USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Set 2.1: A 26 ASN : amide:sc= -2.86! K(o=-1.9!,f=-1.1) USER MOD Set 2.2: A 33 THR OG1 : rot 86:sc= 0.934 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc=-0.00622 (180deg=-0.308) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.5) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.13) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.207) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 47 CYS SG : rot 47:sc= 0.242 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -169:sc= -0.552 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 59 TYR OH : rot 93:sc= 0.235 USER MOD Single : A 62 TYR OH : rot 10:sc= 1.23 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.479 (180deg=-1.54) USER MOD Single : A 69 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-0.9) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.086 -11.123 19.217 1.00 0.00 N ATOM 2 CA MET A 1 55.253 -10.336 19.712 1.00 0.00 C ATOM 3 C MET A 1 56.483 -10.696 18.887 1.00 0.00 C ATOM 4 O MET A 1 57.251 -9.820 18.491 1.00 0.00 O ATOM 5 CB MET A 1 55.510 -10.664 21.193 1.00 0.00 C ATOM 6 CG MET A 1 54.414 -10.056 22.089 1.00 0.00 C ATOM 7 SD MET A 1 54.585 -10.699 23.779 1.00 0.00 S ATOM 8 CE MET A 1 55.613 -9.385 24.493 1.00 0.00 C ATOM 0 H1 MET A 1 53.205 -10.691 19.561 1.00 0.00 H new ATOM 0 H2 MET A 1 54.086 -11.127 18.177 1.00 0.00 H new ATOM 0 H3 MET A 1 54.152 -12.100 19.567 1.00 0.00 H new ATOM 0 HA MET A 1 55.044 -9.271 19.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 55.539 -11.745 21.330 1.00 0.00 H new ATOM 0 HB3 MET A 1 56.485 -10.278 21.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 54.494 -8.969 22.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 53.429 -10.302 21.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 55.821 -9.613 25.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 56.551 -9.318 23.943 1.00 0.00 H new ATOM 0 HE3 MET A 1 55.085 -8.434 24.427 1.00 0.00 H new ATOM 20 N GLY A 2 56.661 -11.990 18.635 1.00 0.00 N ATOM 21 CA GLY A 2 57.801 -12.459 17.856 1.00 0.00 C ATOM 22 C GLY A 2 59.092 -12.346 18.659 1.00 0.00 C ATOM 23 O GLY A 2 60.181 -12.260 18.087 1.00 0.00 O ATOM 0 H GLY A 2 56.034 -12.728 18.957 1.00 0.00 H new ATOM 0 HA2 GLY A 2 57.642 -13.496 17.559 1.00 0.00 H new ATOM 0 HA3 GLY A 2 57.886 -11.875 16.940 1.00 0.00 H new ATOM 27 N ALA A 3 58.955 -12.343 19.988 1.00 0.00 N ATOM 28 CA ALA A 3 60.109 -12.238 20.886 1.00 0.00 C ATOM 29 C ALA A 3 59.747 -12.702 22.312 1.00 0.00 C ATOM 30 O ALA A 3 59.669 -11.875 23.215 1.00 0.00 O ATOM 31 CB ALA A 3 60.589 -10.780 20.930 1.00 0.00 C ATOM 0 H ALA A 3 58.057 -12.412 20.466 1.00 0.00 H new ATOM 0 HA ALA A 3 60.901 -12.883 20.506 1.00 0.00 H new ATOM 0 HB1 ALA A 3 61.447 -10.699 21.597 1.00 0.00 H new ATOM 0 HB2 ALA A 3 60.877 -10.461 19.928 1.00 0.00 H new ATOM 0 HB3 ALA A 3 59.784 -10.143 21.296 1.00 0.00 H new ATOM 37 N PRO A 4 59.530 -13.993 22.559 1.00 0.00 N ATOM 38 CA PRO A 4 59.198 -14.476 23.939 1.00 0.00 C ATOM 39 C PRO A 4 60.321 -14.177 24.940 1.00 0.00 C ATOM 40 O PRO A 4 61.490 -14.111 24.553 1.00 0.00 O ATOM 41 CB PRO A 4 59.011 -15.991 23.793 1.00 0.00 C ATOM 42 CG PRO A 4 58.887 -16.269 22.336 1.00 0.00 C ATOM 43 CD PRO A 4 59.560 -15.118 21.594 1.00 0.00 C ATOM 0 HA PRO A 4 58.311 -13.974 24.326 1.00 0.00 H new ATOM 0 HB2 PRO A 4 59.859 -16.528 24.219 1.00 0.00 H new ATOM 0 HB3 PRO A 4 58.121 -16.324 24.328 1.00 0.00 H new ATOM 0 HG2 PRO A 4 59.361 -17.218 22.084 1.00 0.00 H new ATOM 0 HG3 PRO A 4 57.839 -16.351 22.048 1.00 0.00 H new ATOM 0 HD2 PRO A 4 60.581 -15.371 21.310 1.00 0.00 H new ATOM 0 HD3 PRO A 4 59.026 -14.870 20.677 1.00 0.00 H new ATOM 51 N VAL A 5 59.934 -13.998 26.219 1.00 0.00 N ATOM 52 CA VAL A 5 60.878 -13.703 27.318 1.00 0.00 C ATOM 53 C VAL A 5 60.444 -14.469 28.600 1.00 0.00 C ATOM 54 O VAL A 5 59.959 -13.847 29.547 1.00 0.00 O ATOM 55 CB VAL A 5 60.870 -12.162 27.592 1.00 0.00 C ATOM 56 CG1 VAL A 5 61.838 -11.750 28.724 1.00 0.00 C ATOM 57 CG2 VAL A 5 61.243 -11.371 26.327 1.00 0.00 C ATOM 0 H VAL A 5 58.961 -14.053 26.520 1.00 0.00 H new ATOM 0 HA VAL A 5 61.882 -14.021 27.039 1.00 0.00 H new ATOM 0 HB VAL A 5 59.852 -11.925 27.901 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.790 -10.671 28.869 1.00 0.00 H new ATOM 0 HG12 VAL A 5 61.553 -12.254 29.648 1.00 0.00 H new ATOM 0 HG13 VAL A 5 62.855 -12.035 28.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.229 -10.304 26.548 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.241 -11.660 25.998 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.524 -11.587 25.537 1.00 0.00 H new ATOM 67 N PRO A 6 60.590 -15.797 28.667 1.00 0.00 N ATOM 68 CA PRO A 6 60.186 -16.572 29.888 1.00 0.00 C ATOM 69 C PRO A 6 60.874 -16.072 31.158 1.00 0.00 C ATOM 70 O PRO A 6 60.243 -15.948 32.207 1.00 0.00 O ATOM 71 CB PRO A 6 60.620 -18.012 29.595 1.00 0.00 C ATOM 72 CG PRO A 6 60.789 -18.099 28.119 1.00 0.00 C ATOM 73 CD PRO A 6 61.136 -16.699 27.626 1.00 0.00 C ATOM 0 HA PRO A 6 59.117 -16.469 30.073 1.00 0.00 H new ATOM 0 HB2 PRO A 6 61.551 -18.251 30.109 1.00 0.00 H new ATOM 0 HB3 PRO A 6 59.872 -18.723 29.944 1.00 0.00 H new ATOM 0 HG2 PRO A 6 61.579 -18.805 27.862 1.00 0.00 H new ATOM 0 HG3 PRO A 6 59.875 -18.458 27.647 1.00 0.00 H new ATOM 0 HD2 PRO A 6 62.213 -16.572 27.515 1.00 0.00 H new ATOM 0 HD3 PRO A 6 60.689 -16.498 26.652 1.00 0.00 H new ATOM 81 N TYR A 7 62.171 -15.790 31.043 1.00 0.00 N ATOM 82 CA TYR A 7 62.950 -15.306 32.183 1.00 0.00 C ATOM 83 C TYR A 7 62.579 -13.833 32.483 1.00 0.00 C ATOM 84 O TYR A 7 62.208 -13.124 31.548 1.00 0.00 O ATOM 85 CB TYR A 7 64.443 -15.400 31.851 1.00 0.00 C ATOM 86 CG TYR A 7 64.942 -16.821 32.141 1.00 0.00 C ATOM 87 CD1 TYR A 7 64.727 -17.830 31.190 1.00 0.00 C ATOM 88 CD2 TYR A 7 65.605 -17.114 33.336 1.00 0.00 C ATOM 89 CE1 TYR A 7 65.176 -19.129 31.442 1.00 0.00 C ATOM 90 CE2 TYR A 7 66.056 -18.413 33.586 1.00 0.00 C ATOM 91 CZ TYR A 7 65.841 -19.421 32.638 1.00 0.00 C ATOM 92 OH TYR A 7 66.284 -20.706 32.885 1.00 0.00 O ATOM 0 H TYR A 7 62.702 -15.887 30.178 1.00 0.00 H new ATOM 0 HA TYR A 7 62.729 -15.916 33.059 1.00 0.00 H new ATOM 0 HB2 TYR A 7 64.610 -15.151 30.803 1.00 0.00 H new ATOM 0 HB3 TYR A 7 65.005 -14.678 32.444 1.00 0.00 H new ATOM 0 HD1 TYR A 7 64.216 -17.603 30.266 1.00 0.00 H new ATOM 0 HD2 TYR A 7 65.769 -16.336 34.067 1.00 0.00 H new ATOM 0 HE1 TYR A 7 65.010 -19.908 30.713 1.00 0.00 H new ATOM 0 HE2 TYR A 7 66.570 -18.639 34.509 1.00 0.00 H new ATOM 0 HH TYR A 7 66.726 -20.737 33.759 1.00 0.00 H new ATOM 102 N PRO A 8 62.666 -13.325 33.719 1.00 0.00 N ATOM 103 CA PRO A 8 62.314 -11.894 33.996 1.00 0.00 C ATOM 104 C PRO A 8 63.382 -10.923 33.507 1.00 0.00 C ATOM 105 O PRO A 8 63.211 -9.707 33.604 1.00 0.00 O ATOM 106 CB PRO A 8 62.182 -11.831 35.517 1.00 0.00 C ATOM 107 CG PRO A 8 63.090 -12.894 36.026 1.00 0.00 C ATOM 108 CD PRO A 8 63.085 -14.007 34.976 1.00 0.00 C ATOM 0 HA PRO A 8 61.405 -11.599 33.472 1.00 0.00 H new ATOM 0 HB2 PRO A 8 62.469 -10.851 35.898 1.00 0.00 H new ATOM 0 HB3 PRO A 8 61.153 -12.007 35.832 1.00 0.00 H new ATOM 0 HG2 PRO A 8 64.097 -12.505 36.175 1.00 0.00 H new ATOM 0 HG3 PRO A 8 62.747 -13.269 36.990 1.00 0.00 H new ATOM 0 HD2 PRO A 8 64.071 -14.461 34.873 1.00 0.00 H new ATOM 0 HD3 PRO A 8 62.393 -14.805 35.245 1.00 0.00 H new ATOM 116 N ASP A 9 64.468 -11.490 32.974 1.00 0.00 N ATOM 117 CA ASP A 9 65.607 -10.723 32.442 1.00 0.00 C ATOM 118 C ASP A 9 66.070 -9.639 33.442 1.00 0.00 C ATOM 119 O ASP A 9 65.788 -8.461 33.221 1.00 0.00 O ATOM 120 CB ASP A 9 65.233 -10.061 31.109 1.00 0.00 C ATOM 121 CG ASP A 9 64.972 -11.118 30.038 1.00 0.00 C ATOM 122 OD1 ASP A 9 64.723 -12.259 30.396 1.00 0.00 O ATOM 123 OD2 ASP A 9 64.994 -10.757 28.872 1.00 0.00 O ATOM 0 H ASP A 9 64.586 -12.500 32.897 1.00 0.00 H new ATOM 0 HA ASP A 9 66.428 -11.423 32.282 1.00 0.00 H new ATOM 0 HB2 ASP A 9 64.345 -9.442 31.241 1.00 0.00 H new ATOM 0 HB3 ASP A 9 66.038 -9.400 30.787 1.00 0.00 H new ATOM 128 N PRO A 10 66.748 -9.987 34.540 1.00 0.00 N ATOM 129 CA PRO A 10 67.205 -8.969 35.543 1.00 0.00 C ATOM 130 C PRO A 10 68.077 -7.899 34.907 1.00 0.00 C ATOM 131 O PRO A 10 68.062 -6.739 35.317 1.00 0.00 O ATOM 132 CB PRO A 10 68.030 -9.763 36.556 1.00 0.00 C ATOM 133 CG PRO A 10 67.608 -11.181 36.401 1.00 0.00 C ATOM 134 CD PRO A 10 67.155 -11.349 34.955 1.00 0.00 C ATOM 0 HA PRO A 10 66.356 -8.451 35.988 1.00 0.00 H new ATOM 0 HB2 PRO A 10 69.097 -9.650 36.366 1.00 0.00 H new ATOM 0 HB3 PRO A 10 67.848 -9.410 37.571 1.00 0.00 H new ATOM 0 HG2 PRO A 10 68.432 -11.857 36.629 1.00 0.00 H new ATOM 0 HG3 PRO A 10 66.799 -11.421 37.090 1.00 0.00 H new ATOM 0 HD2 PRO A 10 67.960 -11.732 34.328 1.00 0.00 H new ATOM 0 HD3 PRO A 10 66.327 -12.053 34.877 1.00 0.00 H new ATOM 142 N LEU A 11 68.850 -8.314 33.916 1.00 0.00 N ATOM 143 CA LEU A 11 69.742 -7.398 33.219 1.00 0.00 C ATOM 144 C LEU A 11 68.945 -6.377 32.401 1.00 0.00 C ATOM 145 O LEU A 11 69.311 -5.201 32.396 1.00 0.00 O ATOM 146 CB LEU A 11 70.702 -8.166 32.276 1.00 0.00 C ATOM 147 CG LEU A 11 71.427 -9.368 32.981 1.00 0.00 C ATOM 148 CD1 LEU A 11 72.441 -10.022 32.024 1.00 0.00 C ATOM 149 CD2 LEU A 11 72.195 -8.938 34.248 1.00 0.00 C ATOM 0 H LEU A 11 68.879 -9.275 33.576 1.00 0.00 H new ATOM 0 HA LEU A 11 70.327 -6.876 33.976 1.00 0.00 H new ATOM 0 HB2 LEU A 11 70.139 -8.540 31.421 1.00 0.00 H new ATOM 0 HB3 LEU A 11 71.450 -7.475 31.888 1.00 0.00 H new ATOM 0 HG LEU A 11 70.641 -10.069 33.263 1.00 0.00 H new ATOM 0 HD11 LEU A 11 72.934 -10.853 32.529 1.00 0.00 H new ATOM 0 HD12 LEU A 11 71.921 -10.391 31.140 1.00 0.00 H new ATOM 0 HD13 LEU A 11 73.187 -9.285 31.725 1.00 0.00 H new ATOM 0 HD21 LEU A 11 72.677 -9.808 34.694 1.00 0.00 H new ATOM 0 HD22 LEU A 11 72.952 -8.201 33.982 1.00 0.00 H new ATOM 0 HD23 LEU A 11 71.499 -8.501 34.964 1.00 0.00 H new ATOM 161 N GLU A 12 67.874 -6.864 31.723 1.00 0.00 N ATOM 162 CA GLU A 12 66.977 -6.046 30.852 1.00 0.00 C ATOM 163 C GLU A 12 67.712 -4.848 30.194 1.00 0.00 C ATOM 164 O GLU A 12 67.482 -3.698 30.574 1.00 0.00 O ATOM 165 CB GLU A 12 65.710 -5.574 31.621 1.00 0.00 C ATOM 166 CG GLU A 12 66.043 -5.059 33.026 1.00 0.00 C ATOM 167 CD GLU A 12 64.850 -4.308 33.610 1.00 0.00 C ATOM 168 OE1 GLU A 12 64.660 -3.158 33.251 1.00 0.00 O ATOM 169 OE2 GLU A 12 64.171 -4.885 34.444 1.00 0.00 O ATOM 0 H GLU A 12 67.602 -7.846 31.763 1.00 0.00 H new ATOM 0 HA GLU A 12 66.655 -6.701 30.042 1.00 0.00 H new ATOM 0 HB2 GLU A 12 65.216 -4.785 31.054 1.00 0.00 H new ATOM 0 HB3 GLU A 12 65.004 -6.401 31.697 1.00 0.00 H new ATOM 0 HG2 GLU A 12 66.308 -5.895 33.674 1.00 0.00 H new ATOM 0 HG3 GLU A 12 66.911 -4.401 32.983 1.00 0.00 H new ATOM 176 N PRO A 13 68.614 -5.069 29.233 1.00 0.00 N ATOM 177 CA PRO A 13 69.359 -3.940 28.590 1.00 0.00 C ATOM 178 C PRO A 13 68.427 -2.910 27.954 1.00 0.00 C ATOM 179 O PRO A 13 67.394 -3.257 27.381 1.00 0.00 O ATOM 180 CB PRO A 13 70.221 -4.600 27.511 1.00 0.00 C ATOM 181 CG PRO A 13 70.288 -6.048 27.857 1.00 0.00 C ATOM 182 CD PRO A 13 69.035 -6.374 28.663 1.00 0.00 C ATOM 0 HA PRO A 13 69.942 -3.393 29.331 1.00 0.00 H new ATOM 0 HB2 PRO A 13 69.784 -4.456 26.523 1.00 0.00 H new ATOM 0 HB3 PRO A 13 71.218 -4.160 27.486 1.00 0.00 H new ATOM 0 HG2 PRO A 13 70.335 -6.658 26.955 1.00 0.00 H new ATOM 0 HG3 PRO A 13 71.186 -6.265 28.436 1.00 0.00 H new ATOM 0 HD2 PRO A 13 68.256 -6.802 28.032 1.00 0.00 H new ATOM 0 HD3 PRO A 13 69.245 -7.101 29.447 1.00 0.00 H new ATOM 190 N ARG A 14 68.808 -1.644 28.065 1.00 0.00 N ATOM 191 CA ARG A 14 68.009 -0.563 27.506 1.00 0.00 C ATOM 192 C ARG A 14 67.941 -0.704 25.990 1.00 0.00 C ATOM 193 O ARG A 14 66.902 -0.452 25.380 1.00 0.00 O ATOM 194 CB ARG A 14 68.636 0.799 27.864 1.00 0.00 C ATOM 195 CG ARG A 14 68.482 1.092 29.379 1.00 0.00 C ATOM 196 CD ARG A 14 69.214 2.389 29.770 1.00 0.00 C ATOM 197 NE ARG A 14 69.002 2.657 31.188 1.00 0.00 N ATOM 198 CZ ARG A 14 69.566 3.694 31.794 1.00 0.00 C ATOM 199 NH1 ARG A 14 70.313 4.519 31.109 1.00 0.00 N ATOM 200 NH2 ARG A 14 69.387 3.879 33.069 1.00 0.00 N ATOM 0 H ARG A 14 69.661 -1.342 28.535 1.00 0.00 H new ATOM 0 HA ARG A 14 67.004 -0.617 27.924 1.00 0.00 H new ATOM 0 HB2 ARG A 14 69.692 0.801 27.594 1.00 0.00 H new ATOM 0 HB3 ARG A 14 68.157 1.589 27.285 1.00 0.00 H new ATOM 0 HG2 ARG A 14 67.425 1.177 29.630 1.00 0.00 H new ATOM 0 HG3 ARG A 14 68.880 0.258 29.956 1.00 0.00 H new ATOM 0 HD2 ARG A 14 70.280 2.295 29.562 1.00 0.00 H new ATOM 0 HD3 ARG A 14 68.845 3.222 29.172 1.00 0.00 H new ATOM 0 HE ARG A 14 68.405 2.031 31.728 1.00 0.00 H new ATOM 0 HH11 ARG A 14 70.461 4.365 30.112 1.00 0.00 H new ATOM 0 HH12 ARG A 14 70.748 5.317 31.572 1.00 0.00 H new ATOM 0 HH21 ARG A 14 68.813 3.227 33.603 1.00 0.00 H new ATOM 0 HH22 ARG A 14 69.821 4.676 33.534 1.00 0.00 H new ATOM 214 N GLY A 15 69.060 -1.105 25.391 1.00 0.00 N ATOM 215 CA GLY A 15 69.121 -1.275 23.946 1.00 0.00 C ATOM 216 C GLY A 15 68.861 0.050 23.246 1.00 0.00 C ATOM 217 O GLY A 15 69.478 1.065 23.567 1.00 0.00 O ATOM 0 H GLY A 15 69.929 -1.316 25.881 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.100 -1.659 23.659 1.00 0.00 H new ATOM 0 HA3 GLY A 15 68.384 -2.012 23.629 1.00 0.00 H new ATOM 221 N GLY A 16 67.939 0.035 22.295 1.00 0.00 N ATOM 222 CA GLY A 16 67.600 1.247 21.566 1.00 0.00 C ATOM 223 C GLY A 16 66.403 1.018 20.662 1.00 0.00 C ATOM 224 O GLY A 16 66.027 1.910 19.904 1.00 0.00 O ATOM 0 H GLY A 16 67.417 -0.794 22.012 1.00 0.00 H new ATOM 0 HA2 GLY A 16 67.381 2.050 22.270 1.00 0.00 H new ATOM 0 HA3 GLY A 16 68.454 1.569 20.970 1.00 0.00 H new ATOM 228 N LYS A 17 65.815 -0.183 20.761 1.00 0.00 N ATOM 229 CA LYS A 17 64.647 -0.561 19.956 1.00 0.00 C ATOM 230 C LYS A 17 64.902 -0.296 18.486 1.00 0.00 C ATOM 231 O LYS A 17 64.483 0.713 17.937 1.00 0.00 O ATOM 232 CB LYS A 17 63.379 0.187 20.415 1.00 0.00 C ATOM 233 CG LYS A 17 63.088 -0.092 21.916 1.00 0.00 C ATOM 234 CD LYS A 17 63.345 1.173 22.774 1.00 0.00 C ATOM 235 CE LYS A 17 63.090 0.900 24.267 1.00 0.00 C ATOM 236 NZ LYS A 17 63.362 2.151 25.029 1.00 0.00 N ATOM 0 H LYS A 17 66.134 -0.914 21.397 1.00 0.00 H new ATOM 0 HA LYS A 17 64.482 -1.629 20.100 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.506 1.258 20.257 1.00 0.00 H new ATOM 0 HB3 LYS A 17 62.528 -0.126 19.810 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.054 -0.414 22.036 1.00 0.00 H new ATOM 0 HG3 LYS A 17 63.719 -0.909 22.267 1.00 0.00 H new ATOM 0 HD2 LYS A 17 64.373 1.507 22.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.698 1.982 22.435 1.00 0.00 H new ATOM 0 HE2 LYS A 17 62.060 0.578 24.423 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.733 0.094 24.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.194 1.984 26.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.351 2.437 24.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.731 2.906 24.693 1.00 0.00 H new ATOM 250 N HIS A 18 65.633 -1.220 17.887 1.00 0.00 N ATOM 251 CA HIS A 18 66.025 -1.141 16.457 1.00 0.00 C ATOM 252 C HIS A 18 64.849 -0.750 15.540 1.00 0.00 C ATOM 253 O HIS A 18 65.068 -0.156 14.488 1.00 0.00 O ATOM 254 CB HIS A 18 66.570 -2.505 15.982 1.00 0.00 C ATOM 255 CG HIS A 18 67.757 -2.369 15.025 1.00 0.00 C ATOM 256 ND1 HIS A 18 68.766 -3.306 15.011 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.101 -1.424 14.099 1.00 0.00 C ATOM 258 CE1 HIS A 18 69.671 -2.900 14.105 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.311 -1.745 13.512 1.00 0.00 N ATOM 0 H HIS A 18 65.980 -2.053 18.363 1.00 0.00 H new ATOM 0 HA HIS A 18 66.789 -0.366 16.388 1.00 0.00 H new ATOM 0 HB2 HIS A 18 66.874 -3.092 16.849 1.00 0.00 H new ATOM 0 HB3 HIS A 18 65.772 -3.058 15.487 1.00 0.00 H new ATOM 0 HD1 HIS A 18 68.817 -4.150 15.582 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.512 -0.551 13.860 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.581 -3.437 13.879 1.00 0.00 H new ATOM 266 N ILE A 19 63.616 -1.057 15.978 1.00 0.00 N ATOM 267 CA ILE A 19 62.395 -0.728 15.225 1.00 0.00 C ATOM 268 C ILE A 19 61.698 0.457 15.887 1.00 0.00 C ATOM 269 O ILE A 19 61.165 0.331 16.991 1.00 0.00 O ATOM 270 CB ILE A 19 61.438 -1.956 15.183 1.00 0.00 C ATOM 271 CG1 ILE A 19 62.051 -3.075 14.296 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.044 -1.566 14.604 1.00 0.00 C ATOM 273 CD1 ILE A 19 61.565 -4.465 14.747 1.00 0.00 C ATOM 0 H ILE A 19 63.439 -1.538 16.860 1.00 0.00 H new ATOM 0 HA ILE A 19 62.664 -0.466 14.202 1.00 0.00 H new ATOM 0 HB ILE A 19 61.310 -2.312 16.205 1.00 0.00 H new ATOM 0 HG12 ILE A 19 61.776 -2.910 13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 19 63.139 -3.031 14.349 1.00 0.00 H new ATOM 0 HG21 ILE A 19 59.398 -2.444 14.587 1.00 0.00 H new ATOM 0 HG22 ILE A 19 59.593 -0.796 15.229 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.165 -1.185 13.590 1.00 0.00 H new ATOM 0 HD11 ILE A 19 62.009 -5.230 14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 19 61.863 -4.637 15.781 1.00 0.00 H new ATOM 0 HD13 ILE A 19 60.479 -4.514 14.669 1.00 0.00 H new ATOM 285 N CYS A 20 61.677 1.591 15.190 1.00 0.00 N ATOM 286 CA CYS A 20 61.005 2.778 15.713 1.00 0.00 C ATOM 287 C CYS A 20 59.492 2.538 15.656 1.00 0.00 C ATOM 288 O CYS A 20 59.023 1.776 14.818 1.00 0.00 O ATOM 289 CB CYS A 20 61.406 4.011 14.887 1.00 0.00 C ATOM 290 SG CYS A 20 60.457 5.450 15.431 1.00 0.00 S ATOM 0 H CYS A 20 62.111 1.713 14.275 1.00 0.00 H new ATOM 0 HA CYS A 20 61.300 2.963 16.746 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.473 4.204 15.000 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.226 3.825 13.828 1.00 0.00 H new ATOM 295 N ALA A 21 58.737 3.168 16.556 1.00 0.00 N ATOM 296 CA ALA A 21 57.283 2.990 16.597 1.00 0.00 C ATOM 297 C ALA A 21 56.597 3.793 15.497 1.00 0.00 C ATOM 298 O ALA A 21 55.417 3.572 15.214 1.00 0.00 O ATOM 299 CB ALA A 21 56.752 3.457 17.952 1.00 0.00 C ATOM 0 H ALA A 21 59.105 3.804 17.264 1.00 0.00 H new ATOM 0 HA ALA A 21 57.067 1.933 16.445 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.670 3.325 17.984 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.213 2.869 18.746 1.00 0.00 H new ATOM 0 HB3 ALA A 21 56.993 4.510 18.094 1.00 0.00 H new ATOM 305 N ILE A 22 57.359 4.733 14.918 1.00 0.00 N ATOM 306 CA ILE A 22 56.882 5.638 13.855 1.00 0.00 C ATOM 307 C ILE A 22 57.630 5.351 12.546 1.00 0.00 C ATOM 308 O ILE A 22 57.080 4.742 11.629 1.00 0.00 O ATOM 309 CB ILE A 22 57.107 7.116 14.308 1.00 0.00 C ATOM 310 CG1 ILE A 22 56.147 7.465 15.481 1.00 0.00 C ATOM 311 CG2 ILE A 22 56.844 8.122 13.150 1.00 0.00 C ATOM 312 CD1 ILE A 22 56.755 8.549 16.393 1.00 0.00 C ATOM 0 H ILE A 22 58.333 4.890 15.175 1.00 0.00 H new ATOM 0 HA ILE A 22 55.819 5.476 13.679 1.00 0.00 H new ATOM 0 HB ILE A 22 58.148 7.200 14.621 1.00 0.00 H new ATOM 0 HG12 ILE A 22 55.194 7.813 15.083 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.941 6.568 16.065 1.00 0.00 H new ATOM 0 HG21 ILE A 22 57.011 9.139 13.506 1.00 0.00 H new ATOM 0 HG22 ILE A 22 57.522 7.911 12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 22 55.814 8.022 12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 22 56.062 8.773 17.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 57.696 8.189 16.809 1.00 0.00 H new ATOM 0 HD13 ILE A 22 56.937 9.453 15.812 1.00 0.00 H new ATOM 324 N CYS A 23 58.866 5.848 12.446 1.00 0.00 N ATOM 325 CA CYS A 23 59.678 5.710 11.236 1.00 0.00 C ATOM 326 C CYS A 23 60.003 4.264 10.901 1.00 0.00 C ATOM 327 O CYS A 23 60.546 3.982 9.832 1.00 0.00 O ATOM 328 CB CYS A 23 60.989 6.467 11.418 1.00 0.00 C ATOM 329 SG CYS A 23 60.738 7.922 12.468 1.00 0.00 S ATOM 0 H CYS A 23 59.330 6.356 13.199 1.00 0.00 H new ATOM 0 HA CYS A 23 59.090 6.119 10.414 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.736 5.811 11.866 1.00 0.00 H new ATOM 0 HB3 CYS A 23 61.377 6.774 10.447 1.00 0.00 H new ATOM 334 N GLY A 24 59.663 3.364 11.806 1.00 0.00 N ATOM 335 CA GLY A 24 59.902 1.954 11.602 1.00 0.00 C ATOM 336 C GLY A 24 61.355 1.559 11.832 1.00 0.00 C ATOM 337 O GLY A 24 61.609 0.376 12.006 1.00 0.00 O ATOM 0 H GLY A 24 59.217 3.591 12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 24 59.264 1.382 12.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.614 1.685 10.586 1.00 0.00 H new ATOM 341 N ASN A 25 62.318 2.521 11.805 1.00 0.00 N ATOM 342 CA ASN A 25 63.748 2.143 12.004 1.00 0.00 C ATOM 343 C ASN A 25 64.738 3.319 12.291 1.00 0.00 C ATOM 344 O ASN A 25 65.957 3.118 12.197 1.00 0.00 O ATOM 345 CB ASN A 25 64.216 1.334 10.760 1.00 0.00 C ATOM 346 CG ASN A 25 64.284 -0.152 11.096 1.00 0.00 C ATOM 347 OD1 ASN A 25 65.136 -0.574 11.884 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.445 -0.975 10.537 1.00 0.00 N ATOM 0 H ASN A 25 62.146 3.515 11.656 1.00 0.00 H new ATOM 0 HA ASN A 25 63.778 1.551 12.919 1.00 0.00 H new ATOM 0 HB2 ASN A 25 63.527 1.496 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 25 65.195 1.686 10.435 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.490 -1.972 10.749 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.742 -0.623 9.887 1.00 0.00 H new ATOM 355 N ASN A 26 64.252 4.506 12.701 1.00 0.00 N ATOM 356 CA ASN A 26 65.168 5.651 13.023 1.00 0.00 C ATOM 357 C ASN A 26 65.511 5.709 14.517 1.00 0.00 C ATOM 358 O ASN A 26 66.090 6.688 14.998 1.00 0.00 O ATOM 359 CB ASN A 26 64.563 6.976 12.554 1.00 0.00 C ATOM 360 CG ASN A 26 64.501 6.985 11.025 1.00 0.00 C ATOM 361 OD1 ASN A 26 64.994 7.917 10.391 1.00 0.00 O ATOM 362 ND2 ASN A 26 63.924 5.998 10.393 1.00 0.00 N ATOM 0 H ASN A 26 63.259 4.709 12.819 1.00 0.00 H new ATOM 0 HA ASN A 26 66.100 5.483 12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 26 63.564 7.102 12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 26 65.165 7.812 12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 26 63.882 6.000 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 26 63.515 5.225 10.919 1.00 0.00 H new ATOM 369 N ALA A 27 65.154 4.641 15.228 1.00 0.00 N ATOM 370 CA ALA A 27 65.400 4.531 16.665 1.00 0.00 C ATOM 371 C ALA A 27 66.778 3.913 16.929 1.00 0.00 C ATOM 372 O ALA A 27 66.907 2.817 17.478 1.00 0.00 O ATOM 373 CB ALA A 27 64.276 3.705 17.289 1.00 0.00 C ATOM 0 H ALA A 27 64.687 3.829 14.825 1.00 0.00 H new ATOM 0 HA ALA A 27 65.406 5.520 17.123 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.444 3.613 18.362 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.320 4.199 17.113 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.260 2.713 16.838 1.00 0.00 H new ATOM 379 N GLU A 28 67.812 4.648 16.529 1.00 0.00 N ATOM 380 CA GLU A 28 69.195 4.200 16.721 1.00 0.00 C ATOM 381 C GLU A 28 70.203 5.323 16.465 1.00 0.00 C ATOM 382 O GLU A 28 71.362 5.202 16.870 1.00 0.00 O ATOM 383 CB GLU A 28 69.534 3.003 15.812 1.00 0.00 C ATOM 384 CG GLU A 28 69.022 3.202 14.379 1.00 0.00 C ATOM 385 CD GLU A 28 69.617 2.131 13.475 1.00 0.00 C ATOM 386 OE1 GLU A 28 69.628 0.980 13.876 1.00 0.00 O ATOM 387 OE2 GLU A 28 69.996 2.469 12.366 1.00 0.00 O ATOM 0 H GLU A 28 67.723 5.555 16.071 1.00 0.00 H new ATOM 0 HA GLU A 28 69.271 3.892 17.764 1.00 0.00 H new ATOM 0 HB2 GLU A 28 70.614 2.857 15.793 1.00 0.00 H new ATOM 0 HB3 GLU A 28 69.097 2.096 16.230 1.00 0.00 H new ATOM 0 HG2 GLU A 28 67.934 3.146 14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 28 69.297 4.193 14.017 1.00 0.00 H new ATOM 394 N ASP A 29 69.757 6.388 15.775 1.00 0.00 N ATOM 395 CA ASP A 29 70.626 7.527 15.438 1.00 0.00 C ATOM 396 C ASP A 29 69.852 8.853 15.458 1.00 0.00 C ATOM 397 O ASP A 29 69.674 9.443 16.524 1.00 0.00 O ATOM 398 CB ASP A 29 71.262 7.294 14.058 1.00 0.00 C ATOM 399 CG ASP A 29 72.284 6.164 14.140 1.00 0.00 C ATOM 400 OD1 ASP A 29 73.331 6.386 14.732 1.00 0.00 O ATOM 401 OD2 ASP A 29 72.019 5.111 13.588 1.00 0.00 O ATOM 0 H ASP A 29 68.798 6.482 15.440 1.00 0.00 H new ATOM 0 HA ASP A 29 71.409 7.598 16.193 1.00 0.00 H new ATOM 0 HB2 ASP A 29 70.490 7.045 13.330 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.745 8.208 13.712 1.00 0.00 H new ATOM 406 N TYR A 30 69.407 9.317 14.279 1.00 0.00 N ATOM 407 CA TYR A 30 68.674 10.571 14.162 1.00 0.00 C ATOM 408 C TYR A 30 67.213 10.369 14.509 1.00 0.00 C ATOM 409 O TYR A 30 66.714 9.245 14.436 1.00 0.00 O ATOM 410 CB TYR A 30 68.791 11.092 12.731 1.00 0.00 C ATOM 411 CG TYR A 30 70.261 11.432 12.444 1.00 0.00 C ATOM 412 CD1 TYR A 30 70.759 12.695 12.793 1.00 0.00 C ATOM 413 CD2 TYR A 30 71.096 10.489 11.848 1.00 0.00 C ATOM 414 CE1 TYR A 30 72.104 13.004 12.541 1.00 0.00 C ATOM 415 CE2 TYR A 30 72.439 10.795 11.600 1.00 0.00 C ATOM 416 CZ TYR A 30 72.943 12.058 11.944 1.00 0.00 C ATOM 417 OH TYR A 30 74.267 12.362 11.699 1.00 0.00 O ATOM 0 H TYR A 30 69.548 8.833 13.392 1.00 0.00 H new ATOM 0 HA TYR A 30 69.100 11.294 14.857 1.00 0.00 H new ATOM 0 HB2 TYR A 30 68.433 10.341 12.026 1.00 0.00 H new ATOM 0 HB3 TYR A 30 68.167 11.976 12.599 1.00 0.00 H new ATOM 0 HD1 TYR A 30 70.111 13.426 13.253 1.00 0.00 H new ATOM 0 HD2 TYR A 30 70.706 9.519 11.577 1.00 0.00 H new ATOM 0 HE1 TYR A 30 72.493 13.975 12.809 1.00 0.00 H new ATOM 0 HE2 TYR A 30 73.086 10.060 11.145 1.00 0.00 H new ATOM 0 HH TYR A 30 74.707 11.593 11.281 1.00 0.00 H new ATOM 427 N LYS A 31 66.551 11.472 14.891 1.00 0.00 N ATOM 428 CA LYS A 31 65.131 11.465 15.263 1.00 0.00 C ATOM 429 C LYS A 31 64.412 12.594 14.522 1.00 0.00 C ATOM 430 O LYS A 31 63.479 13.203 15.046 1.00 0.00 O ATOM 431 CB LYS A 31 64.966 11.645 16.796 1.00 0.00 C ATOM 432 CG LYS A 31 65.652 10.489 17.577 1.00 0.00 C ATOM 433 CD LYS A 31 65.438 10.654 19.108 1.00 0.00 C ATOM 434 CE LYS A 31 66.136 9.519 19.886 1.00 0.00 C ATOM 435 NZ LYS A 31 65.901 9.713 21.345 1.00 0.00 N ATOM 0 H LYS A 31 66.986 12.393 14.950 1.00 0.00 H new ATOM 0 HA LYS A 31 64.694 10.506 14.984 1.00 0.00 H new ATOM 0 HB2 LYS A 31 65.397 12.599 17.101 1.00 0.00 H new ATOM 0 HB3 LYS A 31 63.906 11.679 17.048 1.00 0.00 H new ATOM 0 HG2 LYS A 31 65.246 9.532 17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 31 66.719 10.476 17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 31 65.830 11.618 19.432 1.00 0.00 H new ATOM 0 HD3 LYS A 31 64.371 10.652 19.333 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.748 8.551 19.568 1.00 0.00 H new ATOM 0 HE3 LYS A 31 67.205 9.520 19.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 66.369 8.951 21.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 66.291 10.631 21.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.879 9.693 21.538 1.00 0.00 H new ATOM 449 N HIS A 32 64.861 12.867 13.291 1.00 0.00 N ATOM 450 CA HIS A 32 64.256 13.928 12.469 1.00 0.00 C ATOM 451 C HIS A 32 63.002 13.433 11.757 1.00 0.00 C ATOM 452 O HIS A 32 62.098 14.220 11.470 1.00 0.00 O ATOM 453 CB HIS A 32 65.254 14.443 11.426 1.00 0.00 C ATOM 454 CG HIS A 32 66.441 15.076 12.109 1.00 0.00 C ATOM 455 ND1 HIS A 32 66.301 16.043 13.090 1.00 0.00 N ATOM 456 CD2 HIS A 32 67.792 14.883 11.960 1.00 0.00 C ATOM 457 CE1 HIS A 32 67.536 16.393 13.494 1.00 0.00 C ATOM 458 NE2 HIS A 32 68.482 15.720 12.837 1.00 0.00 N ATOM 0 H HIS A 32 65.634 12.374 12.843 1.00 0.00 H new ATOM 0 HA HIS A 32 63.982 14.740 13.143 1.00 0.00 H new ATOM 0 HB2 HIS A 32 65.586 13.621 10.792 1.00 0.00 H new ATOM 0 HB3 HIS A 32 64.769 15.171 10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 32 68.250 14.190 11.270 1.00 0.00 H new ATOM 0 HE1 HIS A 32 67.737 17.130 14.258 1.00 0.00 H new ATOM 0 HE2 HIS A 32 69.492 15.800 12.951 1.00 0.00 H new ATOM 466 N THR A 33 62.959 12.135 11.467 1.00 0.00 N ATOM 467 CA THR A 33 61.818 11.538 10.774 1.00 0.00 C ATOM 468 C THR A 33 60.660 11.309 11.735 1.00 0.00 C ATOM 469 O THR A 33 59.535 11.052 11.313 1.00 0.00 O ATOM 470 CB THR A 33 62.232 10.196 10.168 1.00 0.00 C ATOM 471 OG1 THR A 33 62.974 9.471 11.133 1.00 0.00 O ATOM 472 CG2 THR A 33 63.088 10.414 8.914 1.00 0.00 C ATOM 0 H THR A 33 63.701 11.475 11.701 1.00 0.00 H new ATOM 0 HA THR A 33 61.497 12.223 9.990 1.00 0.00 H new ATOM 0 HB THR A 33 61.340 9.638 9.882 1.00 0.00 H new ATOM 0 HG1 THR A 33 62.360 8.971 11.710 1.00 0.00 H new ATOM 0 HG21 THR A 33 63.374 9.449 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 33 62.515 10.974 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 33 63.985 10.974 9.178 1.00 0.00 H new ATOM 480 N ASP A 34 60.938 11.394 13.028 1.00 0.00 N ATOM 481 CA ASP A 34 59.894 11.184 14.028 1.00 0.00 C ATOM 482 C ASP A 34 58.827 12.263 13.908 1.00 0.00 C ATOM 483 O ASP A 34 57.631 11.983 13.998 1.00 0.00 O ATOM 484 CB ASP A 34 60.493 11.205 15.438 1.00 0.00 C ATOM 485 CG ASP A 34 61.153 9.864 15.755 1.00 0.00 C ATOM 486 OD1 ASP A 34 60.446 8.877 15.831 1.00 0.00 O ATOM 487 OD2 ASP A 34 62.362 9.839 15.895 1.00 0.00 O ATOM 0 H ASP A 34 61.861 11.603 13.408 1.00 0.00 H new ATOM 0 HA ASP A 34 59.439 10.209 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 34 61.227 12.007 15.516 1.00 0.00 H new ATOM 0 HB3 ASP A 34 59.712 11.415 16.169 1.00 0.00 H new ATOM 492 N MET A 35 59.269 13.497 13.708 1.00 0.00 N ATOM 493 CA MET A 35 58.342 14.618 13.580 1.00 0.00 C ATOM 494 C MET A 35 57.512 14.492 12.305 1.00 0.00 C ATOM 495 O MET A 35 56.304 14.738 12.323 1.00 0.00 O ATOM 496 CB MET A 35 59.116 15.945 13.558 1.00 0.00 C ATOM 497 CG MET A 35 59.613 16.301 14.969 1.00 0.00 C ATOM 498 SD MET A 35 60.837 17.641 14.860 1.00 0.00 S ATOM 499 CE MET A 35 59.734 19.063 15.097 1.00 0.00 C ATOM 0 H MET A 35 60.255 13.748 13.631 1.00 0.00 H new ATOM 0 HA MET A 35 57.671 14.603 14.439 1.00 0.00 H new ATOM 0 HB2 MET A 35 59.963 15.868 12.876 1.00 0.00 H new ATOM 0 HB3 MET A 35 58.474 16.741 13.180 1.00 0.00 H new ATOM 0 HG2 MET A 35 58.775 16.609 15.594 1.00 0.00 H new ATOM 0 HG3 MET A 35 60.058 15.425 15.441 1.00 0.00 H new ATOM 0 HE1 MET A 35 60.315 19.984 15.060 1.00 0.00 H new ATOM 0 HE2 MET A 35 58.983 19.076 14.307 1.00 0.00 H new ATOM 0 HE3 MET A 35 59.241 18.983 16.066 1.00 0.00 H new ATOM 509 N ASP A 36 58.180 14.110 11.208 1.00 0.00 N ATOM 510 CA ASP A 36 57.521 13.951 9.905 1.00 0.00 C ATOM 511 C ASP A 36 56.937 12.551 9.763 1.00 0.00 C ATOM 512 O ASP A 36 57.661 11.587 9.521 1.00 0.00 O ATOM 513 CB ASP A 36 58.542 14.188 8.784 1.00 0.00 C ATOM 514 CG ASP A 36 59.014 15.642 8.792 1.00 0.00 C ATOM 515 OD1 ASP A 36 58.176 16.520 8.671 1.00 0.00 O ATOM 516 OD2 ASP A 36 60.211 15.857 8.923 1.00 0.00 O ATOM 0 H ASP A 36 59.179 13.905 11.198 1.00 0.00 H new ATOM 0 HA ASP A 36 56.712 14.678 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 36 59.395 13.521 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 36 58.094 13.950 7.819 1.00 0.00 H new ATOM 521 N LEU A 37 55.616 12.458 9.903 1.00 0.00 N ATOM 522 CA LEU A 37 54.919 11.178 9.785 1.00 0.00 C ATOM 523 C LEU A 37 54.841 10.777 8.316 1.00 0.00 C ATOM 524 O LEU A 37 54.716 11.633 7.439 1.00 0.00 O ATOM 525 CB LEU A 37 53.484 11.277 10.352 1.00 0.00 C ATOM 526 CG LEU A 37 53.433 11.955 11.762 1.00 0.00 C ATOM 527 CD1 LEU A 37 52.006 11.901 12.337 1.00 0.00 C ATOM 528 CD2 LEU A 37 54.373 11.280 12.780 1.00 0.00 C ATOM 0 H LEU A 37 55.007 13.253 10.098 1.00 0.00 H new ATOM 0 HA LEU A 37 55.473 10.432 10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 37 52.863 11.844 9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 53.055 10.277 10.419 1.00 0.00 H new ATOM 0 HG LEU A 37 53.756 12.985 11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 37 51.991 12.377 13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 37 51.324 12.426 11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 37 51.692 10.862 12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 37 54.297 11.791 13.740 1.00 0.00 H new ATOM 0 HD22 LEU A 37 54.088 10.235 12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 37 55.400 11.336 12.420 1.00 0.00 H new ATOM 540 N THR A 38 54.925 9.469 8.070 1.00 0.00 N ATOM 541 CA THR A 38 54.868 8.923 6.705 1.00 0.00 C ATOM 542 C THR A 38 54.449 7.454 6.718 1.00 0.00 C ATOM 543 O THR A 38 54.689 6.743 7.696 1.00 0.00 O ATOM 544 CB THR A 38 56.233 9.070 5.995 1.00 0.00 C ATOM 545 OG1 THR A 38 56.082 8.696 4.634 1.00 0.00 O ATOM 546 CG2 THR A 38 57.310 8.177 6.641 1.00 0.00 C ATOM 0 H THR A 38 55.033 8.763 8.798 1.00 0.00 H new ATOM 0 HA THR A 38 54.121 9.495 6.155 1.00 0.00 H new ATOM 0 HB THR A 38 56.554 10.108 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.942 8.787 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 38 58.255 8.308 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 38 57.436 8.457 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 38 57.002 7.133 6.579 1.00 0.00 H new ATOM 554 N TYR A 39 53.835 7.013 5.616 1.00 0.00 N ATOM 555 CA TYR A 39 53.390 5.624 5.482 1.00 0.00 C ATOM 556 C TYR A 39 54.573 4.722 5.145 1.00 0.00 C ATOM 557 O TYR A 39 55.446 5.098 4.364 1.00 0.00 O ATOM 558 CB TYR A 39 52.344 5.515 4.368 1.00 0.00 C ATOM 559 CG TYR A 39 51.086 6.301 4.760 1.00 0.00 C ATOM 560 CD1 TYR A 39 50.981 7.661 4.434 1.00 0.00 C ATOM 561 CD2 TYR A 39 50.038 5.663 5.434 1.00 0.00 C ATOM 562 CE1 TYR A 39 49.835 8.374 4.786 1.00 0.00 C ATOM 563 CE2 TYR A 39 48.891 6.380 5.782 1.00 0.00 C ATOM 564 CZ TYR A 39 48.787 7.736 5.459 1.00 0.00 C ATOM 565 OH TYR A 39 47.654 8.445 5.803 1.00 0.00 O ATOM 0 H TYR A 39 53.635 7.598 4.805 1.00 0.00 H new ATOM 0 HA TYR A 39 52.952 5.308 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 39 52.751 5.904 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 39 52.091 4.469 4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 39 51.786 8.156 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 39 50.116 4.616 5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 39 49.756 9.422 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 39 48.083 5.886 6.301 1.00 0.00 H new ATOM 0 HH TYR A 39 47.024 7.852 6.264 1.00 0.00 H new ATOM 575 N THR A 40 54.595 3.532 5.738 1.00 0.00 N ATOM 576 CA THR A 40 55.682 2.586 5.493 1.00 0.00 C ATOM 577 C THR A 40 55.609 2.051 4.064 1.00 0.00 C ATOM 578 O THR A 40 54.526 1.728 3.572 1.00 0.00 O ATOM 579 CB THR A 40 55.602 1.413 6.479 1.00 0.00 C ATOM 580 OG1 THR A 40 54.599 0.504 6.045 1.00 0.00 O ATOM 581 CG2 THR A 40 55.253 1.916 7.887 1.00 0.00 C ATOM 0 H THR A 40 53.880 3.201 6.386 1.00 0.00 H new ATOM 0 HA THR A 40 56.627 3.110 5.633 1.00 0.00 H new ATOM 0 HB THR A 40 56.571 0.915 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 40 54.546 -0.248 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 40 55.201 1.070 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 40 56.021 2.611 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 40 54.289 2.424 7.863 1.00 0.00 H new ATOM 589 N ASP A 41 56.772 1.964 3.413 1.00 0.00 N ATOM 590 CA ASP A 41 56.855 1.470 2.036 1.00 0.00 C ATOM 591 C ASP A 41 56.798 -0.058 2.007 1.00 0.00 C ATOM 592 O ASP A 41 57.829 -0.730 1.997 1.00 0.00 O ATOM 593 CB ASP A 41 58.168 1.944 1.402 1.00 0.00 C ATOM 594 CG ASP A 41 58.183 3.466 1.284 1.00 0.00 C ATOM 595 OD1 ASP A 41 57.300 4.004 0.626 1.00 0.00 O ATOM 596 OD2 ASP A 41 59.066 4.068 1.859 1.00 0.00 O ATOM 0 H ASP A 41 57.670 2.229 3.818 1.00 0.00 H new ATOM 0 HA ASP A 41 56.008 1.862 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.012 1.611 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 41 58.286 1.495 0.416 1.00 0.00 H new ATOM 601 N ARG A 42 55.584 -0.601 1.994 1.00 0.00 N ATOM 602 CA ARG A 42 55.409 -2.050 1.965 1.00 0.00 C ATOM 603 C ARG A 42 55.936 -2.622 0.653 1.00 0.00 C ATOM 604 O ARG A 42 56.595 -3.663 0.641 1.00 0.00 O ATOM 605 CB ARG A 42 53.916 -2.407 2.105 1.00 0.00 C ATOM 606 CG ARG A 42 53.412 -2.116 3.543 1.00 0.00 C ATOM 607 CD ARG A 42 51.891 -2.349 3.656 1.00 0.00 C ATOM 608 NE ARG A 42 51.446 -2.125 5.040 1.00 0.00 N ATOM 609 CZ ARG A 42 51.262 -0.920 5.557 1.00 0.00 C ATOM 610 NH1 ARG A 42 51.491 0.143 4.837 1.00 0.00 N ATOM 611 NH2 ARG A 42 50.847 -0.795 6.787 1.00 0.00 N ATOM 0 H ARG A 42 54.715 -0.066 2.003 1.00 0.00 H new ATOM 0 HA ARG A 42 55.968 -2.478 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.331 -1.832 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.766 -3.460 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.935 -2.758 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.646 -1.086 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.361 -1.676 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.647 -3.366 3.348 1.00 0.00 H new ATOM 0 HE ARG A 42 51.271 -2.938 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.812 0.047 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.349 1.070 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.664 -1.625 7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.705 0.133 7.186 1.00 0.00 H new ATOM 625 N ASP A 43 55.643 -1.934 -0.446 1.00 0.00 N ATOM 626 CA ASP A 43 56.090 -2.376 -1.765 1.00 0.00 C ATOM 627 C ASP A 43 57.595 -2.181 -1.914 1.00 0.00 C ATOM 628 O ASP A 43 58.149 -1.189 -1.439 1.00 0.00 O ATOM 629 CB ASP A 43 55.363 -1.584 -2.856 1.00 0.00 C ATOM 630 CG ASP A 43 53.867 -1.893 -2.832 1.00 0.00 C ATOM 631 OD1 ASP A 43 53.518 -3.052 -3.007 1.00 0.00 O ATOM 632 OD2 ASP A 43 53.100 -0.969 -2.638 1.00 0.00 O ATOM 0 H ASP A 43 55.100 -1.071 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 43 55.859 -3.436 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 43 55.523 -0.516 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 43 55.777 -1.834 -3.833 1.00 0.00 H new ATOM 637 N TYR A 44 58.248 -3.131 -2.581 1.00 0.00 N ATOM 638 CA TYR A 44 59.690 -3.054 -2.794 1.00 0.00 C ATOM 639 C TYR A 44 60.005 -1.970 -3.819 1.00 0.00 C ATOM 640 O TYR A 44 59.280 -1.828 -4.806 1.00 0.00 O ATOM 641 CB TYR A 44 60.216 -4.400 -3.298 1.00 0.00 C ATOM 642 CG TYR A 44 59.977 -5.476 -2.231 1.00 0.00 C ATOM 643 CD1 TYR A 44 58.769 -6.181 -2.214 1.00 0.00 C ATOM 644 CD2 TYR A 44 60.964 -5.754 -1.276 1.00 0.00 C ATOM 645 CE1 TYR A 44 58.544 -7.170 -1.243 1.00 0.00 C ATOM 646 CE2 TYR A 44 60.739 -6.738 -0.306 1.00 0.00 C ATOM 647 CZ TYR A 44 59.527 -7.447 -0.287 1.00 0.00 C ATOM 648 OH TYR A 44 59.307 -8.417 0.670 1.00 0.00 O ATOM 0 H TYR A 44 57.804 -3.958 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 44 60.174 -2.809 -1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 44 59.713 -4.675 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 44 61.280 -4.326 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 44 58.008 -5.964 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 44 61.897 -5.210 -1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 44 57.613 -7.717 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 44 61.500 -6.952 0.430 1.00 0.00 H new ATOM 0 HH TYR A 44 60.091 -8.483 1.255 1.00 0.00 H new ATOM 658 N LYS A 45 61.086 -1.211 -3.555 1.00 0.00 N ATOM 659 CA LYS A 45 61.534 -0.110 -4.429 1.00 0.00 C ATOM 660 C LYS A 45 63.029 -0.241 -4.711 1.00 0.00 C ATOM 661 O LYS A 45 63.782 -0.773 -3.897 1.00 0.00 O ATOM 662 CB LYS A 45 61.272 1.256 -3.757 1.00 0.00 C ATOM 663 CG LYS A 45 59.749 1.517 -3.587 1.00 0.00 C ATOM 664 CD LYS A 45 59.495 2.890 -2.906 1.00 0.00 C ATOM 665 CE LYS A 45 57.983 3.155 -2.742 1.00 0.00 C ATOM 666 NZ LYS A 45 57.789 4.479 -2.088 1.00 0.00 N ATOM 0 H LYS A 45 61.672 -1.344 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 45 60.974 -0.168 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.759 1.284 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.715 2.050 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 45 59.261 1.494 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 45 59.304 0.722 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.979 2.911 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 45 59.944 3.684 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 45 57.491 3.140 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 45 57.526 2.368 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 56.892 4.897 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.764 4.356 -1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.575 5.110 -2.342 1.00 0.00 H new ATOM 680 N ASN A 46 63.446 0.251 -5.876 1.00 0.00 N ATOM 681 CA ASN A 46 64.849 0.187 -6.271 1.00 0.00 C ATOM 682 C ASN A 46 65.699 1.109 -5.399 1.00 0.00 C ATOM 683 O ASN A 46 65.500 2.325 -5.390 1.00 0.00 O ATOM 684 CB ASN A 46 64.988 0.599 -7.739 1.00 0.00 C ATOM 685 CG ASN A 46 66.435 0.447 -8.193 1.00 0.00 C ATOM 686 OD1 ASN A 46 67.008 -0.637 -8.097 1.00 0.00 O ATOM 687 ND2 ASN A 46 67.067 1.480 -8.690 1.00 0.00 N ATOM 0 H ASN A 46 62.834 0.696 -6.560 1.00 0.00 H new ATOM 0 HA ASN A 46 65.200 -0.837 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 46 64.338 -0.017 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 46 64.666 1.632 -7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 46 68.035 1.386 -8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 46 66.592 2.379 -8.770 1.00 0.00 H new ATOM 694 N CYS A 47 66.640 0.512 -4.666 1.00 0.00 N ATOM 695 CA CYS A 47 67.523 1.272 -3.782 1.00 0.00 C ATOM 696 C CYS A 47 68.735 0.429 -3.387 1.00 0.00 C ATOM 697 O CYS A 47 68.745 -0.787 -3.585 1.00 0.00 O ATOM 698 CB CYS A 47 66.757 1.699 -2.526 1.00 0.00 C ATOM 699 SG CYS A 47 66.289 3.442 -2.668 1.00 0.00 S ATOM 0 H CYS A 47 66.810 -0.494 -4.667 1.00 0.00 H new ATOM 0 HA CYS A 47 67.871 2.159 -4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 47 65.867 1.081 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 47 67.375 1.548 -1.641 1.00 0.00 H new ATOM 0 HG CYS A 47 65.784 3.661 -3.846 1.00 0.00 H new ATOM 705 N GLU A 48 69.755 1.085 -2.831 1.00 0.00 N ATOM 706 CA GLU A 48 70.970 0.389 -2.407 1.00 0.00 C ATOM 707 C GLU A 48 70.632 -0.649 -1.340 1.00 0.00 C ATOM 708 O GLU A 48 69.648 -0.498 -0.613 1.00 0.00 O ATOM 709 CB GLU A 48 71.988 1.389 -1.831 1.00 0.00 C ATOM 710 CG GLU A 48 72.533 2.333 -2.929 1.00 0.00 C ATOM 711 CD GLU A 48 73.465 3.385 -2.320 1.00 0.00 C ATOM 712 OE1 GLU A 48 73.727 3.302 -1.131 1.00 0.00 O ATOM 713 OE2 GLU A 48 73.901 4.251 -3.058 1.00 0.00 O ATOM 0 H GLU A 48 69.764 2.091 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 48 71.403 -0.105 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.517 1.977 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.814 0.846 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 48 73.070 1.754 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.704 2.825 -3.438 1.00 0.00 H new ATOM 720 N SER A 49 71.445 -1.703 -1.266 1.00 0.00 N ATOM 721 CA SER A 49 71.233 -2.775 -0.297 1.00 0.00 C ATOM 722 C SER A 49 72.509 -3.588 -0.125 1.00 0.00 C ATOM 723 O SER A 49 73.422 -3.490 -0.948 1.00 0.00 O ATOM 724 CB SER A 49 70.104 -3.688 -0.770 1.00 0.00 C ATOM 725 OG SER A 49 70.385 -4.135 -2.091 1.00 0.00 O ATOM 0 H SER A 49 72.258 -1.836 -1.868 1.00 0.00 H new ATOM 0 HA SER A 49 70.961 -2.332 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 49 70.004 -4.541 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 49 69.155 -3.153 -0.749 1.00 0.00 H new ATOM 0 HG SER A 49 69.663 -4.723 -2.398 1.00 0.00 H new ATOM 731 N TYR A 50 72.551 -4.382 0.951 1.00 0.00 N ATOM 732 CA TYR A 50 73.697 -5.234 1.261 1.00 0.00 C ATOM 733 C TYR A 50 73.225 -6.515 1.940 1.00 0.00 C ATOM 734 O TYR A 50 72.244 -6.515 2.681 1.00 0.00 O ATOM 735 CB TYR A 50 74.670 -4.486 2.179 1.00 0.00 C ATOM 736 CG TYR A 50 75.673 -3.677 1.342 1.00 0.00 C ATOM 737 CD1 TYR A 50 76.798 -4.317 0.808 1.00 0.00 C ATOM 738 CD2 TYR A 50 75.474 -2.307 1.115 1.00 0.00 C ATOM 739 CE1 TYR A 50 77.721 -3.591 0.049 1.00 0.00 C ATOM 740 CE2 TYR A 50 76.399 -1.584 0.353 1.00 0.00 C ATOM 741 CZ TYR A 50 77.524 -2.224 -0.183 1.00 0.00 C ATOM 742 OH TYR A 50 78.436 -1.510 -0.932 1.00 0.00 O ATOM 0 H TYR A 50 71.791 -4.450 1.628 1.00 0.00 H new ATOM 0 HA TYR A 50 74.209 -5.491 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 50 74.117 -3.820 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 50 75.202 -5.196 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 50 76.953 -5.372 0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 50 74.608 -1.811 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 50 78.589 -4.086 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 50 76.245 -0.530 0.178 1.00 0.00 H new ATOM 0 HH TYR A 50 78.147 -0.576 -0.996 1.00 0.00 H new ATOM 752 N HIS A 51 73.936 -7.599 1.670 1.00 0.00 N ATOM 753 CA HIS A 51 73.597 -8.894 2.245 1.00 0.00 C ATOM 754 C HIS A 51 73.890 -8.912 3.741 1.00 0.00 C ATOM 755 O HIS A 51 73.261 -9.654 4.495 1.00 0.00 O ATOM 756 CB HIS A 51 74.402 -9.999 1.556 1.00 0.00 C ATOM 757 CG HIS A 51 74.002 -10.081 0.108 1.00 0.00 C ATOM 758 ND1 HIS A 51 72.794 -10.633 -0.298 1.00 0.00 N ATOM 759 CD2 HIS A 51 74.635 -9.681 -1.041 1.00 0.00 C ATOM 760 CE1 HIS A 51 72.740 -10.545 -1.640 1.00 0.00 C ATOM 761 NE2 HIS A 51 73.840 -9.973 -2.142 1.00 0.00 N ATOM 0 H HIS A 51 74.751 -7.609 1.057 1.00 0.00 H new ATOM 0 HA HIS A 51 72.532 -9.068 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 51 75.469 -9.792 1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.224 -10.955 2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.606 -9.210 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.911 -10.893 -2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 51 74.050 -9.790 -3.123 1.00 0.00 H new ATOM 769 N LYS A 52 74.868 -8.114 4.158 1.00 0.00 N ATOM 770 CA LYS A 52 75.257 -8.073 5.565 1.00 0.00 C ATOM 771 C LYS A 52 74.092 -7.601 6.442 1.00 0.00 C ATOM 772 O LYS A 52 73.808 -8.223 7.469 1.00 0.00 O ATOM 773 CB LYS A 52 76.464 -7.131 5.752 1.00 0.00 C ATOM 774 CG LYS A 52 77.754 -7.712 5.115 1.00 0.00 C ATOM 775 CD LYS A 52 78.585 -8.524 6.143 1.00 0.00 C ATOM 776 CE LYS A 52 79.669 -9.343 5.423 1.00 0.00 C ATOM 777 NZ LYS A 52 80.629 -9.878 6.430 1.00 0.00 N ATOM 0 H LYS A 52 75.401 -7.493 3.550 1.00 0.00 H new ATOM 0 HA LYS A 52 75.533 -9.082 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 52 76.242 -6.163 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.630 -6.959 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 52 77.488 -8.353 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 52 78.361 -6.899 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 52 79.048 -7.848 6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 52 77.930 -9.189 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 52 79.213 -10.162 4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 52 80.193 -8.719 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 81.365 -10.433 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 81.071 -9.088 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 80.122 -10.487 7.104 1.00 0.00 H new ATOM 791 N CYS A 53 73.438 -6.498 6.045 1.00 0.00 N ATOM 792 CA CYS A 53 72.311 -5.944 6.806 1.00 0.00 C ATOM 793 C CYS A 53 71.235 -6.991 7.094 1.00 0.00 C ATOM 794 O CYS A 53 71.145 -8.010 6.407 1.00 0.00 O ATOM 795 CB CYS A 53 71.686 -4.805 6.010 1.00 0.00 C ATOM 796 SG CYS A 53 70.643 -3.797 7.092 1.00 0.00 S ATOM 0 H CYS A 53 73.671 -5.974 5.202 1.00 0.00 H new ATOM 0 HA CYS A 53 72.699 -5.591 7.761 1.00 0.00 H new ATOM 0 HB2 CYS A 53 72.468 -4.188 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 53 71.092 -5.207 5.189 1.00 0.00 H new ATOM 0 HG CYS A 53 69.937 -2.976 6.372 1.00 0.00 H new ATOM 802 N SER A 54 70.426 -6.705 8.116 1.00 0.00 N ATOM 803 CA SER A 54 69.341 -7.592 8.526 1.00 0.00 C ATOM 804 C SER A 54 68.123 -7.402 7.624 1.00 0.00 C ATOM 805 O SER A 54 67.140 -8.124 7.758 1.00 0.00 O ATOM 806 CB SER A 54 68.970 -7.314 9.981 1.00 0.00 C ATOM 807 OG SER A 54 70.097 -7.574 10.808 1.00 0.00 O ATOM 0 H SER A 54 70.505 -5.857 8.678 1.00 0.00 H new ATOM 0 HA SER A 54 69.677 -8.625 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 54 68.651 -6.278 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 54 68.131 -7.942 10.281 1.00 0.00 H new ATOM 0 HG SER A 54 69.865 -7.395 11.743 1.00 0.00 H new ATOM 813 N ASP A 55 68.223 -6.432 6.703 1.00 0.00 N ATOM 814 CA ASP A 55 67.159 -6.129 5.731 1.00 0.00 C ATOM 815 C ASP A 55 65.902 -5.552 6.387 1.00 0.00 C ATOM 816 O ASP A 55 64.775 -5.994 6.142 1.00 0.00 O ATOM 817 CB ASP A 55 66.827 -7.373 4.920 1.00 0.00 C ATOM 818 CG ASP A 55 66.220 -6.981 3.578 1.00 0.00 C ATOM 819 OD1 ASP A 55 66.965 -6.521 2.725 1.00 0.00 O ATOM 820 OD2 ASP A 55 65.032 -7.168 3.416 1.00 0.00 O ATOM 0 H ASP A 55 69.044 -5.834 6.610 1.00 0.00 H new ATOM 0 HA ASP A 55 67.539 -5.354 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.729 -7.963 4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.129 -8.001 5.473 1.00 0.00 H new ATOM 825 N LEU A 56 66.116 -4.516 7.177 1.00 0.00 N ATOM 826 CA LEU A 56 65.041 -3.801 7.847 1.00 0.00 C ATOM 827 C LEU A 56 65.522 -2.413 8.278 1.00 0.00 C ATOM 828 O LEU A 56 64.795 -1.430 8.114 1.00 0.00 O ATOM 829 CB LEU A 56 64.483 -4.616 9.036 1.00 0.00 C ATOM 830 CG LEU A 56 65.581 -4.977 10.104 1.00 0.00 C ATOM 831 CD1 LEU A 56 65.454 -4.106 11.363 1.00 0.00 C ATOM 832 CD2 LEU A 56 65.460 -6.447 10.542 1.00 0.00 C ATOM 0 H LEU A 56 67.045 -4.144 7.374 1.00 0.00 H new ATOM 0 HA LEU A 56 64.218 -3.668 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 56 63.688 -4.047 9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 56 64.034 -5.535 8.660 1.00 0.00 H new ATOM 0 HG LEU A 56 66.545 -4.799 9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 56 66.229 -4.384 12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 56 65.570 -3.056 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 56 64.473 -4.259 11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 56 66.230 -6.671 11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 56 64.477 -6.616 10.981 1.00 0.00 H new ATOM 0 HD23 LEU A 56 65.588 -7.096 9.676 1.00 0.00 H new ATOM 844 N CYS A 57 66.759 -2.359 8.796 1.00 0.00 N ATOM 845 CA CYS A 57 67.391 -1.108 9.238 1.00 0.00 C ATOM 846 C CYS A 57 68.225 -0.535 8.095 1.00 0.00 C ATOM 847 O CYS A 57 69.183 -1.156 7.637 1.00 0.00 O ATOM 848 CB CYS A 57 68.226 -1.393 10.494 1.00 0.00 C ATOM 849 SG CYS A 57 69.320 0.004 10.885 1.00 0.00 S ATOM 0 H CYS A 57 67.349 -3.182 8.920 1.00 0.00 H new ATOM 0 HA CYS A 57 66.644 -0.359 9.500 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.564 -1.587 11.338 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.821 -2.293 10.342 1.00 0.00 H new ATOM 854 N GLN A 58 67.815 0.627 7.603 1.00 0.00 N ATOM 855 CA GLN A 58 68.494 1.257 6.472 1.00 0.00 C ATOM 856 C GLN A 58 69.901 1.745 6.816 1.00 0.00 C ATOM 857 O GLN A 58 70.783 1.732 5.963 1.00 0.00 O ATOM 858 CB GLN A 58 67.667 2.435 5.923 1.00 0.00 C ATOM 859 CG GLN A 58 66.963 3.202 7.054 1.00 0.00 C ATOM 860 CD GLN A 58 66.558 4.585 6.560 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.187 4.745 5.400 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.610 5.602 7.377 1.00 0.00 N ATOM 0 H GLN A 58 67.019 1.152 7.966 1.00 0.00 H new ATOM 0 HA GLN A 58 68.590 0.483 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.319 3.113 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.925 2.063 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 58 66.083 2.652 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 58 67.627 3.292 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.918 5.467 8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.342 6.531 7.052 1.00 0.00 H new ATOM 871 N TYR A 59 70.091 2.214 8.043 1.00 0.00 N ATOM 872 CA TYR A 59 71.380 2.752 8.479 1.00 0.00 C ATOM 873 C TYR A 59 72.411 1.660 8.745 1.00 0.00 C ATOM 874 O TYR A 59 73.614 1.904 8.647 1.00 0.00 O ATOM 875 CB TYR A 59 71.176 3.585 9.739 1.00 0.00 C ATOM 876 CG TYR A 59 71.585 5.039 9.471 1.00 0.00 C ATOM 877 CD1 TYR A 59 70.685 5.906 8.842 1.00 0.00 C ATOM 878 CD2 TYR A 59 72.847 5.502 9.853 1.00 0.00 C ATOM 879 CE1 TYR A 59 71.046 7.238 8.601 1.00 0.00 C ATOM 880 CE2 TYR A 59 73.211 6.833 9.608 1.00 0.00 C ATOM 881 CZ TYR A 59 72.309 7.701 8.981 1.00 0.00 C ATOM 882 OH TYR A 59 72.661 9.013 8.743 1.00 0.00 O ATOM 0 H TYR A 59 69.366 2.234 8.760 1.00 0.00 H new ATOM 0 HA TYR A 59 71.770 3.370 7.670 1.00 0.00 H new ATOM 0 HB2 TYR A 59 70.132 3.542 10.049 1.00 0.00 H new ATOM 0 HB3 TYR A 59 71.769 3.175 10.557 1.00 0.00 H new ATOM 0 HD1 TYR A 59 69.711 5.548 8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 59 73.543 4.833 10.338 1.00 0.00 H new ATOM 0 HE1 TYR A 59 70.348 7.908 8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 59 74.187 7.189 9.903 1.00 0.00 H new ATOM 0 HH TYR A 59 72.458 9.555 9.534 1.00 0.00 H new ATOM 892 N CYS A 60 71.943 0.465 9.092 1.00 0.00 N ATOM 893 CA CYS A 60 72.840 -0.642 9.375 1.00 0.00 C ATOM 894 C CYS A 60 73.688 -0.981 8.145 1.00 0.00 C ATOM 895 O CYS A 60 74.787 -1.513 8.265 1.00 0.00 O ATOM 896 CB CYS A 60 72.026 -1.871 9.772 1.00 0.00 C ATOM 897 SG CYS A 60 71.850 -2.023 11.590 1.00 0.00 S ATOM 0 H CYS A 60 70.952 0.242 9.183 1.00 0.00 H new ATOM 0 HA CYS A 60 73.501 -0.350 10.191 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.038 -1.814 9.316 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.507 -2.767 9.379 1.00 0.00 H new ATOM 902 N ARG A 61 73.152 -0.689 6.963 1.00 0.00 N ATOM 903 CA ARG A 61 73.841 -0.997 5.698 1.00 0.00 C ATOM 904 C ARG A 61 75.214 -0.329 5.613 1.00 0.00 C ATOM 905 O ARG A 61 76.184 -0.959 5.187 1.00 0.00 O ATOM 906 CB ARG A 61 73.003 -0.473 4.520 1.00 0.00 C ATOM 907 CG ARG A 61 71.725 -1.315 4.333 1.00 0.00 C ATOM 908 CD ARG A 61 70.756 -0.640 3.348 1.00 0.00 C ATOM 909 NE ARG A 61 69.638 -1.541 3.079 1.00 0.00 N ATOM 910 CZ ARG A 61 68.593 -1.172 2.346 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.542 0.033 1.850 1.00 0.00 N ATOM 912 NH2 ARG A 61 67.623 -2.013 2.121 1.00 0.00 N ATOM 0 H ARG A 61 72.244 -0.240 6.847 1.00 0.00 H new ATOM 0 HA ARG A 61 73.967 -2.079 5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.734 0.569 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.597 -0.499 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.990 -2.307 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.233 -1.453 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.390 0.298 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.273 -0.396 2.420 1.00 0.00 H new ATOM 0 HE ARG A 61 69.660 -2.484 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.303 0.689 2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 61 67.741 0.319 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.665 -2.956 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.821 -1.728 1.558 1.00 0.00 H new ATOM 926 N TYR A 62 75.270 0.948 5.995 1.00 0.00 N ATOM 927 CA TYR A 62 76.514 1.728 5.935 1.00 0.00 C ATOM 928 C TYR A 62 77.375 1.507 7.168 1.00 0.00 C ATOM 929 O TYR A 62 78.570 1.228 7.046 1.00 0.00 O ATOM 930 CB TYR A 62 76.190 3.222 5.827 1.00 0.00 C ATOM 931 CG TYR A 62 75.309 3.476 4.600 1.00 0.00 C ATOM 932 CD1 TYR A 62 75.899 3.658 3.342 1.00 0.00 C ATOM 933 CD2 TYR A 62 73.912 3.521 4.732 1.00 0.00 C ATOM 934 CE1 TYR A 62 75.097 3.886 2.220 1.00 0.00 C ATOM 935 CE2 TYR A 62 73.113 3.760 3.611 1.00 0.00 C ATOM 936 CZ TYR A 62 73.699 3.939 2.354 1.00 0.00 C ATOM 937 OH TYR A 62 72.907 4.166 1.248 1.00 0.00 O ATOM 0 H TYR A 62 74.468 1.468 6.351 1.00 0.00 H new ATOM 0 HA TYR A 62 77.066 1.392 5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 62 75.679 3.558 6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.112 3.798 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 62 76.974 3.622 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 62 73.455 3.371 5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.552 4.021 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 62 72.039 3.807 3.716 1.00 0.00 H new ATOM 0 HH TYR A 62 73.454 4.110 0.437 1.00 0.00 H new ATOM 947 N GLN A 63 76.748 1.663 8.344 1.00 0.00 N ATOM 948 CA GLN A 63 77.419 1.513 9.644 1.00 0.00 C ATOM 949 C GLN A 63 76.554 0.673 10.565 1.00 0.00 C ATOM 950 O GLN A 63 75.477 1.102 10.958 1.00 0.00 O ATOM 951 CB GLN A 63 77.628 2.891 10.308 1.00 0.00 C ATOM 952 CG GLN A 63 78.601 3.773 9.505 1.00 0.00 C ATOM 953 CD GLN A 63 78.747 5.130 10.185 1.00 0.00 C ATOM 954 OE1 GLN A 63 79.019 5.205 11.385 1.00 0.00 O ATOM 955 NE2 GLN A 63 78.587 6.216 9.485 1.00 0.00 N ATOM 0 H GLN A 63 75.758 1.897 8.420 1.00 0.00 H new ATOM 0 HA GLN A 63 78.385 1.035 9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 63 76.668 3.399 10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 63 78.013 2.753 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 63 79.573 3.286 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 63 78.233 3.903 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 63 78.362 6.154 8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 63 78.687 7.129 9.930 1.00 0.00 H new ATOM 964 N LYS A 64 77.037 -0.521 10.898 1.00 0.00 N ATOM 965 CA LYS A 64 76.304 -1.433 11.778 1.00 0.00 C ATOM 966 C LYS A 64 75.976 -0.780 13.113 1.00 0.00 C ATOM 967 O LYS A 64 76.827 -0.128 13.721 1.00 0.00 O ATOM 968 CB LYS A 64 77.131 -2.697 12.060 1.00 0.00 C ATOM 969 CG LYS A 64 77.336 -3.588 10.800 1.00 0.00 C ATOM 970 CD LYS A 64 76.023 -4.263 10.290 1.00 0.00 C ATOM 971 CE LYS A 64 76.345 -5.557 9.534 1.00 0.00 C ATOM 972 NZ LYS A 64 75.121 -6.018 8.819 1.00 0.00 N ATOM 0 H LYS A 64 77.934 -0.882 10.572 1.00 0.00 H new ATOM 0 HA LYS A 64 75.379 -1.691 11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 64 78.105 -2.406 12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.636 -3.282 12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.756 -2.979 9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 64 78.068 -4.363 11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 75.367 -4.481 11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.484 -3.577 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 64 77.154 -5.387 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 64 76.687 -6.324 10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 75.150 -7.052 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.278 -5.749 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.080 -5.575 7.879 1.00 0.00 H new ATOM 986 N ASP A 65 74.719 -0.991 13.530 1.00 0.00 N ATOM 987 CA ASP A 65 74.177 -0.462 14.787 1.00 0.00 C ATOM 988 C ASP A 65 73.863 -1.605 15.755 1.00 0.00 C ATOM 989 O ASP A 65 73.127 -1.409 16.700 1.00 0.00 O ATOM 990 CB ASP A 65 72.874 0.302 14.506 1.00 0.00 C ATOM 991 CG ASP A 65 72.960 1.034 13.144 1.00 0.00 C ATOM 992 OD1 ASP A 65 73.946 1.735 12.980 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.063 0.922 12.298 1.00 0.00 O ATOM 0 H ASP A 65 74.044 -1.540 12.997 1.00 0.00 H new ATOM 0 HA ASP A 65 74.920 0.201 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.033 -0.391 14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 65 72.689 1.023 15.302 1.00 0.00 H new ATOM 998 N LEU A 66 74.395 -2.804 15.502 1.00 0.00 N ATOM 999 CA LEU A 66 74.110 -3.986 16.352 1.00 0.00 C ATOM 1000 C LEU A 66 74.426 -3.788 17.857 1.00 0.00 C ATOM 1001 O LEU A 66 74.155 -4.683 18.662 1.00 0.00 O ATOM 1002 CB LEU A 66 74.917 -5.208 15.832 1.00 0.00 C ATOM 1003 CG LEU A 66 74.313 -5.793 14.520 1.00 0.00 C ATOM 1004 CD1 LEU A 66 75.413 -6.507 13.714 1.00 0.00 C ATOM 1005 CD2 LEU A 66 73.229 -6.852 14.820 1.00 0.00 C ATOM 0 H LEU A 66 75.024 -2.992 14.721 1.00 0.00 H new ATOM 0 HA LEU A 66 73.035 -4.148 16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.950 -4.910 15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 74.936 -5.982 16.599 1.00 0.00 H new ATOM 0 HG LEU A 66 73.881 -4.959 13.967 1.00 0.00 H new ATOM 0 HD11 LEU A 66 74.986 -6.914 12.798 1.00 0.00 H new ATOM 0 HD12 LEU A 66 76.200 -5.796 13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 66 75.833 -7.317 14.310 1.00 0.00 H new ATOM 0 HD21 LEU A 66 72.829 -7.239 13.883 1.00 0.00 H new ATOM 0 HD22 LEU A 66 73.667 -7.669 15.392 1.00 0.00 H new ATOM 0 HD23 LEU A 66 72.424 -6.396 15.397 1.00 0.00 H new ATOM 1017 N ALA A 67 74.972 -2.641 18.253 1.00 0.00 N ATOM 1018 CA ALA A 67 75.276 -2.407 19.656 1.00 0.00 C ATOM 1019 C ALA A 67 74.001 -2.402 20.485 1.00 0.00 C ATOM 1020 O ALA A 67 73.931 -3.033 21.540 1.00 0.00 O ATOM 1021 CB ALA A 67 75.973 -1.062 19.818 1.00 0.00 C ATOM 0 H ALA A 67 75.209 -1.870 17.629 1.00 0.00 H new ATOM 0 HA ALA A 67 75.928 -3.209 20.002 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.198 -0.893 20.871 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.900 -1.061 19.244 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.321 -0.268 19.454 1.00 0.00 H new ATOM 1027 N ILE A 68 73.006 -1.659 20.011 1.00 0.00 N ATOM 1028 CA ILE A 68 71.745 -1.550 20.732 1.00 0.00 C ATOM 1029 C ILE A 68 71.066 -2.926 20.898 1.00 0.00 C ATOM 1030 O ILE A 68 71.349 -3.643 21.857 1.00 0.00 O ATOM 1031 CB ILE A 68 70.796 -0.521 20.051 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.807 -0.655 18.505 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.261 0.906 20.383 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.411 -0.399 17.911 1.00 0.00 C ATOM 0 H ILE A 68 73.048 -1.129 19.140 1.00 0.00 H new ATOM 0 HA ILE A 68 71.968 -1.180 21.733 1.00 0.00 H new ATOM 0 HB ILE A 68 69.792 -0.719 20.426 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.520 0.053 18.082 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.145 -1.653 18.227 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.596 1.626 19.906 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.240 1.053 21.463 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.277 1.052 20.016 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.453 -0.500 16.827 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.705 -1.124 18.316 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.085 0.609 18.169 1.00 0.00 H new ATOM 1046 N HIS A 69 70.180 -3.287 19.976 1.00 0.00 N ATOM 1047 CA HIS A 69 69.486 -4.566 20.052 1.00 0.00 C ATOM 1048 C HIS A 69 70.457 -5.727 19.854 1.00 0.00 C ATOM 1049 O HIS A 69 71.155 -5.797 18.840 1.00 0.00 O ATOM 1050 CB HIS A 69 68.404 -4.628 18.976 1.00 0.00 C ATOM 1051 CG HIS A 69 67.847 -6.023 18.903 1.00 0.00 C ATOM 1052 ND1 HIS A 69 66.981 -6.520 19.865 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.018 -7.034 17.987 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.671 -7.783 19.510 1.00 0.00 C ATOM 1055 NE2 HIS A 69 67.274 -8.144 18.372 1.00 0.00 N ATOM 0 H HIS A 69 69.927 -2.714 19.171 1.00 0.00 H new ATOM 0 HA HIS A 69 69.035 -4.651 21.041 1.00 0.00 H new ATOM 0 HB2 HIS A 69 67.608 -3.919 19.204 1.00 0.00 H new ATOM 0 HB3 HIS A 69 68.820 -4.340 18.010 1.00 0.00 H new ATOM 0 HD2 HIS A 69 68.636 -6.975 17.103 1.00 0.00 H new ATOM 0 HE1 HIS A 69 66.014 -8.426 20.077 1.00 0.00 H new ATOM 0 HE2 HIS A 69 67.203 -9.040 17.890 1.00 0.00 H new ATOM 1063 N HIS A 70 70.478 -6.634 20.828 1.00 0.00 N ATOM 1064 CA HIS A 70 71.350 -7.806 20.772 1.00 0.00 C ATOM 1065 C HIS A 70 70.773 -8.848 19.818 1.00 0.00 C ATOM 1066 O HIS A 70 69.554 -9.030 19.765 1.00 0.00 O ATOM 1067 CB HIS A 70 71.479 -8.417 22.168 1.00 0.00 C ATOM 1068 CG HIS A 70 72.250 -7.483 23.058 1.00 0.00 C ATOM 1069 ND1 HIS A 70 71.639 -6.441 23.747 1.00 0.00 N ATOM 1070 CD2 HIS A 70 73.579 -7.420 23.389 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.599 -5.810 24.455 1.00 0.00 C ATOM 1072 NE2 HIS A 70 73.796 -6.367 24.270 1.00 0.00 N ATOM 0 H HIS A 70 69.900 -6.580 21.667 1.00 0.00 H new ATOM 0 HA HIS A 70 72.331 -7.497 20.413 1.00 0.00 H new ATOM 0 HB2 HIS A 70 70.490 -8.602 22.588 1.00 0.00 H new ATOM 0 HB3 HIS A 70 71.986 -9.380 22.109 1.00 0.00 H new ATOM 0 HD2 HIS A 70 74.343 -8.089 23.020 1.00 0.00 H new ATOM 0 HE1 HIS A 70 72.420 -4.958 25.094 1.00 0.00 H new ATOM 0 HE2 HIS A 70 74.682 -6.081 24.686 1.00 0.00 H new ATOM 1080 N GLN A 71 71.658 -9.522 19.069 1.00 0.00 N ATOM 1081 CA GLN A 71 71.245 -10.557 18.111 1.00 0.00 C ATOM 1082 C GLN A 71 72.389 -11.550 17.905 1.00 0.00 C ATOM 1083 O GLN A 71 73.562 -11.172 17.923 1.00 0.00 O ATOM 1084 CB GLN A 71 70.869 -9.910 16.757 1.00 0.00 C ATOM 1085 CG GLN A 71 69.898 -10.806 15.963 1.00 0.00 C ATOM 1086 CD GLN A 71 69.736 -10.272 14.543 1.00 0.00 C ATOM 1087 OE1 GLN A 71 70.047 -9.112 14.265 1.00 0.00 O ATOM 1088 NE2 GLN A 71 69.251 -11.055 13.621 1.00 0.00 N ATOM 0 H GLN A 71 72.666 -9.368 19.109 1.00 0.00 H new ATOM 0 HA GLN A 71 70.375 -11.080 18.507 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.410 -8.937 16.931 1.00 0.00 H new ATOM 0 HB3 GLN A 71 71.771 -9.737 16.170 1.00 0.00 H new ATOM 0 HG2 GLN A 71 70.275 -11.828 15.935 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.929 -10.837 16.461 1.00 0.00 H new ATOM 0 HE21 GLN A 71 68.994 -12.015 13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 71 69.129 -10.708 12.670 1.00 0.00 H new ATOM 1097 N HIS A 72 72.033 -12.818 17.702 1.00 0.00 N ATOM 1098 CA HIS A 72 73.023 -13.871 17.486 1.00 0.00 C ATOM 1099 C HIS A 72 73.621 -13.764 16.087 1.00 0.00 C ATOM 1100 O HIS A 72 72.904 -13.544 15.112 1.00 0.00 O ATOM 1101 CB HIS A 72 72.366 -15.242 17.658 1.00 0.00 C ATOM 1102 CG HIS A 72 71.861 -15.384 19.068 1.00 0.00 C ATOM 1103 ND1 HIS A 72 72.713 -15.602 20.135 1.00 0.00 N ATOM 1104 CD2 HIS A 72 70.595 -15.338 19.598 1.00 0.00 C ATOM 1105 CE1 HIS A 72 71.952 -15.677 21.245 1.00 0.00 C ATOM 1106 NE2 HIS A 72 70.654 -15.530 20.974 1.00 0.00 N ATOM 0 H HIS A 72 71.066 -13.141 17.683 1.00 0.00 H new ATOM 0 HA HIS A 72 73.821 -13.753 18.219 1.00 0.00 H new ATOM 0 HB2 HIS A 72 71.542 -15.353 16.953 1.00 0.00 H new ATOM 0 HB3 HIS A 72 73.084 -16.031 17.437 1.00 0.00 H new ATOM 0 HD2 HIS A 72 69.690 -15.177 19.031 1.00 0.00 H new ATOM 0 HE1 HIS A 72 72.347 -15.837 22.237 1.00 0.00 H new ATOM 0 HE2 HIS A 72 69.875 -15.553 21.632 1.00 0.00 H new ATOM 1114 N HIS A 73 74.938 -13.924 15.995 1.00 0.00 N ATOM 1115 CA HIS A 73 75.621 -13.844 14.709 1.00 0.00 C ATOM 1116 C HIS A 73 75.130 -14.939 13.765 1.00 0.00 C ATOM 1117 O HIS A 73 74.879 -14.686 12.587 1.00 0.00 O ATOM 1118 CB HIS A 73 77.132 -13.977 14.907 1.00 0.00 C ATOM 1119 CG HIS A 73 77.673 -12.705 15.498 1.00 0.00 C ATOM 1120 ND1 HIS A 73 77.904 -11.569 14.731 1.00 0.00 N ATOM 1121 CD2 HIS A 73 78.034 -12.367 16.778 1.00 0.00 C ATOM 1122 CE1 HIS A 73 78.380 -10.615 15.545 1.00 0.00 C ATOM 1123 NE2 HIS A 73 78.480 -11.048 16.805 1.00 0.00 N ATOM 0 H HIS A 73 75.550 -14.109 16.790 1.00 0.00 H new ATOM 0 HA HIS A 73 75.398 -12.874 14.265 1.00 0.00 H new ATOM 0 HB2 HIS A 73 77.351 -14.818 15.565 1.00 0.00 H new ATOM 0 HB3 HIS A 73 77.618 -14.183 13.953 1.00 0.00 H new ATOM 0 HD2 HIS A 73 77.980 -13.024 17.634 1.00 0.00 H new ATOM 0 HE1 HIS A 73 78.649 -9.620 15.222 1.00 0.00 H new ATOM 0 HE2 HIS A 73 78.812 -10.524 17.615 1.00 0.00 H new ATOM 1131 N HIS A 74 74.994 -16.152 14.295 1.00 0.00 N ATOM 1132 CA HIS A 74 74.533 -17.281 13.493 1.00 0.00 C ATOM 1133 C HIS A 74 73.051 -17.129 13.161 1.00 0.00 C ATOM 1134 O HIS A 74 72.264 -16.674 13.991 1.00 0.00 O ATOM 1135 CB HIS A 74 74.758 -18.587 14.254 1.00 0.00 C ATOM 1136 CG HIS A 74 76.235 -18.851 14.370 1.00 0.00 C ATOM 1137 ND1 HIS A 74 77.014 -18.260 15.352 1.00 0.00 N ATOM 1138 CD2 HIS A 74 77.084 -19.633 13.631 1.00 0.00 C ATOM 1139 CE1 HIS A 74 78.273 -18.695 15.174 1.00 0.00 C ATOM 1140 NE2 HIS A 74 78.374 -19.533 14.142 1.00 0.00 N ATOM 0 H HIS A 74 75.195 -16.377 15.269 1.00 0.00 H new ATOM 0 HA HIS A 74 75.102 -17.302 12.563 1.00 0.00 H new ATOM 0 HB2 HIS A 74 74.310 -18.525 15.246 1.00 0.00 H new ATOM 0 HB3 HIS A 74 74.270 -19.412 13.735 1.00 0.00 H new ATOM 0 HD2 HIS A 74 76.796 -20.235 12.782 1.00 0.00 H new ATOM 0 HE1 HIS A 74 79.106 -18.400 15.795 1.00 0.00 H new ATOM 0 HE2 HIS A 74 79.215 -20.000 13.801 1.00 0.00 H new ATOM 1148 N GLY A 75 72.680 -17.510 11.944 1.00 0.00 N ATOM 1149 CA GLY A 75 71.291 -17.408 11.513 1.00 0.00 C ATOM 1150 C GLY A 75 70.389 -18.294 12.364 1.00 0.00 C ATOM 1151 O GLY A 75 69.247 -17.935 12.655 1.00 0.00 O ATOM 0 H GLY A 75 73.316 -17.890 11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 75 70.960 -16.372 11.583 1.00 0.00 H new ATOM 0 HA3 GLY A 75 71.209 -17.699 10.466 1.00 0.00 H new ATOM 1155 N GLY A 76 70.907 -19.453 12.758 1.00 0.00 N ATOM 1156 CA GLY A 76 70.139 -20.386 13.577 1.00 0.00 C ATOM 1157 C GLY A 76 71.026 -21.513 14.096 1.00 0.00 C ATOM 1158 O GLY A 76 72.178 -21.647 13.683 1.00 0.00 O ATOM 0 H GLY A 76 71.849 -19.768 12.526 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.691 -19.855 14.417 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.321 -20.803 12.990 1.00 0.00 H new ATOM 1162 N SER A 77 70.478 -22.317 15.003 1.00 0.00 N ATOM 1163 CA SER A 77 71.223 -23.434 15.577 1.00 0.00 C ATOM 1164 C SER A 77 71.401 -24.542 14.545 1.00 0.00 C ATOM 1165 O SER A 77 70.654 -24.617 13.569 1.00 0.00 O ATOM 1166 CB SER A 77 70.476 -23.986 16.791 1.00 0.00 C ATOM 1167 OG SER A 77 69.268 -24.598 16.359 1.00 0.00 O ATOM 0 H SER A 77 69.526 -22.217 15.355 1.00 0.00 H new ATOM 0 HA SER A 77 72.205 -23.074 15.884 1.00 0.00 H new ATOM 0 HB2 SER A 77 71.097 -24.711 17.316 1.00 0.00 H new ATOM 0 HB3 SER A 77 70.259 -23.183 17.495 1.00 0.00 H new ATOM 0 HG SER A 77 68.787 -24.955 17.134 1.00 0.00 H new ATOM 1173 N MET A 78 72.395 -25.402 14.772 1.00 0.00 N ATOM 1174 CA MET A 78 72.667 -26.509 13.858 1.00 0.00 C ATOM 1175 C MET A 78 71.595 -27.583 14.009 1.00 0.00 C ATOM 1176 O MET A 78 71.181 -27.908 15.123 1.00 0.00 O ATOM 1177 CB MET A 78 74.046 -27.125 14.164 1.00 0.00 C ATOM 1178 CG MET A 78 75.188 -26.140 13.832 1.00 0.00 C ATOM 1179 SD MET A 78 76.782 -26.869 14.311 1.00 0.00 S ATOM 1180 CE MET A 78 76.956 -26.138 15.964 1.00 0.00 C ATOM 0 H MET A 78 73.021 -25.353 15.576 1.00 0.00 H new ATOM 0 HA MET A 78 72.661 -26.126 12.837 1.00 0.00 H new ATOM 0 HB2 MET A 78 74.097 -27.402 15.217 1.00 0.00 H new ATOM 0 HB3 MET A 78 74.174 -28.041 13.587 1.00 0.00 H new ATOM 0 HG2 MET A 78 75.187 -25.912 12.766 1.00 0.00 H new ATOM 0 HG3 MET A 78 75.034 -25.199 14.359 1.00 0.00 H new ATOM 0 HE1 MET A 78 77.888 -26.477 16.416 1.00 0.00 H new ATOM 0 HE2 MET A 78 76.967 -25.051 15.882 1.00 0.00 H new ATOM 0 HE3 MET A 78 76.117 -26.446 16.588 1.00 0.00 H new ATOM 1190 N GLY A 79 71.146 -28.127 12.881 1.00 0.00 N ATOM 1191 CA GLY A 79 70.116 -29.162 12.893 1.00 0.00 C ATOM 1192 C GLY A 79 68.759 -28.570 13.255 1.00 0.00 C ATOM 1193 O GLY A 79 68.611 -27.351 13.355 1.00 0.00 O ATOM 0 H GLY A 79 71.477 -27.870 11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 79 70.061 -29.638 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 79 70.382 -29.938 13.610 1.00 0.00 H new ATOM 1197 N MET A 80 67.772 -29.444 13.452 1.00 0.00 N ATOM 1198 CA MET A 80 66.420 -29.006 13.804 1.00 0.00 C ATOM 1199 C MET A 80 66.387 -28.527 15.252 1.00 0.00 C ATOM 1200 O MET A 80 67.079 -29.073 16.111 1.00 0.00 O ATOM 1201 CB MET A 80 65.422 -30.166 13.631 1.00 0.00 C ATOM 1202 CG MET A 80 65.254 -30.544 12.143 1.00 0.00 C ATOM 1203 SD MET A 80 64.191 -32.011 12.000 1.00 0.00 S ATOM 1204 CE MET A 80 65.474 -33.297 11.937 1.00 0.00 C ATOM 0 H MET A 80 67.882 -30.455 13.374 1.00 0.00 H new ATOM 0 HA MET A 80 66.139 -28.187 13.142 1.00 0.00 H new ATOM 0 HB2 MET A 80 65.769 -31.034 14.192 1.00 0.00 H new ATOM 0 HB3 MET A 80 64.456 -29.882 14.048 1.00 0.00 H new ATOM 0 HG2 MET A 80 64.816 -29.711 11.593 1.00 0.00 H new ATOM 0 HG3 MET A 80 66.228 -30.744 11.696 1.00 0.00 H new ATOM 0 HE1 MET A 80 65.004 -34.276 11.848 1.00 0.00 H new ATOM 0 HE2 MET A 80 66.119 -33.125 11.076 1.00 0.00 H new ATOM 0 HE3 MET A 80 66.069 -33.262 12.849 1.00 0.00 H new ATOM 1214 N SER A 81 65.583 -27.499 15.512 1.00 0.00 N ATOM 1215 CA SER A 81 65.469 -26.948 16.858 1.00 0.00 C ATOM 1216 C SER A 81 64.950 -28.000 17.834 1.00 0.00 C ATOM 1217 O SER A 81 65.463 -28.132 18.945 1.00 0.00 O ATOM 1218 CB SER A 81 64.524 -25.748 16.850 1.00 0.00 C ATOM 1219 OG SER A 81 64.158 -25.429 18.186 1.00 0.00 O ATOM 0 H SER A 81 65.004 -27.034 14.813 1.00 0.00 H new ATOM 0 HA SER A 81 66.460 -26.631 17.182 1.00 0.00 H new ATOM 0 HB2 SER A 81 65.008 -24.892 16.379 1.00 0.00 H new ATOM 0 HB3 SER A 81 63.635 -25.975 16.261 1.00 0.00 H new ATOM 0 HG SER A 81 63.553 -24.658 18.184 1.00 0.00 H new ATOM 1225 N GLY A 82 63.932 -28.742 17.411 1.00 0.00 N ATOM 1226 CA GLY A 82 63.354 -29.781 18.258 1.00 0.00 C ATOM 1227 C GLY A 82 62.376 -30.644 17.467 1.00 0.00 C ATOM 1228 O GLY A 82 61.990 -30.297 16.351 1.00 0.00 O ATOM 0 H GLY A 82 63.493 -28.646 16.495 1.00 0.00 H new ATOM 0 HA2 GLY A 82 64.148 -30.406 18.668 1.00 0.00 H new ATOM 0 HA3 GLY A 82 62.840 -29.323 19.103 1.00 0.00 H new ATOM 1232 N SER A 83 61.981 -31.770 18.060 1.00 0.00 N ATOM 1233 CA SER A 83 61.047 -32.685 17.410 1.00 0.00 C ATOM 1234 C SER A 83 59.639 -32.098 17.401 1.00 0.00 C ATOM 1235 O SER A 83 59.339 -31.172 18.155 1.00 0.00 O ATOM 1236 CB SER A 83 61.036 -34.024 18.148 1.00 0.00 C ATOM 1237 OG SER A 83 60.459 -33.846 19.436 1.00 0.00 O ATOM 0 H SER A 83 62.292 -32.068 18.984 1.00 0.00 H new ATOM 0 HA SER A 83 61.371 -32.837 16.380 1.00 0.00 H new ATOM 0 HB2 SER A 83 60.467 -34.760 17.581 1.00 0.00 H new ATOM 0 HB3 SER A 83 62.051 -34.409 18.242 1.00 0.00 H new ATOM 0 HG SER A 83 60.449 -34.703 19.911 1.00 0.00 H new ATOM 1243 N GLY A 84 58.786 -32.645 16.537 1.00 0.00 N ATOM 1244 CA GLY A 84 57.408 -32.173 16.426 1.00 0.00 C ATOM 1245 C GLY A 84 57.350 -30.825 15.716 1.00 0.00 C ATOM 1246 O GLY A 84 58.383 -30.194 15.483 1.00 0.00 O ATOM 0 H GLY A 84 59.023 -33.411 15.907 1.00 0.00 H new ATOM 0 HA2 GLY A 84 56.812 -32.903 15.878 1.00 0.00 H new ATOM 0 HA3 GLY A 84 56.969 -32.084 17.420 1.00 0.00 H new ATOM 1250 N THR A 85 56.134 -30.395 15.380 1.00 0.00 N ATOM 1251 CA THR A 85 55.930 -29.119 14.692 1.00 0.00 C ATOM 1252 C THR A 85 56.073 -27.954 15.669 1.00 0.00 C ATOM 1253 O THR A 85 56.053 -28.149 16.886 1.00 0.00 O ATOM 1254 CB THR A 85 54.533 -29.088 14.057 1.00 0.00 C ATOM 1255 OG1 THR A 85 53.580 -29.562 14.995 1.00 0.00 O ATOM 1256 CG2 THR A 85 54.499 -29.969 12.800 1.00 0.00 C ATOM 0 H THR A 85 55.275 -30.911 15.573 1.00 0.00 H new ATOM 0 HA THR A 85 56.687 -29.020 13.914 1.00 0.00 H new ATOM 0 HB THR A 85 54.294 -28.063 13.774 1.00 0.00 H new ATOM 0 HG1 THR A 85 52.687 -29.542 14.593 1.00 0.00 H new ATOM 0 HG21 THR A 85 53.502 -29.937 12.360 1.00 0.00 H new ATOM 0 HG22 THR A 85 55.226 -29.600 12.077 1.00 0.00 H new ATOM 0 HG23 THR A 85 54.744 -30.996 13.069 1.00 0.00 H new ATOM 1264 N GLY A 86 56.220 -26.745 15.121 1.00 0.00 N ATOM 1265 CA GLY A 86 56.368 -25.538 15.934 1.00 0.00 C ATOM 1266 C GLY A 86 57.784 -25.421 16.487 1.00 0.00 C ATOM 1267 O GLY A 86 58.040 -24.605 17.374 1.00 0.00 O ATOM 0 H GLY A 86 56.240 -26.577 14.115 1.00 0.00 H new ATOM 0 HA2 GLY A 86 56.135 -24.659 15.332 1.00 0.00 H new ATOM 0 HA3 GLY A 86 55.653 -25.560 16.757 1.00 0.00 H new ATOM 1271 N TYR A 87 58.690 -26.248 15.950 1.00 0.00 N ATOM 1272 CA TYR A 87 60.099 -26.261 16.367 1.00 0.00 C ATOM 1273 C TYR A 87 60.974 -26.768 15.221 1.00 0.00 C ATOM 1274 O TYR A 87 61.165 -27.969 15.133 1.00 0.00 O ATOM 1275 CB TYR A 87 60.295 -27.175 17.589 1.00 0.00 C ATOM 1276 CG TYR A 87 59.742 -26.495 18.850 1.00 0.00 C ATOM 1277 CD1 TYR A 87 60.533 -25.569 19.539 1.00 0.00 C ATOM 1278 CD2 TYR A 87 58.451 -26.790 19.313 1.00 0.00 C ATOM 1279 CE1 TYR A 87 60.039 -24.935 20.689 1.00 0.00 C ATOM 1280 CE2 TYR A 87 57.953 -26.155 20.457 1.00 0.00 C ATOM 1281 CZ TYR A 87 58.745 -25.229 21.141 1.00 0.00 C ATOM 1282 OH TYR A 87 58.255 -24.602 22.268 1.00 0.00 O ATOM 1283 OXT TYR A 87 61.436 -25.945 14.448 1.00 0.00 O ATOM 0 H TYR A 87 58.469 -26.924 15.218 1.00 0.00 H new ATOM 0 HA TYR A 87 60.386 -25.244 16.633 1.00 0.00 H new ATOM 0 HB2 TYR A 87 59.788 -28.126 17.427 1.00 0.00 H new ATOM 0 HB3 TYR A 87 61.354 -27.397 17.721 1.00 0.00 H new ATOM 0 HD1 TYR A 87 61.527 -25.341 19.184 1.00 0.00 H new ATOM 0 HD2 TYR A 87 57.840 -27.508 18.786 1.00 0.00 H new ATOM 0 HE1 TYR A 87 60.652 -24.224 21.223 1.00 0.00 H new ATOM 0 HE2 TYR A 87 56.958 -26.381 20.810 1.00 0.00 H new ATOM 0 HH TYR A 87 57.344 -24.915 22.447 1.00 0.00 H new TER 1293 TYR A 87 HETATM 1294 ZN ZN A 101 70.635 -0.407 12.775 1.00 0.00 ZN HETATM 1295 ZN ZN A 102 61.274 7.464 14.678 1.00 0.00 ZN