 -7.624 1.00 0.00 H new ATOM 799 N ARG A 56 38.240 5.796 -10.469 1.00 0.00 N ATOM 800 CA ARG A 56 38.973 5.966 -11.726 1.00 0.00 C ATOM 801 C ARG A 56 38.405 5.056 -12.806 1.00 0.00 C ATOM 802 O ARG A 56 38.102 3.892 -12.555 1.00 0.00 O ATOM 803 CB ARG A 56 40.452 5.642 -11.506 1.00 0.00 C ATOM 804 CG ARG A 56 41.056 6.607 -10.472 1.00 0.00 C ATOM 805 CD ARG A 56 41.410 7.944 -11.135 1.00 0.00 C ATOM 806 NE ARG A 56 42.114 8.800 -10.191 1.00 0.00 N ATOM 807 CZ ARG A 56 41.458 9.642 -9.398 1.00 0.00 C ATOM 808 NH1 ARG A 56 40.154 9.704 -9.444 1.00 0.00 N ATOM 809 NH2 ARG A 56 42.118 10.402 -8.571 1.00 0.00 N ATOM 0 H ARG A 56 38.537 4.995 -9.912 1.00 0.00 H new ATOM 0 HA ARG A 56 38.869 7.001 -12.053 1.00 0.00 H new ATOM 0 HB2 ARG A 56 40.560 4.613 -11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 56 40.994 5.721 -12.449 1.00 0.00 H new ATOM 0 HG2 ARG A 56 40.347 6.772 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 56 41.949 6.165 -10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 56 42.032 7.770 -12.013 1.00 0.00 H new ATOM 0 HD3 ARG A 56 40.502 8.439 -11.480 1.00 0.00 H new ATOM 0 HE ARG A 56 43.131 8.753 -10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 56 39.637 9.106 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 56 39.652 10.350 -8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 56 43.136 10.350 -8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 56 41.617 11.049 -7.962 1.00 0.00 H new ATOM 823 N ASP A 57 38.265 5.599 -14.008 1.00 0.00 N ATOM 824 CA ASP A 57 37.733 4.831 -15.124 1.00 0.00 C ATOM 825 C ASP A 57 37.914 5.596 -16.428 1.00 0.00 C ATOM 826 O ASP A 57 37.557 6.770 -16.525 1.00 0.00 O ATOM 827 CB ASP A 57 36.251 4.536 -14.893 1.00 0.00 C ATOM 828 CG ASP A 57 35.718 3.650 -16.013 1.00 0.00 C ATOM 829 OD1 ASP A 57 36.438 3.454 -16.978 1.00 0.00 O ATOM 830 OD2 ASP A 57 34.598 3.186 -15.890 1.00 0.00 O ATOM 0 H ASP A 57 38.511 6.563 -14.234 1.00 0.00 H new ATOM 0 HA ASP A 57 38.278 3.890 -15.193 1.00 0.00 H new ATOM 0 HB2 ASP A 57 36.115 4.042 -13.931 1.00 0.00 H new ATOM 0 HB3 ASP A 57 35.687 5.468 -14.855 1.00 0.00 H new ATOM 835 N GLN A 58 38.472 4.926 -17.431 1.00 0.00 N ATOM 836 CA GLN A 58 38.701 5.552 -18.728 1.00 0.00 C ATOM 837 C GLN A 58 39.202 6.987 -18.557 1.00 0.00 C ATOM 838 O GLN A 58 39.644 7.379 -17.478 1.00 0.00 O ATOM 839 CB GLN A 58 37.390 5.532 -19.552 1.00 0.00 C ATOM 840 CG GLN A 58 37.619 4.848 -20.905 1.00 0.00 C ATOM 841 CD GLN A 58 38.633 5.650 -21.716 1.00 0.00 C ATOM 842 OE1 GLN A 58 38.400 6.823 -22.017 1.00 0.00 O ATOM 843 NE2 GLN A 58 39.755 5.093 -22.078 1.00 0.00 N ATOM 0 H GLN A 58 38.773 3.953 -17.371 1.00 0.00 H new ATOM 0 HA GLN A 58 39.468 4.989 -19.260 1.00 0.00 H new ATOM 0 HB2 GLN A 58 36.613 5.005 -18.998 1.00 0.00 H new ATOM 0 HB3 GLN A 58 37.035 6.551 -19.708 1.00 0.00 H new ATOM 0 HG2 GLN A 58 37.981 3.831 -20.754 1.00 0.00 H new ATOM 0 HG3 GLN A 58 36.678 4.773 -21.451 1.00 0.00 H new ATOM 0 HE21 GLN A 58 39.947 4.123 -21.828 1.00 0.00 H new ATOM 0 HE22 GLN A 58 40.441 5.628 -22.611 1.00 0.00 H new ATOM 852 N LYS A 59 39.123 7.756 -19.636 1.00 0.00 N ATOM 853 CA LYS A 59 39.564 9.141 -19.605 1.00 0.00 C ATOM 854 C LYS A 59 40.999 9.232 -19.111 1.00 0.00 C ATOM 855 O LYS A 59 41.461 10.299 -18.706 1.00 0.00 O ATOM 856 CB LYS A 59 38.648 9.955 -18.688 1.00 0.00 C ATOM 857 CG LYS A 59 37.265 10.083 -19.329 1.00 0.00 C ATOM 858 CD LYS A 59 36.357 10.915 -18.422 1.00 0.00 C ATOM 859 CE LYS A 59 34.990 11.091 -19.088 1.00 0.00 C ATOM 860 NZ LYS A 59 34.487 9.764 -19.545 1.00 0.00 N ATOM 0 H LYS A 59 38.760 7.445 -20.537 1.00 0.00 H new ATOM 0 HA LYS A 59 39.517 9.545 -20.616 1.00 0.00 H new ATOM 0 HB2 LYS A 59 38.566 9.470 -17.715 1.00 0.00 H new ATOM 0 HB3 LYS A 59 39.074 10.944 -18.516 1.00 0.00 H new ATOM 0 HG2 LYS A 59 37.349 10.554 -20.308 1.00 0.00 H new ATOM 0 HG3 LYS A 59 36.833 9.095 -19.486 1.00 0.00 H new ATOM 0 HD2 LYS A 59 36.242 10.423 -17.456 1.00 0.00 H new ATOM 0 HD3 LYS A 59 36.809 11.889 -18.232 1.00 0.00 H new ATOM 0 HE2 LYS A 59 34.286 11.537 -18.386 1.00 0.00 H new ATOM 0 HE3 LYS A 59 35.071 11.773 -19.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 33.457 9.811 -19.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 34.943 9.511 -20.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 34.709 9.043 -18.829 1.00 0.00 H new ATOM 874 N LEU A 60 41.701 8.104 -19.143 1.00 0.00 N ATOM 875 CA LEU A 60 43.081 8.073 -18.692 1.00 0.00 C ATOM 876 C LEU A 60 43.948 8.972 -19.566 1.00 0.00 C ATOM 877 O LEU A 60 44.808 9.697 -19.066 1.00 0.00 O ATOM 878 CB LEU A 60 43.619 6.636 -18.737 1.00 0.00 C ATOM 879 CG LEU A 60 45.105 6.615 -18.336 1.00 0.00 C ATOM 880 CD1 LEU A 60 45.282 7.245 -16.943 1.00 0.00 C ATOM 881 CD2 LEU A 60 45.602 5.168 -18.316 1.00 0.00 C ATOM 0 H LEU A 60 41.339 7.210 -19.474 1.00 0.00 H new ATOM 0 HA LEU A 60 43.116 8.438 -17.666 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.043 6.003 -18.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 43.499 6.226 -19.740 1.00 0.00 H new ATOM 0 HG LEU A 60 45.683 7.190 -19.059 1.00 0.00 H new ATOM 0 HD11 LEU A 60 46.336 7.226 -16.667 1.00 0.00 H new ATOM 0 HD12 LEU A 60 44.930 8.276 -16.963 1.00 0.00 H new ATOM 0 HD13 LEU A 60 44.705 6.679 -16.212 1.00 0.00 H new ATOM 0 HD21 LEU A 60 46.654 5.149 -18.032 1.00 0.00 H new ATOM 0 HD22 LEU A 60 45.021 4.594 -17.594 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.485 4.729 -19.307 1.00 0.00 H new ATOM 893 N SER A 61 43.720 8.913 -20.872 1.00 0.00 N ATOM 894 CA SER A 61 44.491 9.718 -21.809 1.00 0.00 C ATOM 895 C SER A 61 43.945 9.567 -23.225 1.00 0.00 C ATOM 896 O SER A 61 43.329 10.488 -23.761 1.00 0.00 O ATOM 897 CB SER A 61 45.963 9.291 -21.782 1.00 0.00 C ATOM 898 OG SER A 61 46.562 9.601 -23.033 1.00 0.00 O ATOM 0 H SER A 61 43.012 8.320 -21.304 1.00 0.00 H new ATOM 0 HA SER A 61 44.409 10.763 -21.509 1.00 0.00 H new ATOM 0 HB2 SER A 61 46.488 9.804 -20.977 1.00 0.00 H new ATOM 0 HB3 SER A 61 46.041 8.222 -21.583 1.00 0.00 H new ATOM 0 HG SER A 61 47.504 9.331 -23.020 1.00 0.00 H new ATOM 904 N GLU A 62 44.172 8.402 -23.824 1.00 0.00 N ATOM 905 CA GLU A 62 43.696 8.148 -25.174 1.00 0.00 C ATOM 906 C GLU A 62 43.915 6.689 -25.553 1.00 0.00 C ATOM 907 O GLU A 62 43.097 5.829 -25.233 1.00 0.00 O ATOM 908 CB GLU A 62 44.421 9.061 -26.166 1.00 0.00 C ATOM 909 CG GLU A 62 43.851 8.849 -27.574 1.00 0.00 C ATOM 910 CD GLU A 62 44.528 9.794 -28.557 1.00 0.00 C ATOM 911 OE1 GLU A 62 45.160 10.733 -28.104 1.00 0.00 O ATOM 912 OE2 GLU A 62 44.403 9.564 -29.748 1.00 0.00 O ATOM 0 H GLU A 62 44.679 7.626 -23.398 1.00 0.00 H new ATOM 0 HA GLU A 62 42.627 8.359 -25.210 1.00 0.00 H new ATOM 0 HB2 GLU A 62 44.304 10.103 -25.869 1.00 0.00 H new ATOM 0 HB3 GLU A 62 45.490 8.846 -26.159 1.00 0.00 H new ATOM 0 HG2 GLU A 62 44.004 7.816 -27.886 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.775 9.025 -27.570 1.00 0.00 H new ATOM 919 N LEU A 63 45.024 6.416 -26.236 1.00 0.00 N ATOM 920 CA LEU A 63 45.343 5.057 -26.655 1.00 0.00 C ATOM 921 C LEU A 63 44.097 4.326 -27.121 1.00 0.00 C ATOM 922 O LEU A 63 44.035 3.100 -27.082 1.00 0.00 O ATOM 923 CB LEU A 63 45.993 4.296 -25.494 1.00 0.00 C ATOM 924 CG LEU A 63 47.467 4.709 -25.358 1.00 0.00 C ATOM 925 CD1 LEU A 63 48.292 4.177 -26.556 1.00 0.00 C ATOM 926 CD2 LEU A 63 47.566 6.242 -25.297 1.00 0.00 C ATOM 0 H LEU A 63 45.714 7.116 -26.509 1.00 0.00 H new ATOM 0 HA LEU A 63 46.041 5.109 -27.491 1.00 0.00 H new ATOM 0 HB2 LEU A 63 45.460 4.506 -24.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 45.922 3.222 -25.666 1.00 0.00 H new ATOM 0 HG LEU A 63 47.871 4.280 -24.441 1.00 0.00 H new ATOM 0 HD11 LEU A 63 49.333 4.479 -26.443 1.00 0.00 H new ATOM 0 HD12 LEU A 63 48.231 3.089 -26.586 1.00 0.00 H new ATOM 0 HD13 LEU A 63 47.893 4.588 -27.483 1.00 0.00 H new ATOM 0 HD21 LEU A 63 48.611 6.536 -25.201 1.00 0.00 H new ATOM 0 HD22 LEU A 63 47.152 6.670 -26.210 1.00 0.00 H new ATOM 0 HD23 LEU A 63 47.005 6.609 -24.437 1.00 0.00 H new ATOM 938 N ASP A 64 43.106 5.091 -27.564 1.00 0.00 N ATOM 939 CA ASP A 64 41.855 4.512 -28.041 1.00 0.00 C ATOM 940 C ASP A 64 41.385 5.217 -29.307 1.00 0.00 C ATOM 941 O ASP A 64 41.731 4.812 -30.417 1.00 0.00 O ATOM 942 CB ASP A 64 40.789 4.634 -26.951 1.00 0.00 C ATOM 943 CG ASP A 64 39.480 4.023 -27.438 1.00 0.00 C ATOM 944 OD1 ASP A 64 39.420 3.648 -28.598 1.00 0.00 O ATOM 945 OD2 ASP A 64 38.557 3.940 -26.646 1.00 0.00 O ATOM 0 H ASP A 64 43.144 6.110 -27.603 1.00 0.00 H new ATOM 0 HA ASP A 64 42.021 3.460 -28.275 1.00 0.00 H new ATOM 0 HB2 ASP A 64 41.122 4.128 -26.045 1.00 0.00 H new ATOM 0 HB3 ASP A 64 40.638 5.682 -26.693 1.00 0.00 H new ATOM 950 N ASP A 65 40.593 6.269 -29.136 1.00 0.00 N ATOM 951 CA ASP A 65 40.077 7.016 -30.273 1.00 0.00 C ATOM 952 C ASP A 65 41.173 7.877 -30.889 1.00 0.00 C ATOM 953 O ASP A 65 42.056 8.372 -30.189 1.00 0.00 O ATOM 954 CB ASP A 65 38.914 7.904 -29.825 1.00 0.00 C ATOM 955 CG ASP A 65 39.402 8.935 -28.814 1.00 0.00 C ATOM 956 OD1 ASP A 65 40.556 8.858 -28.427 1.00 0.00 O ATOM 957 OD2 ASP A 65 38.615 9.790 -28.442 1.00 0.00 O ATOM 0 H ASP A 65 40.296 6.621 -28.226 1.00 0.00 H new ATOM 0 HA ASP A 65 39.725 6.308 -31.024 1.00 0.00 H new ATOM 0 HB2 ASP A 65 38.477 8.407 -30.688 1.00 0.00 H new ATOM 0 HB3 ASP A 65 38.129 7.292 -29.382 1.00 0.00 H new ATOM 962 N ARG A 66 41.109 8.053 -32.204 1.00 0.00 N ATOM 963 CA ARG A 66 42.101 8.859 -32.905 1.00 0.00 C ATOM 964 C ARG A 66 41.780 10.341 -32.757 1.00 0.00 C ATOM 965 O ARG A 66 40.618 10.744 -32.819 1.00 0.00 O ATOM 966 CB ARG A 66 42.125 8.481 -34.389 1.00 0.00 C ATOM 967 CG ARG A 66 40.748 8.735 -35.009 1.00 0.00 C ATOM 968 CD ARG A 66 40.760 8.301 -36.473 1.00 0.00 C ATOM 969 NE ARG A 66 39.471 8.588 -37.092 1.00 0.00 N ATOM 970 CZ ARG A 66 39.126 8.036 -38.250 1.00 0.00 C ATOM 971 NH1 ARG A 66 39.949 7.222 -38.854 1.00 0.00 N ATOM 972 NH2 ARG A 66 37.969 8.308 -38.784 1.00 0.00 N ATOM 0 H ARG A 66 40.387 7.652 -32.802 1.00 0.00 H new ATOM 0 HA ARG A 66 43.080 8.665 -32.468 1.00 0.00 H new ATOM 0 HB2 ARG A 66 42.883 9.065 -34.911 1.00 0.00 H new ATOM 0 HB3 ARG A 66 42.398 7.432 -34.503 1.00 0.00 H new ATOM 0 HG2 ARG A 66 39.984 8.183 -34.462 1.00 0.00 H new ATOM 0 HG3 ARG A 66 40.493 9.792 -34.934 1.00 0.00 H new ATOM 0 HD2 ARG A 66 41.553 8.823 -37.008 1.00 0.00 H new ATOM 0 HD3 ARG A 66 40.976 7.235 -36.542 1.00 0.00 H new ATOM 0 HE ARG A 66 38.823 9.224 -36.627 1.00 0.00 H new ATOM 0 HH11 ARG A 66 40.855 7.011 -38.437 1.00 0.00 H new ATOM 0 HH12 ARG A 66 39.686 6.797 -39.743 1.00 0.00 H new ATOM 0 HH21 ARG A 66 37.327 8.945 -38.313 1.00 0.00 H new ATOM 0 HH22 ARG A 66 37.705 7.884 -39.673 1.00 0.00 H new ATOM 986 N ALA A 67 42.817 11.154 -32.565 1.00 0.00 N ATOM 987 CA ALA A 67 42.635 12.599 -32.414 1.00 0.00 C ATOM 988 C ALA A 67 43.023 13.319 -33.700 1.00 0.00 C ATOM 989 O ALA A 67 44.161 13.219 -34.160 1.00 0.00 O ATOM 990 CB ALA A 67 43.496 13.110 -31.259 1.00 0.00 C ATOM 0 H ALA A 67 43.786 10.841 -32.510 1.00 0.00 H new ATOM 0 HA ALA A 67 41.585 12.800 -32.201 1.00 0.00 H new ATOM 0 HB1 ALA A 67 43.358 14.186 -31.150 1.00 0.00 H new ATOM 0 HB2 ALA A 67 43.200 12.611 -30.336 1.00 0.00 H new ATOM 0 HB3 ALA A 67 44.545 12.898 -31.466 1.00 0.00 H new ATOM 996 N ASP A 68 42.069 14.046 -34.273 1.00 0.00 N ATOM 997 CA ASP A 68 42.314 14.783 -35.503 1.00 0.00 C ATOM 998 C ASP A 68 41.311 15.923 -35.654 1.00 0.00 C ATOM 999 O ASP A 68 41.064 16.399 -36.761 1.00 0.00 O ATOM 1000 CB ASP A 68 42.212 13.847 -36.707 1.00 0.00 C ATOM 1001 CG ASP A 68 40.823 13.220 -36.766 1.00 0.00 C ATOM 1002 OD1 ASP A 68 40.073 13.404 -35.822 1.00 0.00 O ATOM 1003 OD2 ASP A 68 40.532 12.561 -37.749 1.00 0.00 O ATOM 0 H ASP A 68 41.122 14.139 -33.905 1.00 0.00 H new ATOM 0 HA ASP A 68 43.319 15.202 -35.457 1.00 0.00 H new ATOM 0 HB2 ASP A 68 42.409 14.400 -37.625 1.00 0.00 H new ATOM 0 HB3 ASP A 68 42.969 13.066 -36.636 1.00 0.00 H new ATOM 1008 N ALA A 69 40.736 16.357 -34.538 1.00 0.00 N ATOM 1009 CA ALA A 69 39.762 17.437 -34.565 1.00 0.00 C ATOM 1010 C ALA A 69 39.413 17.867 -33.150 1.00 0.00 C ATOM 1011 O ALA A 69 40.190 17.659 -32.218 1.00 0.00 O ATOM 1012 CB ALA A 69 38.493 16.982 -35.287 1.00 0.00 C ATOM 0 H ALA A 69 40.927 15.979 -33.610 1.00 0.00 H new ATOM 0 HA ALA A 69 40.197 18.282 -35.098 1.00 0.00 H new ATOM 0 HB1 ALA A 69 37.770 17.798 -35.302 1.00 0.00 H new ATOM 0 HB2 ALA A 69 38.739 16.697 -36.310 1.00 0.00 H new ATOM 0 HB3 ALA A 69 38.064 16.127 -34.765 1.00 0.00 H new ATOM 1018 N LEU A 70 38.234 18.467 -32.993 1.00 0.00 N ATOM 1019 CA LEU A 70 37.783 18.922 -31.680 1.00 0.00 C ATOM 1020 C LEU A 70 36.306 18.614 -31.476 1.00 0.00 C ATOM 1021 O LEU A 70 35.841 18.466 -30.345 1.00 0.00 O ATOM 1022 CB LEU A 70 38.023 20.430 -31.542 1.00 0.00 C ATOM 1023 CG LEU A 70 37.460 20.933 -30.200 1.00 0.00 C ATOM 1024 CD1 LEU A 70 38.098 20.150 -29.039 1.00 0.00 C ATOM 1025 CD2 LEU A 70 37.768 22.423 -30.046 1.00 0.00 C ATOM 0 H LEU A 70 37.578 18.648 -33.753 1.00 0.00 H new ATOM 0 HA LEU A 70 38.353 18.391 -30.918 1.00 0.00 H new ATOM 0 HB2 LEU A 70 39.090 20.643 -31.601 1.00 0.00 H new ATOM 0 HB3 LEU A 70 37.546 20.959 -32.367 1.00 0.00 H new ATOM 0 HG LEU A 70 36.381 20.780 -30.182 1.00 0.00 H new ATOM 0 HD11 LEU A 70 37.696 20.511 -28.092 1.00 0.00 H new ATOM 0 HD12 LEU A 70 37.873 19.089 -29.148 1.00 0.00 H new ATOM 0 HD13 LEU A 70 39.178 20.295 -29.053 1.00 0.00 H new ATOM 0 HD21 LEU A 70 37.370 22.781 -29.096 1.00 0.00 H new ATOM 0 HD22 LEU A 70 38.847 22.576 -30.068 1.00 0.00 H new ATOM 0 HD23 LEU A 70 37.307 22.976 -30.864 1.00 0.00 H new ATOM 1037 N GLN A 71 35.572 18.522 -32.574 1.00 0.00 N ATOM 1038 CA GLN A 71 34.149 18.236 -32.507 1.00 0.00 C ATOM 1039 C GLN A 71 33.592 17.968 -33.901 1.00 0.00 C ATOM 1040 O GLN A 71 34.151 18.416 -34.902 1.00 0.00 O ATOM 1041 CB GLN A 71 33.406 19.414 -31.872 1.00 0.00 C ATOM 1042 CG GLN A 71 31.935 19.047 -31.665 1.00 0.00 C ATOM 1043 CD GLN A 71 31.228 20.144 -30.877 1.00 0.00 C ATOM 1044 OE1 GLN A 71 31.381 21.328 -31.182 1.00 0.00 O ATOM 1045 NE2 GLN A 71 30.461 19.820 -29.872 1.00 0.00 N ATOM 0 H GLN A 71 35.937 18.641 -33.519 1.00 0.00 H new ATOM 0 HA GLN A 71 34.004 17.347 -31.894 1.00 0.00 H new ATOM 0 HB2 GLN A 71 33.864 19.673 -30.917 1.00 0.00 H new ATOM 0 HB3 GLN A 71 33.485 20.293 -32.512 1.00 0.00 H new ATOM 0 HG2 GLN A 71 31.447 18.909 -32.630 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.860 18.099 -31.132 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.336 18.839 -29.621 1.00 0.00 H new ATOM 0 HE22 GLN A 71 29.987 20.548 -29.337 1.00 0.00 H new ATOM 1054 N ALA A 72 32.485 17.238 -33.956 1.00 0.00 N ATOM 1055 CA ALA A 72 31.855 16.916 -35.233 1.00 0.00 C ATOM 1056 C ALA A 72 30.405 16.489 -35.024 1.00 0.00 C ATOM 1057 O ALA A 72 30.049 15.958 -33.972 1.00 0.00 O ATOM 1058 CB ALA A 72 32.627 15.793 -35.925 1.00 0.00 C ATOM 0 H ALA A 72 32.007 16.859 -33.138 1.00 0.00 H new ATOM 0 HA ALA A 72 31.870 17.807 -35.860 1.00 0.00 H new ATOM 0 HB1 ALA A 72 32.152 15.558 -36.877 1.00 0.00 H new ATOM 0 HB2 ALA A 72 33.654 16.113 -36.101 1.00 0.00 H new ATOM 0 HB3 ALA A 72 32.627 14.907 -35.291 1.00 0.00 H new ATOM 1064 N GLY A 73 29.573 16.723 -36.035 1.00 0.00 N ATOM 1065 CA GLY A 73 28.164 16.357 -35.953 1.00 0.00 C ATOM 1066 C GLY A 73 27.997 14.845 -35.860 1.00 0.00 C ATOM 1067 O GLY A 73 27.179 14.349 -35.087 1.00 0.00 O ATOM 0 H GLY A 73 29.848 17.161 -36.914 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.712 16.831 -35.082 1.00 0.00 H new ATOM 0 HA3 GLY A 73 27.636 16.732 -36.830 1.00 0.00 H new ATOM 1071 N ALA A 74 28.779 14.114 -36.652 1.00 0.00 N ATOM 1072 CA ALA A 74 28.713 12.651 -36.653 1.00 0.00 C ATOM 1073 C ALA A 74 29.866 12.065 -35.844 1.00 0.00 C ATOM 1074 O ALA A 74 31.033 12.222 -36.205 1.00 0.00 O ATOM 1075 CB ALA A 74 28.778 12.130 -38.090 1.00 0.00 C ATOM 0 H ALA A 74 29.463 14.507 -37.299 1.00 0.00 H new ATOM 0 HA ALA A 74 27.771 12.345 -36.197 1.00 0.00 H new ATOM 0 HB1 ALA A 74 28.729 11.041 -38.085 1.00 0.00 H new ATOM 0 HB2 ALA A 74 27.939 12.529 -38.660 1.00 0.00 H new ATOM 0 HB3 ALA A 74 29.713 12.449 -38.551 1.00 0.00 H new ATOM 1081 N SER A 75 29.530 11.390 -34.749 1.00 0.00 N ATOM 1082 CA SER A 75 30.540 10.782 -33.897 1.00 0.00 C ATOM 1083 C SER A 75 29.926 9.680 -33.037 1.00 0.00 C ATOM 1084 O SER A 75 28.709 9.631 -32.849 1.00 0.00 O ATOM 1085 CB SER A 75 31.173 11.844 -32.997 1.00 0.00 C ATOM 1086 OG SER A 75 30.347 12.048 -31.859 1.00 0.00 O ATOM 0 H SER A 75 28.570 11.252 -34.434 1.00 0.00 H new ATOM 0 HA SER A 75 31.308 10.343 -34.534 1.00 0.00 H new ATOM 0 HB2 SER A 75 32.169 11.527 -32.686 1.00 0.00 H new ATOM 0 HB3 SER A 75 31.293 12.778 -33.546 1.00 0.00 H new ATOM 0 HG SER A 75 30.557 12.915 -31.453 1.00 0.00 H new ATOM 1092 N GLN A 76 30.774 8.798 -32.518 1.00 0.00 N ATOM 1093 CA GLN A 76 30.303 7.700 -31.678 1.00 0.00 C ATOM 1094 C GLN A 76 29.896 8.213 -30.301 1.00 0.00 C ATOM 1095 O GLN A 76 29.213 7.521 -29.546 1.00 0.00 O ATOM 1096 CB GLN A 76 31.401 6.647 -31.529 1.00 0.00 C ATOM 1097 CG GLN A 76 31.841 6.162 -32.915 1.00 0.00 C ATOM 1098 CD GLN A 76 32.743 7.204 -33.569 1.00 0.00 C ATOM 1099 OE1 GLN A 76 32.271 8.035 -34.346 1.00 0.00 O ATOM 1100 NE2 GLN A 76 34.018 7.213 -33.293 1.00 0.00 N ATOM 0 H GLN A 76 31.784 8.820 -32.662 1.00 0.00 H new ATOM 0 HA GLN A 76 29.433 7.251 -32.156 1.00 0.00 H new ATOM 0 HB2 GLN A 76 32.252 7.068 -30.993 1.00 0.00 H new ATOM 0 HB3 GLN A 76 31.036 5.807 -30.938 1.00 0.00 H new ATOM 0 HG2 GLN A 76 32.371 5.214 -32.826 1.00 0.00 H new ATOM 0 HG3 GLN A 76 30.967 5.981 -33.541 1.00 0.00 H new ATOM 0 HE21 GLN A 76 34.405 6.523 -32.649 1.00 0.00 H new ATOM 0 HE22 GLN A 76 34.628 7.910 -33.721 1.00 0.00 H new ATOM 1109 N PHE A 77 30.316 9.431 -29.982 1.00 0.00 N ATOM 1110 CA PHE A 77 29.986 10.034 -28.696 1.00 0.00 C ATOM 1111 C PHE A 77 28.479 10.220 -28.562 1.00 0.00 C ATOM 1112 O PHE A 77 27.941 10.230 -27.455 1.00 0.00 O ATOM 1113 CB PHE A 77 30.691 11.385 -28.548 1.00 0.00 C ATOM 1114 CG PHE A 77 32.169 11.162 -28.324 1.00 0.00 C ATOM 1115 CD1 PHE A 77 32.644 10.881 -27.038 1.00 0.00 C ATOM 1116 CD2 PHE A 77 33.061 11.237 -29.400 1.00 0.00 C ATOM 1117 CE1 PHE A 77 34.013 10.677 -26.826 1.00 0.00 C ATOM 1118 CE2 PHE A 77 34.430 11.031 -29.188 1.00 0.00 C ATOM 1119 CZ PHE A 77 34.906 10.751 -27.901 1.00 0.00 C ATOM 0 H PHE A 77 30.883 10.019 -30.593 1.00 0.00 H new ATOM 0 HA PHE A 77 30.328 9.365 -27.906 1.00 0.00 H new ATOM 0 HB2 PHE A 77 30.535 11.988 -29.442 1.00 0.00 H new ATOM 0 HB3 PHE A 77 30.265 11.939 -27.712 1.00 0.00 H new ATOM 0 HD1 PHE A 77 31.955 10.821 -26.209 1.00 0.00 H new ATOM 0 HD2 PHE A 77 32.694 11.453 -30.392 1.00 0.00 H new ATOM 0 HE1 PHE A 77 34.380 10.463 -25.833 1.00 0.00 H new ATOM 0 HE2 PHE A 77 35.119 11.088 -30.018 1.00 0.00 H new ATOM 0 HZ PHE A 77 35.962 10.592 -27.738 1.00 0.00 H new ATOM 1129 N GLU A 78 27.805 10.374 -29.694 1.00 0.00 N ATOM 1130 CA GLU A 78 26.358 10.567 -29.690 1.00 0.00 C ATOM 1131 C GLU A 78 25.671 9.451 -28.909 1.00 0.00 C ATOM 1132 O GLU A 78 24.534 9.605 -28.462 1.00 0.00 O ATOM 1133 CB GLU A 78 25.833 10.585 -31.128 1.00 0.00 C ATOM 1134 CG GLU A 78 26.398 11.799 -31.869 1.00 0.00 C ATOM 1135 CD GLU A 78 25.859 13.085 -31.254 1.00 0.00 C ATOM 1136 OE1 GLU A 78 24.839 13.017 -30.588 1.00 0.00 O ATOM 1137 OE2 GLU A 78 26.474 14.120 -31.454 1.00 0.00 O ATOM 0 H GLU A 78 28.231 10.369 -30.621 1.00 0.00 H new ATOM 0 HA GLU A 78 26.137 11.520 -29.209 1.00 0.00 H new ATOM 0 HB2 GLU A 78 26.120 9.667 -31.642 1.00 0.00 H new ATOM 0 HB3 GLU A 78 24.744 10.622 -31.127 1.00 0.00 H new ATOM 0 HG2 GLU A 78 27.487 11.791 -31.819 1.00 0.00 H new ATOM 0 HG3 GLU A 78 26.127 11.750 -32.924 1.00 0.00 H new ATOM 1144 N THR A 79 26.365 8.332 -28.747 1.00 0.00 N ATOM 1145 CA THR A 79 25.812 7.199 -28.015 1.00 0.00 C ATOM 1146 C THR A 79 25.738 7.507 -26.523 1.00 0.00 C ATOM 1147 O THR A 79 24.932 6.922 -25.798 1.00 0.00 O ATOM 1148 CB THR A 79 26.675 5.956 -28.241 1.00 0.00 C ATOM 1149 OG1 THR A 79 28.020 6.246 -27.889 1.00 0.00 O ATOM 1150 CG2 THR A 79 26.606 5.545 -29.713 1.00 0.00 C ATOM 0 H THR A 79 27.307 8.184 -29.110 1.00 0.00 H new ATOM 0 HA THR A 79 24.804 7.011 -28.385 1.00 0.00 H new ATOM 0 HB THR A 79 26.306 5.139 -27.622 1.00 0.00 H new ATOM 0 HG1 THR A 79 28.579 6.232 -28.694 1.00 0.00 H new ATOM 0 HG21 THR A 79 27.221 4.659 -29.873 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.573 5.322 -29.981 1.00 0.00 H new ATOM 0 HG23 THR A 79 26.975 6.360 -30.336 1.00 0.00 H new ATOM 1158 N SER A 80 26.583 8.426 -26.070 1.00 0.00 N ATOM 1159 CA SER A 80 26.609 8.801 -24.660 1.00 0.00 C ATOM 1160 C SER A 80 25.239 9.309 -24.218 1.00 0.00 C ATOM 1161 O SER A 80 24.846 9.136 -23.064 1.00 0.00 O ATOM 1162 CB SER A 80 27.656 9.890 -24.427 1.00 0.00 C ATOM 1163 OG SER A 80 27.253 11.079 -25.096 1.00 0.00 O ATOM 0 H SER A 80 27.256 8.923 -26.654 1.00 0.00 H new ATOM 0 HA SER A 80 26.867 7.919 -24.073 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.769 10.080 -23.360 1.00 0.00 H new ATOM 0 HB3 SER A 80 28.627 9.562 -24.797 1.00 0.00 H new ATOM 0 HG SER A 80 27.368 10.965 -26.063 1.00 0.00 H new ATOM 1169 N ALA A 81 24.519 9.932 -25.142 1.00 0.00 N ATOM 1170 CA ALA A 81 23.194 10.462 -24.839 1.00 0.00 C ATOM 1171 C ALA A 81 22.259 9.341 -24.395 1.00 0.00 C ATOM 1172 O ALA A 81 21.385 9.546 -23.553 1.00 0.00 O ATOM 1173 CB ALA A 81 22.612 11.157 -26.070 1.00 0.00 C ATOM 0 H ALA A 81 24.827 10.083 -26.103 1.00 0.00 H new ATOM 0 HA ALA A 81 23.290 11.184 -24.028 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.623 11.549 -25.833 1.00 0.00 H new ATOM 0 HB2 ALA A 81 23.265 11.977 -26.368 1.00 0.00 H new ATOM 0 HB3 ALA A 81 22.532 10.441 -26.888 1.00 0.00 H new ATOM 1179 N ALA A 82 22.446 8.156 -24.969 1.00 0.00 N ATOM 1180 CA ALA A 82 21.609 7.013 -24.624 1.00 0.00 C ATOM 1181 C ALA A 82 21.710 6.702 -23.133 1.00 0.00 C ATOM 1182 O ALA A 82 20.701 6.465 -22.467 1.00 0.00 O ATOM 1183 CB ALA A 82 22.041 5.787 -25.435 1.00 0.00 C ATOM 0 H ALA A 82 23.163 7.964 -25.669 1.00 0.00 H new ATOM 0 HA ALA A 82 20.574 7.260 -24.861 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.412 4.937 -25.172 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.938 6.000 -26.499 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.081 5.551 -25.211 1.00 0.00 H new ATOM 1189 N LYS A 83 22.933 6.707 -22.615 1.00 0.00 N ATOM 1190 CA LYS A 83 23.153 6.425 -21.206 1.00 0.00 C ATOM 1191 C LYS A 83 22.491 7.489 -20.341 1.00 0.00 C ATOM 1192 O LYS A 83 21.929 7.187 -19.288 1.00 0.00 O ATOM 1193 CB LYS A 83 24.650 6.383 -20.914 1.00 0.00 C ATOM 1194 CG LYS A 83 24.877 5.963 -19.457 1.00 0.00 C ATOM 1195 CD LYS A 83 26.389 5.839 -19.179 1.00 0.00 C ATOM 1196 CE LYS A 83 26.868 4.424 -19.518 1.00 0.00 C ATOM 1197 NZ LYS A 83 26.218 3.454 -18.594 1.00 0.00 N ATOM 0 H LYS A 83 23.781 6.902 -23.148 1.00 0.00 H new ATOM 0 HA LYS A 83 22.711 5.457 -20.971 1.00 0.00 H new ATOM 0 HB2 LYS A 83 25.143 5.681 -21.587 1.00 0.00 H new ATOM 0 HB3 LYS A 83 25.094 7.362 -21.094 1.00 0.00 H new ATOM 0 HG2 LYS A 83 24.433 6.697 -18.784 1.00 0.00 H new ATOM 0 HG3 LYS A 83 24.383 5.011 -19.262 1.00 0.00 H new ATOM 0 HD2 LYS A 83 26.938 6.570 -19.773 1.00 0.00 H new ATOM 0 HD3 LYS A 83 26.594 6.060 -18.132 1.00 0.00 H new ATOM 0 HE2 LYS A 83 26.622 4.181 -20.552 1.00 0.00 H new ATOM 0 HE3 LYS A 83 27.952 4.362 -19.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 26.855 2.648 -18.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 26.013 3.921 -17.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 25.330 3.114 -19.016 1.00 0.00 H new ATOM 1211 N LEU A 84 22.565 8.735 -20.791 1.00 0.00 N ATOM 1212 CA LEU A 84 21.972 9.835 -20.046 1.00 0.00 C ATOM 1213 C LEU A 84 20.461 9.656 -19.942 1.00 0.00 C ATOM 1214 O LEU A 84 19.869 9.887 -18.888 1.00 0.00 O ATOM 1215 CB LEU A 84 22.286 11.170 -20.735 1.00 0.00 C ATOM 1216 CG LEU A 84 21.579 12.323 -20.003 1.00 0.00 C ATOM 1217 CD1 LEU A 84 21.996 12.339 -18.523 1.00 0.00 C ATOM 1218 CD2 LEU A 84 21.960 13.651 -20.661 1.00 0.00 C ATOM 0 H LEU A 84 23.025 9.006 -21.660 1.00 0.00 H new ATOM 0 HA LEU A 84 22.398 9.839 -19.042 1.00 0.00 H new ATOM 0 HB2 LEU A 84 23.363 11.340 -20.742 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.962 11.136 -21.775 1.00 0.00 H new ATOM 0 HG LEU A 84 20.500 12.182 -20.065 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.491 13.158 -18.012 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.718 11.394 -18.056 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.075 12.476 -18.450 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.460 14.470 -20.144 1.00 0.00 H new ATOM 0 HD22 LEU A 84 23.040 13.790 -20.602 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.652 13.640 -21.707 1.00 0.00 H new ATOM 1230 N LYS A 85 19.846 9.249 -21.045 1.00 0.00 N ATOM 1231 CA LYS A 85 18.402 9.049 -21.072 1.00 0.00 C ATOM 1232 C LYS A 85 17.995 7.977 -20.069 1.00 0.00 C ATOM 1233 O LYS A 85 16.964 8.093 -19.405 1.00 0.00 O ATOM 1234 CB LYS A 85 17.958 8.637 -22.477 1.00 0.00 C ATOM 1235 CG LYS A 85 16.432 8.542 -22.522 1.00 0.00 C ATOM 1236 CD LYS A 85 15.981 8.208 -23.946 1.00 0.00 C ATOM 1237 CE LYS A 85 14.455 8.133 -23.994 1.00 0.00 C ATOM 1238 NZ LYS A 85 13.982 7.076 -23.057 1.00 0.00 N ATOM 0 H LYS A 85 20.320 9.052 -21.927 1.00 0.00 H new ATOM 0 HA LYS A 85 17.916 9.986 -20.801 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.310 9.364 -23.209 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.401 7.677 -22.743 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.085 7.775 -21.830 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.989 9.485 -22.201 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.340 8.968 -24.640 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.412 7.258 -24.262 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.024 9.096 -23.721 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.122 7.911 -25.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.196 6.552 -23.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.763 6.421 -22.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.656 7.516 -22.173 1.00 0.00 H new ATOM 1252 N ARG A 86 18.809 6.935 -19.967 1.00 0.00 N ATOM 1253 CA ARG A 86 18.526 5.842 -19.043 1.00 0.00 C ATOM 1254 C ARG A 86 18.526 6.342 -17.602 1.00 0.00 C ATOM 1255 O ARG A 86 17.750 5.874 -16.770 1.00 0.00 O ATOM 1256 CB ARG A 86 19.567 4.733 -19.205 1.00 0.00 C ATOM 1257 CG ARG A 86 19.367 4.038 -20.554 1.00 0.00 C ATOM 1258 CD ARG A 86 20.474 3.002 -20.762 1.00 0.00 C ATOM 1259 NE ARG A 86 20.381 1.953 -19.752 1.00 0.00 N ATOM 1260 CZ ARG A 86 21.307 1.006 -19.660 1.00 0.00 C ATOM 1261 NH1 ARG A 86 22.322 1.002 -20.481 1.00 0.00 N ATOM 1262 NH2 ARG A 86 21.203 0.077 -18.748 1.00 0.00 N ATOM 0 H ARG A 86 19.666 6.822 -20.509 1.00 0.00 H new ATOM 0 HA ARG A 86 17.538 5.444 -19.275 1.00 0.00 H new ATOM 0 HB2 ARG A 86 20.572 5.151 -19.145 1.00 0.00 H new ATOM 0 HB3 ARG A 86 19.473 4.010 -18.394 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.391 3.554 -20.585 1.00 0.00 H new ATOM 0 HG3 ARG A 86 19.385 4.772 -21.360 1.00 0.00 H new ATOM 0 HD2 ARG A 86 20.391 2.566 -21.758 1.00 0.00 H new ATOM 0 HD3 ARG A 86 21.449 3.485 -20.706 1.00 0.00 H new ATOM 0 HE ARG A 86 19.592 1.947 -19.106 1.00 0.00 H new ATOM 0 HH11 ARG A 86 22.404 1.727 -21.194 1.00 0.00 H new ATOM 0 HH12 ARG A 86 23.033 0.274 -20.410 1.00 0.00 H new ATOM 0 HH21 ARG A 86 20.410 0.079 -18.106 1.00 0.00 H new ATOM 0 HH22 ARG A 86 21.915 -0.650 -18.678 1.00 0.00 H new ATOM 1276 N LYS A 87 19.404 7.292 -17.321 1.00 0.00 N ATOM 1277 CA LYS A 87 19.506 7.855 -15.978 1.00 0.00 C ATOM 1278 C LYS A 87 18.195 8.524 -15.575 1.00 0.00 C ATOM 1279 O LYS A 87 17.787 8.461 -14.415 1.00 0.00 O ATOM 1280 CB LYS A 87 20.644 8.878 -15.920 1.00 0.00 C ATOM 1281 CG LYS A 87 20.820 9.366 -14.480 1.00 0.00 C ATOM 1282 CD LYS A 87 22.035 10.291 -14.399 1.00 0.00 C ATOM 1283 CE LYS A 87 22.229 10.754 -12.952 1.00 0.00 C ATOM 1284 NZ LYS A 87 21.014 11.488 -12.499 1.00 0.00 N ATOM 0 H LYS A 87 20.054 7.690 -17.999 1.00 0.00 H new ATOM 0 HA LYS A 87 19.715 7.043 -15.282 1.00 0.00 H new ATOM 0 HB2 LYS A 87 21.570 8.428 -16.278 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.424 9.720 -16.576 1.00 0.00 H new ATOM 0 HG2 LYS A 87 19.925 9.895 -14.152 1.00 0.00 H new ATOM 0 HG3 LYS A 87 20.952 8.516 -13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 87 22.926 9.769 -14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 87 21.894 11.152 -15.052 1.00 0.00 H new ATOM 0 HE2 LYS A 87 22.411 9.896 -12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.105 11.399 -12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.256 12.095 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.654 12.076 -13.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.283 10.806 -12.213 1.00 0.00 H new ATOM 1298 N TYR A 88 17.543 9.161 -16.538 1.00 0.00 N ATOM 1299 CA TYR A 88 16.280 9.841 -16.274 1.00 0.00 C ATOM 1300 C TYR A 88 15.238 8.849 -15.769 1.00 0.00 C ATOM 1301 O TYR A 88 14.477 9.151 -14.851 1.00 0.00 O ATOM 1302 CB TYR A 88 15.772 10.516 -17.549 1.00 0.00 C ATOM 1303 CG TYR A 88 14.464 11.215 -17.261 1.00 0.00 C ATOM 1304 CD1 TYR A 88 14.463 12.442 -16.586 1.00 0.00 C ATOM 1305 CD2 TYR A 88 13.253 10.639 -17.665 1.00 0.00 C ATOM 1306 CE1 TYR A 88 13.253 13.095 -16.318 1.00 0.00 C ATOM 1307 CE2 TYR A 88 12.044 11.293 -17.397 1.00 0.00 C ATOM 1308 CZ TYR A 88 12.044 12.519 -16.723 1.00 0.00 C ATOM 1309 OH TYR A 88 10.852 13.162 -16.458 1.00 0.00 O ATOM 0 H TYR A 88 17.864 9.222 -17.504 1.00 0.00 H new ATOM 0 HA TYR A 88 16.448 10.598 -15.508 1.00 0.00 H new ATOM 0 HB2 TYR A 88 16.508 11.234 -17.912 1.00 0.00 H new ATOM 0 HB3 TYR A 88 15.635 9.775 -18.336 1.00 0.00 H new ATOM 0 HD1 TYR A 88 15.396 12.885 -16.272 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.252 9.691 -18.183 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.253 14.042 -15.799 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.110 10.850 -17.711 1.00 0.00 H new ATOM 0 HH TYR A 88 10.108 12.628 -16.807 1.00 0.00 H new ATOM 1319 N TRP A 89 15.203 7.669 -16.381 1.00 0.00 N ATOM 1320 CA TRP A 89 14.244 6.643 -15.988 1.00 0.00 C ATOM 1321 C TRP A 89 14.379 6.328 -14.495 1.00 0.00 C ATOM 1322 O TRP A 89 14.889 7.137 -13.722 1.00 0.00 O ATOM 1323 CB TRP A 89 14.477 5.366 -16.814 1.00 0.00 C ATOM 1324 CG TRP A 89 13.214 4.565 -16.876 1.00 0.00 C ATOM 1325 CD1 TRP A 89 13.049 3.326 -16.360 1.00 0.00 C ATOM 1326 CD2 TRP A 89 11.939 4.935 -17.473 1.00 0.00 C ATOM 1327 NE1 TRP A 89 11.753 2.910 -16.606 1.00 0.00 N ATOM 1328 CE2 TRP A 89 11.030 3.867 -17.292 1.00 0.00 C ATOM 1329 CE3 TRP A 89 11.488 6.081 -18.153 1.00 0.00 C ATOM 1330 CZ2 TRP A 89 9.719 3.933 -17.764 1.00 0.00 C ATOM 1331 CZ3 TRP A 89 10.168 6.152 -18.628 1.00 0.00 C ATOM 1332 CH2 TRP A 89 9.287 5.080 -18.436 1.00 0.00 C ATOM 0 H TRP A 89 15.823 7.401 -17.145 1.00 0.00 H new ATOM 0 HA TRP A 89 13.237 7.016 -16.177 1.00 0.00 H new ATOM 0 HB2 TRP A 89 14.802 5.627 -17.821 1.00 0.00 H new ATOM 0 HB3 TRP A 89 15.274 4.772 -16.366 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.805 2.755 -15.841 1.00 0.00 H new ATOM 0 HE1 TRP A 89 11.377 2.007 -16.316 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.161 6.911 -18.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 9.043 3.105 -17.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 9.830 7.038 -19.144 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.274 5.140 -18.807 1.00 0.00 H new ATOM 1343 N TRP A 90 13.923 5.144 -14.103 1.00 0.00 N ATOM 1344 CA TRP A 90 13.998 4.731 -12.704 1.00 0.00 C ATOM 1345 C TRP A 90 15.368 5.047 -12.130 1.00 0.00 C ATOM 1346 O TRP A 90 15.527 6.019 -11.392 1.00 0.00 O ATOM 1347 CB TRP A 90 13.727 3.229 -12.594 1.00 0.00 C ATOM 1348 CG TRP A 90 12.463 2.882 -13.325 1.00 0.00 C ATOM 1349 CD1 TRP A 90 11.518 3.768 -13.734 1.00 0.00 C ATOM 1350 CD2 TRP A 90 11.993 1.568 -13.744 1.00 0.00 C ATOM 1351 NE1 TRP A 90 10.507 3.080 -14.370 1.00 0.00 N ATOM 1352 CE2 TRP A 90 10.751 1.725 -14.403 1.00 0.00 C ATOM 1353 CE3 TRP A 90 12.517 0.267 -13.619 1.00 0.00 C ATOM 1354 CZ2 TRP A 90 10.054 0.634 -14.918 1.00 0.00 C ATOM 1355 CZ3 TRP A 90 11.815 -0.833 -14.139 1.00 0.00 C ATOM 1356 CH2 TRP A 90 10.586 -0.649 -14.786 1.00 0.00 C ATOM 0 H TRP A 90 13.500 4.457 -14.727 1.00 0.00 H new ATOM 0 HA TRP A 90 13.246 5.279 -12.137 1.00 0.00 H new ATOM 0 HB2 TRP A 90 14.564 2.668 -13.011 1.00 0.00 H new ATOM 0 HB3 TRP A 90 13.642 2.942 -11.546 1.00 0.00 H new ATOM 0 HD1 TRP A 90 11.553 4.837 -13.585 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.678 3.521 -14.768 1.00 0.00 H new ATOM 0 HE3 TRP A 90 13.463 0.114 -13.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 9.107 0.781 -15.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 12.225 -1.827 -14.039 1.00 0.00 H new ATOM 0 HH2 TRP A 90 10.051 -1.499 -15.182 1.00 0.00 H new ATOM 1367 N LYS A 91 16.354 4.225 -12.473 1.00 0.00 N ATOM 1368 CA LYS A 91 17.709 4.437 -11.980 1.00 0.00 C ATOM 1369 C LYS A 91 18.667 3.417 -12.585 1.00 0.00 C ATOM 1370 O LYS A 91 19.857 3.690 -12.732 1.00 0.00 O ATOM 1371 CB LYS A 91 17.719 4.339 -10.431 1.00 0.00 C ATOM 1372 CG LYS A 91 18.079 5.689 -9.798 1.00 0.00 C ATOM 1373 CD LYS A 91 19.580 5.941 -9.957 1.00 0.00 C ATOM 1374 CE LYS A 91 19.935 7.280 -9.322 1.00 0.00 C ATOM 1375 NZ LYS A 91 21.393 7.531 -9.485 1.00 0.00 N ATOM 0 H LYS A 91 16.243 3.415 -13.083 1.00 0.00 H new ATOM 0 HA LYS A 91 18.043 5.431 -12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.740 4.017 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.437 3.582 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.512 6.489 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.808 5.692 -8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.147 5.139 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.850 5.943 -11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.362 8.081 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.671 7.275 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.638 8.444 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.930 6.772 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.631 7.552 -10.497 1.00 0.00 H new ATOM 1389 N ASN A 92 18.140 2.251 -12.924 1.00 0.00 N ATOM 1390 CA ASN A 92 18.952 1.194 -13.505 1.00 0.00 C ATOM 1391 C ASN A 92 19.977 0.692 -12.497 1.00 0.00 C ATOM 1392 O ASN A 92 20.731 -0.241 -12.776 1.00 0.00 O ATOM 1393 CB ASN A 92 19.668 1.725 -14.754 1.00 0.00 C ATOM 1394 CG ASN A 92 20.151 0.566 -15.615 1.00 0.00 C ATOM 1395 OD1 ASN A 92 21.268 0.682 -16.278 1.00 0.00 O flip ATOM 1396 ND2 ASN A 92 19.493 -0.470 -15.687 1.00 0.00 N flip ATOM 0 H ASN A 92 17.155 2.013 -12.807 1.00 0.00 H new ATOM 0 HA ASN A 92 18.303 0.363 -13.782 1.00 0.00 H new ATOM 0 HB2 ASN A 92 18.991 2.357 -15.329 1.00 0.00 H new ATOM 0 HB3 ASN A 92 20.514 2.347 -14.461 1.00 0.00 H new ATOM 0 HD21 ASN A 92 18.620 -0.557 -15.167 1.00 0.00 H new ATOM 0 HD22 ASN A 92 19.820 -1.243 -16.267 1.00 0.00 H new ATOM 1403 N LEU A 93 20.010 1.318 -11.327 1.00 0.00 N ATOM 1404 CA LEU A 93 20.960 0.919 -10.303 1.00 0.00 C ATOM 1405 C LEU A 93 20.678 -0.510 -9.838 1.00 0.00 C ATOM 1406 O LEU A 93 21.590 -1.320 -9.677 1.00 0.00 O ATOM 1407 CB LEU A 93 20.877 1.890 -9.107 1.00 0.00 C ATOM 1408 CG LEU A 93 22.256 2.025 -8.436 1.00 0.00 C ATOM 1409 CD1 LEU A 93 22.787 0.632 -8.054 1.00 0.00 C ATOM 1410 CD2 LEU A 93 23.248 2.727 -9.407 1.00 0.00 C ATOM 0 H LEU A 93 19.399 2.092 -11.068 1.00 0.00 H new ATOM 0 HA LEU A 93 21.965 0.953 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 93 20.532 2.867 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 93 20.147 1.527 -8.384 1.00 0.00 H new ATOM 0 HG LEU A 93 22.159 2.627 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 93 23.763 0.732 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 93 22.094 0.156 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 93 22.881 0.020 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 93 24.222 2.820 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 93 23.347 2.135 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 93 22.871 3.718 -9.658 1.00 0.00 H new ATOM 1422 N LYS A 94 19.408 -0.804 -9.621 1.00 0.00 N ATOM 1423 CA LYS A 94 19.011 -2.127 -9.167 1.00 0.00 C ATOM 1424 C LYS A 94 19.336 -3.172 -10.224 1.00 0.00 C ATOM 1425 O LYS A 94 19.678 -4.310 -9.904 1.00 0.00 O ATOM 1426 CB LYS A 94 17.518 -2.151 -8.854 1.00 0.00 C ATOM 1427 CG LYS A 94 17.239 -1.270 -7.632 1.00 0.00 C ATOM 1428 CD LYS A 94 15.769 -1.411 -7.225 1.00 0.00 C ATOM 1429 CE LYS A 94 14.863 -0.803 -8.303 1.00 0.00 C ATOM 1430 NZ LYS A 94 13.519 -0.531 -7.726 1.00 0.00 N ATOM 0 H LYS A 94 18.637 -0.149 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 94 19.568 -2.362 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.950 -1.792 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.192 -3.173 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.886 -1.562 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.465 -0.229 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.522 -2.463 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.598 -0.912 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.301 0.120 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.776 -1.486 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.904 -0.119 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.102 -1.420 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.610 0.136 -6.933 1.00 0.00 H new ATOM 1444 N MET A 95 19.225 -2.776 -11.485 1.00 0.00 N ATOM 1445 CA MET A 95 19.504 -3.683 -12.591 1.00 0.00 C ATOM 1446 C MET A 95 20.963 -4.134 -12.552 1.00 0.00 C ATOM 1447 O MET A 95 21.287 -5.262 -12.917 1.00 0.00 O ATOM 1448 CB MET A 95 19.215 -2.990 -13.926 1.00 0.00 C ATOM 1449 CG MET A 95 17.703 -2.918 -14.152 1.00 0.00 C ATOM 1450 SD MET A 95 17.369 -2.167 -15.764 1.00 0.00 S ATOM 1451 CE MET A 95 15.585 -1.951 -15.544 1.00 0.00 C ATOM 0 H MET A 95 18.945 -1.837 -11.767 1.00 0.00 H new ATOM 0 HA MET A 95 18.860 -4.557 -12.493 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.641 -1.987 -13.926 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.689 -3.537 -14.741 1.00 0.00 H new ATOM 0 HG2 MET A 95 17.270 -3.917 -14.108 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.234 -2.332 -13.362 1.00 0.00 H new ATOM 0 HE1 MET A 95 15.161 -1.493 -16.438 1.00 0.00 H new ATOM 0 HE2 MET A 95 15.119 -2.922 -15.378 1.00 0.00 H new ATOM 0 HE3 MET A 95 15.400 -1.308 -14.684 1.00 0.00 H new ATOM 1461 N MET A 96 21.841 -3.242 -12.127 1.00 0.00 N ATOM 1462 CA MET A 96 23.259 -3.565 -12.048 1.00 0.00 C ATOM 1463 C MET A 96 23.546 -4.463 -10.846 1.00 0.00 C ATOM 1464 O MET A 96 24.382 -5.364 -10.917 1.00 0.00 O ATOM 1465 CB MET A 96 24.076 -2.279 -11.933 1.00 0.00 C ATOM 1466 CG MET A 96 23.922 -1.456 -13.214 1.00 0.00 C ATOM 1467 SD MET A 96 24.680 -2.336 -14.604 1.00 0.00 S ATOM 1468 CE MET A 96 26.401 -2.225 -14.050 1.00 0.00 C ATOM 0 H MET A 96 21.602 -2.295 -11.833 1.00 0.00 H new ATOM 0 HA MET A 96 23.541 -4.099 -12.955 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.740 -1.699 -11.074 1.00 0.00 H new ATOM 0 HB3 MET A 96 25.126 -2.517 -11.766 1.00 0.00 H new ATOM 0 HG2 MET A 96 22.866 -1.277 -13.417 1.00 0.00 H new ATOM 0 HG3 MET A 96 24.392 -0.481 -13.089 1.00 0.00 H new ATOM 0 HE1 MET A 96 27.061 -2.202 -14.917 1.00 0.00 H new ATOM 0 HE2 MET A 96 26.537 -1.315 -13.466 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.641 -3.091 -13.434 1.00 0.00 H new ATOM 1478 N ILE A 97 22.861 -4.197 -9.737 1.00 0.00 N ATOM 1479 CA ILE A 97 23.065 -4.979 -8.522 1.00 0.00 C ATOM 1480 C ILE A 97 22.607 -6.423 -8.712 1.00 0.00 C ATOM 1481 O ILE A 97 23.314 -7.361 -8.342 1.00 0.00 O ATOM 1482 CB ILE A 97 22.286 -4.346 -7.363 1.00 0.00 C ATOM 1483 CG1 ILE A 97 22.891 -2.980 -7.030 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.371 -5.251 -6.130 1.00 0.00 C ATOM 1485 CD1 ILE A 97 21.973 -2.235 -6.055 1.00 0.00 C ATOM 0 H ILE A 97 22.167 -3.454 -9.655 1.00 0.00 H new ATOM 0 HA ILE A 97 24.131 -4.982 -8.296 1.00 0.00 H new ATOM 0 HB ILE A 97 21.242 -4.225 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 97 23.880 -3.107 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.020 -2.396 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 97 21.817 -4.799 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 97 21.943 -6.226 -6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.415 -5.374 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.405 -1.263 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 97 20.993 -2.095 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 97 21.866 -2.816 -5.139 1.00 0.00 H new ATOM 1497 N ILE A 98 21.424 -6.593 -9.289 1.00 0.00 N ATOM 1498 CA ILE A 98 20.878 -7.925 -9.516 1.00 0.00 C ATOM 1499 C ILE A 98 21.732 -8.691 -10.516 1.00 0.00 C ATOM 1500 O ILE A 98 21.951 -9.893 -10.371 1.00 0.00 O ATOM 1501 CB ILE A 98 19.439 -7.823 -10.026 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.833 -9.222 -10.130 1.00 0.00 C ATOM 1503 CG2 ILE A 98 19.426 -7.156 -11.396 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.323 -9.109 -10.344 1.00 0.00 C ATOM 0 H ILE A 98 20.827 -5.830 -9.607 1.00 0.00 H new ATOM 0 HA ILE A 98 20.883 -8.466 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 98 18.851 -7.225 -9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 98 19.288 -9.767 -10.957 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.041 -9.788 -9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.400 -7.085 -11.756 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.853 -6.156 -11.318 1.00 0.00 H new ATOM 0 HG23 ILE A 98 20.016 -7.749 -12.095 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.890 -10.107 -10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 98 16.875 -8.581 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 98 17.126 -8.559 -11.264 1.00 0.00 H new ATOM 1516 N LEU A 99 22.213 -7.986 -11.530 1.00 0.00 N ATOM 1517 CA LEU A 99 23.046 -8.605 -12.551 1.00 0.00 C ATOM 1518 C LEU A 99 24.336 -9.137 -11.944 1.00 0.00 C ATOM 1519 O LEU A 99 24.810 -10.210 -12.314 1.00 0.00 O ATOM 1520 CB LEU A 99 23.369 -7.583 -13.648 1.00 0.00 C ATOM 1521 CG LEU A 99 22.172 -7.447 -14.604 1.00 0.00 C ATOM 1522 CD1 LEU A 99 22.367 -6.214 -15.494 1.00 0.00 C ATOM 1523 CD2 LEU A 99 22.039 -8.714 -15.488 1.00 0.00 C ATOM 0 H LEU A 99 22.042 -6.990 -11.668 1.00 0.00 H new ATOM 0 HA LEU A 99 22.498 -9.441 -12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 99 23.600 -6.616 -13.200 1.00 0.00 H new ATOM 0 HB3 LEU A 99 24.254 -7.898 -14.201 1.00 0.00 H new ATOM 0 HG LEU A 99 21.261 -7.334 -14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 99 21.519 -6.117 -16.172 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.437 -5.323 -14.871 1.00 0.00 H new ATOM 0 HD13 LEU A 99 23.284 -6.325 -16.073 1.00 0.00 H new ATOM 0 HD21 LEU A 99 21.187 -8.602 -16.159 1.00 0.00 H new ATOM 0 HD22 LEU A 99 22.948 -8.845 -16.075 1.00 0.00 H new ATOM 0 HD23 LEU A 99 21.888 -9.587 -14.853 1.00 0.00 H new ATOM 1535 N GLY A 100 24.901 -8.376 -11.019 1.00 0.00 N ATOM 1536 CA GLY A 100 26.143 -8.776 -10.375 1.00 0.00 C ATOM 1537 C GLY A 100 25.969 -10.094 -9.628 1.00 0.00 C ATOM 1538 O GLY A 100 26.897 -10.899 -9.549 1.00 0.00 O ATOM 0 H GLY A 100 24.523 -7.484 -10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.929 -8.879 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.464 -7.999 -9.681 1.00 0.00 H new ATOM 1542 N VAL A 101 24.779 -10.305 -9.083 1.00 0.00 N ATOM 1543 CA VAL A 101 24.496 -11.530 -8.344 1.00 0.00 C ATOM 1544 C VAL A 101 24.597 -12.745 -9.263 1.00 0.00 C ATOM 1545 O VAL A 101 25.158 -13.774 -8.888 1.00 0.00 O ATOM 1546 CB VAL A 101 23.096 -11.461 -7.730 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.765 -12.791 -7.050 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.052 -10.337 -6.693 1.00 0.00 C ATOM 0 H VAL A 101 23.999 -9.650 -9.137 1.00 0.00 H new ATOM 0 HA VAL A 101 25.233 -11.631 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 101 22.366 -11.265 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.767 -12.738 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.797 -13.594 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.494 -12.990 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.056 -10.286 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.784 -10.536 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.285 -9.388 -7.175 1.00 0.00 H new ATOM 1558 N ILE A 102 24.035 -12.623 -10.461 1.00 0.00 N ATOM 1559 CA ILE A 102 24.051 -13.724 -11.419 1.00 0.00 C ATOM 1560 C ILE A 102 25.477 -14.071 -11.804 1.00 0.00 C ATOM 1561 O ILE A 102 25.856 -15.234 -11.862 1.00 0.00 O ATOM 1562 CB ILE A 102 23.260 -13.330 -12.672 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.912 -12.721 -12.263 1.00 0.00 C ATOM 1564 CG2 ILE A 102 23.006 -14.577 -13.523 1.00 0.00 C ATOM 1565 CD1 ILE A 102 21.226 -13.613 -11.231 1.00 0.00 C ATOM 0 H ILE A 102 23.566 -11.779 -10.791 1.00 0.00 H new ATOM 0 HA ILE A 102 23.590 -14.597 -10.957 1.00 0.00 H new ATOM 0 HB ILE A 102 23.832 -12.599 -13.244 1.00 0.00 H new ATOM 0 HG12 ILE A 102 22.065 -11.724 -11.850 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.274 -12.608 -13.139 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.444 -14.300 -14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.959 -15.017 -13.817 1.00 0.00 H new ATOM 0 HG23 ILE A 102 22.434 -15.302 -12.944 1.00 0.00 H new ATOM 0 HD11 ILE A 102 20.270 -13.172 -10.947 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.057 -14.601 -11.659 1.00 0.00 H new ATOM 0 HD13 ILE A 102 21.860 -13.703 -10.349 1.00 0.00 H new ATOM 1577 N CYS A 103 26.258 -13.049 -12.061 1.00 0.00 N ATOM 1578 CA CYS A 103 27.662 -13.241 -12.439 1.00 0.00 C ATOM 1579 C CYS A 103 28.483 -13.732 -11.248 1.00 0.00 C ATOM 1580 O CYS A 103 29.451 -14.477 -11.405 1.00 0.00 O ATOM 1581 CB CYS A 103 28.258 -11.938 -12.972 1.00 0.00 C ATOM 1582 SG CYS A 103 28.678 -10.840 -11.597 1.00 0.00 S ATOM 0 H CYS A 103 25.959 -12.075 -12.019 1.00 0.00 H new ATOM 0 HA CYS A 103 27.696 -13.996 -13.225 1.00 0.00 H new ATOM 0 HB2 CYS A 103 29.149 -12.151 -13.563 1.00 0.00 H new ATOM 0 HB3 CYS A 103 27.546 -11.447 -13.635 1.00 0.00 H new ATOM 0 HG CYS A 103 27.842 -11.030 -10.619 1.00 0.00 H new ATOM 1588 N ALA A 104 28.095 -13.289 -10.059 1.00 0.00 N ATOM 1589 CA ALA A 104 28.802 -13.670 -8.844 1.00 0.00 C ATOM 1590 C ALA A 104 28.828 -15.186 -8.679 1.00 0.00 C ATOM 1591 O ALA A 104 29.888 -15.773 -8.472 1.00 0.00 O ATOM 1592 CB ALA A 104 28.127 -13.043 -7.623 1.00 0.00 C ATOM 0 H ALA A 104 27.299 -12.669 -9.911 1.00 0.00 H new ATOM 0 HA ALA A 104 29.826 -13.307 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.664 -13.335 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.140 -11.957 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.096 -13.390 -7.559 1.00 0.00 H new ATOM 1598 N ILE A 105 27.659 -15.817 -8.779 1.00 0.00 N ATOM 1599 CA ILE A 105 27.564 -17.261 -8.642 1.00 0.00 C ATOM 1600 C ILE A 105 28.305 -17.964 -9.774 1.00 0.00 C ATOM 1601 O ILE A 105 28.886 -19.032 -9.576 1.00 0.00 O ATOM 1602 CB ILE A 105 26.096 -17.676 -8.638 1.00 0.00 C ATOM 1603 CG1 ILE A 105 25.380 -17.048 -9.832 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.429 -17.216 -7.343 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.949 -17.581 -9.922 1.00 0.00 C ATOM 0 H ILE A 105 26.770 -15.349 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 105 28.028 -17.555 -7.700 1.00 0.00 H new ATOM 0 HB ILE A 105 26.033 -18.762 -8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.367 -15.963 -9.729 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.920 -17.275 -10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.381 -17.516 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 105 25.934 -17.673 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.496 -16.131 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 105 23.445 -17.128 -10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.971 -18.664 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.410 -17.331 -9.008 1.00 0.00 H new ATOM 1617 N ILE A 106 28.290 -17.360 -10.950 1.00 0.00 N ATOM 1618 CA ILE A 106 28.973 -17.930 -12.102 1.00 0.00 C ATOM 1619 C ILE A 106 30.470 -18.010 -11.842 1.00 0.00 C ATOM 1620 O ILE A 106 31.118 -18.995 -12.191 1.00 0.00 O ATOM 1621 CB ILE A 106 28.704 -17.090 -13.351 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.244 -17.256 -13.782 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.616 -17.539 -14.497 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.875 -16.202 -14.840 1.00 0.00 C ATOM 0 H ILE A 106 27.814 -16.477 -11.134 1.00 0.00 H new ATOM 0 HA ILE A 106 28.589 -18.937 -12.267 1.00 0.00 H new ATOM 0 HB ILE A 106 28.904 -16.044 -13.117 1.00 0.00 H new ATOM 0 HG12 ILE A 106 27.089 -18.256 -14.186 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.589 -17.157 -12.916 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.415 -16.933 -15.381 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.658 -17.416 -14.202 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.425 -18.588 -14.725 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.834 -16.333 -15.136 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.011 -15.204 -14.422 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.518 -16.321 -15.712 1.00 0.00 H new ATOM 1636 N LEU A 107 31.015 -16.957 -11.252 1.00 0.00 N ATOM 1637 CA LEU A 107 32.441 -16.920 -10.980 1.00 0.00 C ATOM 1638 C LEU A 107 32.845 -18.083 -10.081 1.00 0.00 C ATOM 1639 O LEU A 107 33.868 -18.726 -10.307 1.00 0.00 O ATOM 1640 CB LEU A 107 32.808 -15.593 -10.297 1.00 0.00 C ATOM 1641 CG LEU A 107 34.321 -15.541 -10.021 1.00 0.00 C ATOM 1642 CD1 LEU A 107 35.102 -15.666 -11.341 1.00 0.00 C ATOM 1643 CD2 LEU A 107 34.665 -14.215 -9.336 1.00 0.00 C ATOM 0 H LEU A 107 30.499 -16.128 -10.956 1.00 0.00 H new ATOM 0 HA LEU A 107 32.975 -17.004 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 107 32.517 -14.756 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 107 32.256 -15.491 -9.362 1.00 0.00 H new ATOM 0 HG LEU A 107 34.598 -16.370 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 107 36.172 -15.628 -11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 107 34.858 -16.614 -11.820 1.00 0.00 H new ATOM 0 HD13 LEU A 107 34.830 -14.844 -12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 107 35.736 -14.175 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.384 -13.386 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 107 34.120 -14.139 -8.395 1.00 0.00 H new ATOM 1655 N ILE A 108 32.041 -18.347 -9.064 1.00 0.00 N ATOM 1656 CA ILE A 108 32.329 -19.435 -8.135 1.00 0.00 C ATOM 1657 C ILE A 108 32.309 -20.773 -8.858 1.00 0.00 C ATOM 1658 O ILE A 108 33.168 -21.624 -8.631 1.00 0.00 O ATOM 1659 CB ILE A 108 31.300 -19.445 -7.006 1.00 0.00 C ATOM 1660 CG1 ILE A 108 31.234 -18.055 -6.360 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.697 -20.478 -5.950 1.00 0.00 C ATOM 1662 CD1 ILE A 108 32.625 -17.612 -5.877 1.00 0.00 C ATOM 0 H ILE A 108 31.187 -17.828 -8.859 1.00 0.00 H new ATOM 0 HA ILE A 108 33.323 -19.277 -7.716 1.00 0.00 H new ATOM 0 HB ILE A 108 30.324 -19.705 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 108 30.846 -17.333 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.540 -18.072 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.959 -20.480 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.740 -21.467 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 108 32.675 -20.224 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 108 32.555 -16.624 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 108 32.999 -18.324 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 108 33.309 -17.574 -6.725 1.00 0.00 H new ATOM 1674 N ILE A 109 31.326 -20.953 -9.726 1.00 0.00 N ATOM 1675 CA ILE A 109 31.202 -22.194 -10.475 1.00 0.00 C ATOM 1676 C ILE A 109 32.428 -22.403 -11.363 1.00 0.00 C ATOM 1677 O ILE A 109 32.953 -23.512 -11.457 1.00 0.00 O ATOM 1678 CB ILE A 109 29.941 -22.160 -11.344 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.704 -22.179 -10.441 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.912 -23.384 -12.267 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.455 -21.889 -11.275 1.00 0.00 C ATOM 0 H ILE A 109 30.606 -20.260 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 109 31.130 -23.019 -9.767 1.00 0.00 H new ATOM 0 HB ILE A 109 29.945 -21.253 -11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.611 -23.150 -9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.807 -21.435 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.013 -23.354 -12.883 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.792 -23.376 -12.910 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.910 -24.293 -11.666 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.576 -21.903 -10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.548 -20.908 -11.741 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.350 -22.649 -12.049 1.00 0.00 H new ATOM 1693 N ILE A 110 32.871 -21.336 -12.017 1.00 0.00 N ATOM 1694 CA ILE A 110 34.029 -21.429 -12.896 1.00 0.00 C ATOM 1695 C ILE A 110 35.271 -21.823 -12.104 1.00 0.00 C ATOM 1696 O ILE A 110 36.044 -22.681 -12.531 1.00 0.00 O ATOM 1697 CB ILE A 110 34.262 -20.079 -13.586 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.110 -19.799 -14.555 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.583 -20.115 -14.362 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.173 -18.340 -15.011 1.00 0.00 C ATOM 0 H ILE A 110 32.452 -20.408 -11.957 1.00 0.00 H new ATOM 0 HA ILE A 110 33.837 -22.195 -13.648 1.00 0.00 H new ATOM 0 HB ILE A 110 34.308 -19.292 -12.833 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.175 -20.464 -15.416 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.155 -19.999 -14.069 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.744 -19.154 -14.850 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.404 -20.314 -13.673 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.541 -20.902 -15.115 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.354 -18.139 -15.701 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.087 -17.684 -14.145 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.123 -18.156 -15.513 1.00 0.00 H new ATOM 1712 N ILE A 111 35.460 -21.191 -10.953 1.00 0.00 N ATOM 1713 CA ILE A 111 36.617 -21.491 -10.116 1.00 0.00 C ATOM 1714 C ILE A 111 36.549 -22.919 -9.593 1.00 0.00 C ATOM 1715 O ILE A 111 37.545 -23.642 -9.610 1.00 0.00 O ATOM 1716 CB ILE A 111 36.677 -20.508 -8.938 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.972 -19.093 -9.463 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.778 -20.929 -7.960 1.00 0.00 C ATOM 1719 CD1 ILE A 111 38.338 -19.029 -10.179 1.00 0.00 C ATOM 0 H ILE A 111 34.836 -20.476 -10.580 1.00 0.00 H new ATOM 0 HA ILE A 111 37.517 -21.387 -10.722 1.00 0.00 H new ATOM 0 HB ILE A 111 35.718 -20.514 -8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 111 36.184 -18.788 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.961 -18.386 -8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.813 -20.226 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.566 -21.929 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.739 -20.932 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 111 38.514 -18.015 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 111 39.128 -19.310 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.338 -19.717 -11.024 1.00 0.00 H new ATOM 1731 N VAL A 112 35.374 -23.316 -9.132 1.00 0.00 N ATOM 1732 CA VAL A 112 35.186 -24.655 -8.604 1.00 0.00 C ATOM 1733 C VAL A 112 35.320 -25.683 -9.720 1.00 0.00 C ATOM 1734 O VAL A 112 35.949 -26.727 -9.545 1.00 0.00 O ATOM 1735 CB VAL A 112 33.809 -24.769 -7.944 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.553 -26.221 -7.539 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.766 -23.878 -6.699 1.00 0.00 C ATOM 0 H VAL A 112 34.539 -22.731 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 112 35.954 -24.850 -7.855 1.00 0.00 H new ATOM 0 HB VAL A 112 33.042 -24.449 -8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.573 -26.300 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.584 -26.856 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.320 -26.543 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.786 -23.958 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.534 -24.199 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.947 -22.842 -6.986 1.00 0.00 H new ATOM 1747 N TYR A 113 34.719 -25.378 -10.864 1.00 0.00 N ATOM 1748 CA TYR A 113 34.767 -26.285 -12.000 1.00 0.00 C ATOM 1749 C TYR A 113 36.200 -26.493 -12.461 1.00 0.00 C ATOM 1750 O TYR A 113 36.599 -27.598 -12.810 1.00 0.00 O ATOM 1751 CB TYR A 113 33.921 -25.735 -13.153 1.00 0.00 C ATOM 1752 CG TYR A 113 34.012 -26.669 -14.336 1.00 0.00 C ATOM 1753 CD1 TYR A 113 33.198 -27.808 -14.392 1.00 0.00 C ATOM 1754 CD2 TYR A 113 34.905 -26.395 -15.378 1.00 0.00 C ATOM 1755 CE1 TYR A 113 33.280 -28.675 -15.490 1.00 0.00 C ATOM 1756 CE2 TYR A 113 34.988 -27.261 -16.475 1.00 0.00 C ATOM 1757 CZ TYR A 113 34.175 -28.400 -16.532 1.00 0.00 C ATOM 1758 OH TYR A 113 34.256 -29.252 -17.614 1.00 0.00 O ATOM 0 H TYR A 113 34.197 -24.517 -11.027 1.00 0.00 H new ATOM 0 HA TYR A 113 34.360 -27.247 -11.687 1.00 0.00 H new ATOM 0 HB2 TYR A 113 32.883 -25.630 -12.838 1.00 0.00 H new ATOM 0 HB3 TYR A 113 34.271 -24.741 -13.433 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.507 -28.018 -13.589 1.00 0.00 H new ATOM 0 HD2 TYR A 113 35.530 -25.515 -15.336 1.00 0.00 H new ATOM 0 HE1 TYR A 113 32.654 -29.554 -15.533 1.00 0.00 H new ATOM 0 HE2 TYR A 113 35.679 -27.051 -17.278 1.00 0.00 H new ATOM 0 HH TYR A 113 34.924 -28.915 -18.246 1.00 0.00 H new ATOM 1768 N PHE A 114 36.966 -25.419 -12.462 1.00 0.00 N ATOM 1769 CA PHE A 114 38.363 -25.485 -12.878 1.00 0.00 C ATOM 1770 C PHE A 114 39.164 -26.375 -11.933 1.00 0.00 C ATOM 1771 O PHE A 114 40.009 -27.161 -12.365 1.00 0.00 O ATOM 1772 CB PHE A 114 38.971 -24.083 -12.917 1.00 0.00 C ATOM 1773 CG PHE A 114 40.354 -24.150 -13.527 1.00 0.00 C ATOM 1774 CD1 PHE A 114 40.502 -24.269 -14.915 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.487 -24.093 -12.706 1.00 0.00 C ATOM 1776 CE1 PHE A 114 41.782 -24.329 -15.482 1.00 0.00 C ATOM 1777 CE2 PHE A 114 42.766 -24.154 -13.273 1.00 0.00 C ATOM 1778 CZ PHE A 114 42.913 -24.272 -14.661 1.00 0.00 C ATOM 0 H PHE A 114 36.650 -24.491 -12.181 1.00 0.00 H new ATOM 0 HA PHE A 114 38.402 -25.916 -13.878 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.336 -23.416 -13.500 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.026 -23.671 -11.910 1.00 0.00 H new ATOM 0 HD1 PHE A 114 39.629 -24.315 -15.549 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.374 -24.002 -11.636 1.00 0.00 H new ATOM 0 HE1 PHE A 114 41.895 -24.419 -16.552 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.640 -24.110 -12.640 1.00 0.00 H new ATOM 0 HZ PHE A 114 43.900 -24.319 -15.097 1.00 0.00 H new ATOM 1788 N SER A 115 38.898 -26.232 -10.644 1.00 0.00 N ATOM 1789 CA SER A 115 39.597 -27.012 -9.632 1.00 0.00 C ATOM 1790 C SER A 115 39.239 -28.486 -9.739 1.00 0.00 C ATOM 1791 O SER A 115 39.960 -29.345 -9.229 1.00 0.00 O ATOM 1792 CB SER A 115 39.248 -26.506 -8.233 1.00 0.00 C ATOM 1793 OG SER A 115 39.987 -27.244 -7.269 1.00 0.00 O ATOM 0 H SER A 115 38.204 -25.584 -10.273 1.00 0.00 H new ATOM 0 HA SER A 115 40.667 -26.896 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 115 39.479 -25.444 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 115 38.179 -26.615 -8.050 1.00 0.00 H new ATOM 0 HG SER A 115 39.767 -26.921 -6.370 1.00 0.00 H new ATOM 1799 N THR A 116 38.124 -28.774 -10.403 1.00 0.00 N ATOM 1800 CA THR A 116 37.678 -30.156 -10.570 1.00 0.00 C ATOM 1801 C THR A 116 38.864 -31.084 -10.844 1.00 0.00 C ATOM 1802 O THR A 116 39.684 -30.730 -11.675 1.00 0.00 O ATOM 1803 CB THR A 116 36.680 -30.245 -11.731 1.00 0.00 C ATOM 1804 OG1 THR A 116 36.045 -31.514 -11.707 1.00 0.00 O ATOM 1805 CG2 THR A 116 37.415 -30.064 -13.067 1.00 0.00 C ATOM 1806 OXT THR A 116 38.931 -32.131 -10.223 1.00 0.00 O ATOM 0 H THR A 116 37.516 -28.076 -10.832 1.00 0.00 H new ATOM 0 HA THR A 116 37.195 -30.472 -9.645 1.00 0.00 H new ATOM 0 HB THR A 116 35.933 -29.458 -11.626 1.00 0.00 H new ATOM 0 HG1 THR A 116 35.405 -31.574 -12.447 1.00 0.00 H new ATOM 0 HG21 THR A 116 36.700 -30.128 -13.887 1.00 0.00 H new ATOM 0 HG22 THR A 116 37.902 -29.089 -13.085 1.00 0.00 H new ATOM 0 HG23 THR A 116 38.166 -30.846 -13.178 1.00 0.00 H new TER 1814 THR A 116