USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 627 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 49 CYS SG : rot 94:sc= -12! USER MOD Set 1.2: A 78 CYS SG : rot 143:sc= -10.6! USER MOD Set 2.1: A 12 HIS : no HE2:sc= 0.884 K(o=1.6,f=-3.7!) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -134:sc= 0.749 (180deg=-0.775) USER MOD Single : A 1 LEU N :NH3+ -119:sc= 0.106 (180deg=-0.00479) USER MOD Single : A 5 THR OG1 : rot -140:sc= -0.455 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -139:sc= -0.0618 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0436) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -71:sc= 0.579 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.36) USER MOD Single : A 37 THR OG1 : rot 120:sc= -0.0841 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0.0574 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc=-0.00179 X(o=-0.0018,f=-0.15) USER MOD Single : A 48 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 50 GLN : amide:sc= -2.38! C(o=-2.4!,f=-1.6!) USER MOD Single : A 55 HIS : no HD1:sc= -2.29! K(o=-2.3!,f=0.68) USER MOD Single : A 58 SER OG : rot 165:sc= -3.36! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -6.16! C(o=-6.2!,f=-3.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 161:sc= 0.0154 USER MOD Single : A 80 LYS NZ :NH3+ -114:sc= 1.22 (180deg=-0.251) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -18.311 3.594 -3.666 1.00 0.00 N ATOM 2 CA LEU A 1 -16.990 3.945 -3.100 1.00 0.00 C ATOM 3 C LEU A 1 -16.272 4.946 -3.995 1.00 0.00 C ATOM 4 O LEU A 1 -16.685 5.171 -5.132 1.00 0.00 O ATOM 5 CB LEU A 1 -16.130 2.687 -2.933 1.00 0.00 C ATOM 6 CG LEU A 1 -16.533 1.763 -1.795 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.741 0.467 -1.858 1.00 0.00 C ATOM 8 CD2 LEU A 1 -16.328 2.440 -0.450 1.00 0.00 C ATOM 0 H1 LEU A 1 -19.059 3.866 -2.997 1.00 0.00 H new ATOM 0 H2 LEU A 1 -18.449 4.100 -4.564 1.00 0.00 H new ATOM 0 H3 LEU A 1 -18.355 2.569 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 1 -17.148 4.400 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -16.160 2.122 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -15.095 2.994 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 1 -17.593 1.532 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -16.041 -0.183 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -15.936 -0.033 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.677 0.687 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -16.623 1.759 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -15.277 2.704 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -16.937 3.343 -0.401 1.00 0.00 H new ATOM 22 N PRO A 2 -15.204 5.580 -3.482 1.00 0.00 N ATOM 23 CA PRO A 2 -14.363 6.495 -4.265 1.00 0.00 C ATOM 24 C PRO A 2 -13.747 5.825 -5.493 1.00 0.00 C ATOM 25 O PRO A 2 -13.759 4.597 -5.613 1.00 0.00 O ATOM 26 CB PRO A 2 -13.269 6.902 -3.278 1.00 0.00 C ATOM 27 CG PRO A 2 -13.889 6.710 -1.941 1.00 0.00 C ATOM 28 CD PRO A 2 -14.749 5.490 -2.085 1.00 0.00 C ATOM 0 HA PRO A 2 -14.938 7.332 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.378 6.285 -3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.962 7.937 -3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.131 6.570 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.481 7.578 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.187 4.574 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.585 5.498 -1.385 1.00 0.00 H new ATOM 36 N ARG A 3 -13.191 6.647 -6.374 1.00 0.00 N ATOM 37 CA ARG A 3 -12.678 6.211 -7.676 1.00 0.00 C ATOM 38 C ARG A 3 -11.844 4.929 -7.606 1.00 0.00 C ATOM 39 O ARG A 3 -12.083 3.984 -8.357 1.00 0.00 O ATOM 40 CB ARG A 3 -11.825 7.333 -8.273 1.00 0.00 C ATOM 41 CG ARG A 3 -11.150 6.970 -9.584 1.00 0.00 C ATOM 42 CD ARG A 3 -10.237 8.087 -10.056 1.00 0.00 C ATOM 43 NE ARG A 3 -9.502 7.722 -11.262 1.00 0.00 N ATOM 44 CZ ARG A 3 -8.518 8.450 -11.781 1.00 0.00 C ATOM 45 NH1 ARG A 3 -8.162 9.598 -11.214 1.00 0.00 N ATOM 46 NH2 ARG A 3 -7.891 8.030 -12.871 1.00 0.00 N ATOM 0 H ARG A 3 -13.080 7.647 -6.207 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.543 5.989 -8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.455 8.208 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.061 7.617 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.573 6.054 -9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.906 6.769 -10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.829 8.981 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.531 8.337 -9.264 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.758 6.856 -11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.644 9.924 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.406 10.153 -11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.164 7.150 -13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.136 8.587 -13.271 1.00 0.00 H new ATOM 60 N ASP A 4 -10.870 4.903 -6.711 1.00 0.00 N ATOM 61 CA ASP A 4 -9.883 3.825 -6.694 1.00 0.00 C ATOM 62 C ASP A 4 -9.975 2.958 -5.449 1.00 0.00 C ATOM 63 O ASP A 4 -9.083 2.153 -5.198 1.00 0.00 O ATOM 64 CB ASP A 4 -8.474 4.396 -6.804 1.00 0.00 C ATOM 65 CG ASP A 4 -8.239 5.116 -8.108 1.00 0.00 C ATOM 66 OD1 ASP A 4 -8.240 4.451 -9.162 1.00 0.00 O ATOM 67 OD2 ASP A 4 -8.040 6.346 -8.086 1.00 0.00 O ATOM 0 H ASP A 4 -10.738 5.610 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.103 3.192 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.300 5.084 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.750 3.588 -6.704 1.00 0.00 H new ATOM 72 N THR A 5 -11.026 3.111 -4.660 1.00 0.00 N ATOM 73 CA THR A 5 -11.129 2.349 -3.424 1.00 0.00 C ATOM 74 C THR A 5 -11.434 0.883 -3.707 1.00 0.00 C ATOM 75 O THR A 5 -10.660 0.006 -3.331 1.00 0.00 O ATOM 76 CB THR A 5 -12.191 2.921 -2.472 1.00 0.00 C ATOM 77 OG1 THR A 5 -11.842 4.263 -2.108 1.00 0.00 O ATOM 78 CG2 THR A 5 -12.300 2.067 -1.220 1.00 0.00 C ATOM 0 H THR A 5 -11.806 3.742 -4.846 1.00 0.00 H new ATOM 0 HA THR A 5 -10.159 2.427 -2.933 1.00 0.00 H new ATOM 0 HB THR A 5 -13.154 2.919 -2.983 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.039 4.406 -1.159 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.057 2.487 -0.558 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.583 1.051 -1.496 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.338 2.049 -0.707 1.00 0.00 H new ATOM 86 N SER A 6 -12.541 0.628 -4.400 1.00 0.00 N ATOM 87 CA SER A 6 -12.948 -0.734 -4.725 1.00 0.00 C ATOM 88 C SER A 6 -11.840 -1.424 -5.515 1.00 0.00 C ATOM 89 O SER A 6 -11.625 -2.633 -5.407 1.00 0.00 O ATOM 90 CB SER A 6 -14.247 -0.701 -5.526 1.00 0.00 C ATOM 91 OG SER A 6 -14.781 -2.002 -5.717 1.00 0.00 O ATOM 0 H SER A 6 -13.173 1.350 -4.747 1.00 0.00 H new ATOM 0 HA SER A 6 -13.121 -1.297 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.978 -0.080 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.065 -0.237 -6.495 1.00 0.00 H new ATOM 0 HG SER A 6 -15.613 -1.942 -6.232 1.00 0.00 H new ATOM 97 N ARG A 7 -11.141 -0.621 -6.297 1.00 0.00 N ATOM 98 CA ARG A 7 -9.964 -1.053 -7.026 1.00 0.00 C ATOM 99 C ARG A 7 -8.859 -1.484 -6.066 1.00 0.00 C ATOM 100 O ARG A 7 -8.390 -2.619 -6.108 1.00 0.00 O ATOM 101 CB ARG A 7 -9.477 0.108 -7.899 1.00 0.00 C ATOM 102 CG ARG A 7 -8.066 -0.052 -8.436 1.00 0.00 C ATOM 103 CD ARG A 7 -7.373 1.297 -8.545 1.00 0.00 C ATOM 104 NE ARG A 7 -6.013 1.182 -9.064 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.316 2.195 -9.590 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.868 3.394 -9.733 1.00 0.00 N ATOM 107 NH2 ARG A 7 -4.064 2.000 -9.986 1.00 0.00 N ATOM 0 H ARG A 7 -11.378 0.360 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.220 -1.910 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.161 0.224 -8.740 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.528 1.029 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.494 -0.707 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.097 -0.530 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.954 1.950 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.346 1.769 -7.563 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.564 0.267 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.833 3.549 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.327 4.160 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.636 1.079 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.530 2.771 -10.388 1.00 0.00 H new ATOM 121 N CYS A 8 -8.474 -0.576 -5.180 1.00 0.00 N ATOM 122 CA CYS A 8 -7.297 -0.767 -4.349 1.00 0.00 C ATOM 123 C CYS A 8 -7.462 -1.925 -3.371 1.00 0.00 C ATOM 124 O CYS A 8 -6.504 -2.653 -3.124 1.00 0.00 O ATOM 125 CB CYS A 8 -6.977 0.497 -3.568 1.00 0.00 C ATOM 126 SG CYS A 8 -5.206 0.697 -3.197 1.00 0.00 S ATOM 0 H CYS A 8 -8.964 0.304 -5.019 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.476 -1.003 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.320 1.362 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.537 0.487 -2.633 1.00 0.00 H new ATOM 131 N VAL A 9 -8.671 -2.099 -2.832 1.00 0.00 N ATOM 132 CA VAL A 9 -8.925 -3.124 -1.813 1.00 0.00 C ATOM 133 C VAL A 9 -8.433 -4.493 -2.265 1.00 0.00 C ATOM 134 O VAL A 9 -7.824 -5.236 -1.492 1.00 0.00 O ATOM 135 CB VAL A 9 -10.422 -3.222 -1.451 1.00 0.00 C ATOM 136 CG1 VAL A 9 -10.652 -4.267 -0.367 1.00 0.00 C ATOM 137 CG2 VAL A 9 -10.957 -1.873 -1.007 1.00 0.00 C ATOM 0 H VAL A 9 -9.490 -1.545 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.370 -2.815 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.964 -3.531 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.715 -4.317 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.313 -5.240 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.093 -3.993 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.014 -1.965 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.405 -1.533 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.837 -1.150 -1.814 1.00 0.00 H new ATOM 147 N GLY A 10 -8.675 -4.813 -3.525 1.00 0.00 N ATOM 148 CA GLY A 10 -8.253 -6.096 -4.044 1.00 0.00 C ATOM 149 C GLY A 10 -6.777 -6.127 -4.393 1.00 0.00 C ATOM 150 O GLY A 10 -6.171 -7.197 -4.451 1.00 0.00 O ATOM 0 H GLY A 10 -9.154 -4.211 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.464 -6.870 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.838 -6.335 -4.932 1.00 0.00 H new ATOM 154 N TYR A 11 -6.195 -4.958 -4.622 1.00 0.00 N ATOM 155 CA TYR A 11 -4.812 -4.867 -5.053 1.00 0.00 C ATOM 156 C TYR A 11 -3.860 -4.694 -3.878 1.00 0.00 C ATOM 157 O TYR A 11 -3.050 -5.570 -3.587 1.00 0.00 O ATOM 158 CB TYR A 11 -4.633 -3.719 -6.041 1.00 0.00 C ATOM 159 CG TYR A 11 -5.226 -4.003 -7.398 1.00 0.00 C ATOM 160 CD1 TYR A 11 -6.136 -3.133 -7.973 1.00 0.00 C ATOM 161 CD2 TYR A 11 -4.880 -5.150 -8.096 1.00 0.00 C ATOM 162 CE1 TYR A 11 -6.688 -3.394 -9.212 1.00 0.00 C ATOM 163 CE2 TYR A 11 -5.424 -5.421 -9.334 1.00 0.00 C ATOM 164 CZ TYR A 11 -6.330 -4.541 -9.888 1.00 0.00 C ATOM 165 OH TYR A 11 -6.875 -4.806 -11.124 1.00 0.00 O ATOM 0 H TYR A 11 -6.663 -4.058 -4.515 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.566 -5.808 -5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.095 -2.821 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.570 -3.508 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.419 -2.235 -7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.173 -5.842 -7.663 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.395 -2.704 -9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.142 -6.317 -9.867 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.517 -5.652 -11.465 1.00 0.00 H new ATOM 175 N HIS A 12 -3.970 -3.561 -3.194 1.00 0.00 N ATOM 176 CA HIS A 12 -2.982 -3.184 -2.191 1.00 0.00 C ATOM 177 C HIS A 12 -3.630 -3.068 -0.817 1.00 0.00 C ATOM 178 O HIS A 12 -3.099 -2.408 0.074 1.00 0.00 O ATOM 179 CB HIS A 12 -2.301 -1.854 -2.556 1.00 0.00 C ATOM 180 CG HIS A 12 -2.111 -1.641 -4.027 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.719 -0.617 -4.716 1.00 0.00 N ATOM 182 CD2 HIS A 12 -1.384 -2.327 -4.941 1.00 0.00 C ATOM 183 CE1 HIS A 12 -2.381 -0.684 -5.989 1.00 0.00 C ATOM 184 NE2 HIS A 12 -1.570 -1.710 -6.153 1.00 0.00 N ATOM 0 H HIS A 12 -4.729 -2.891 -3.315 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.224 -3.967 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.896 -1.033 -2.156 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.328 -1.811 -2.066 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -3.335 0.085 -4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.772 -3.197 -4.752 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.713 -0.011 -6.766 1.00 0.00 H new ATOM 193 N GLY A 13 -4.778 -3.713 -0.655 1.00 0.00 N ATOM 194 CA GLY A 13 -5.420 -3.773 0.643 1.00 0.00 C ATOM 195 C GLY A 13 -6.558 -2.786 0.792 1.00 0.00 C ATOM 196 O GLY A 13 -6.840 -2.011 -0.116 1.00 0.00 O ATOM 0 H GLY A 13 -5.277 -4.197 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.799 -4.782 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.677 -3.581 1.418 1.00 0.00 H new ATOM 200 N TYR A 14 -7.206 -2.819 1.949 1.00 0.00 N ATOM 201 CA TYR A 14 -8.398 -2.014 2.186 1.00 0.00 C ATOM 202 C TYR A 14 -8.032 -0.558 2.449 1.00 0.00 C ATOM 203 O TYR A 14 -6.863 -0.226 2.627 1.00 0.00 O ATOM 204 CB TYR A 14 -9.213 -2.586 3.351 1.00 0.00 C ATOM 205 CG TYR A 14 -8.423 -2.781 4.624 1.00 0.00 C ATOM 206 CD1 TYR A 14 -8.119 -1.704 5.444 1.00 0.00 C ATOM 207 CD2 TYR A 14 -7.986 -4.039 5.007 1.00 0.00 C ATOM 208 CE1 TYR A 14 -7.399 -1.874 6.610 1.00 0.00 C ATOM 209 CE2 TYR A 14 -7.269 -4.219 6.171 1.00 0.00 C ATOM 210 CZ TYR A 14 -6.976 -3.135 6.969 1.00 0.00 C ATOM 211 OH TYR A 14 -6.258 -3.313 8.129 1.00 0.00 O ATOM 0 H TYR A 14 -6.925 -3.397 2.741 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.012 -2.049 1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.051 -1.919 3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.635 -3.544 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.451 -0.715 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.211 -4.892 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.169 -1.024 7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.938 -5.207 6.456 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.539 -3.960 7.973 1.00 0.00 H new ATOM 221 N CYS A 15 -9.039 0.295 2.512 1.00 0.00 N ATOM 222 CA CYS A 15 -8.813 1.729 2.535 1.00 0.00 C ATOM 223 C CYS A 15 -9.335 2.366 3.815 1.00 0.00 C ATOM 224 O CYS A 15 -10.506 2.745 3.902 1.00 0.00 O ATOM 225 CB CYS A 15 -9.490 2.358 1.325 1.00 0.00 C ATOM 226 SG CYS A 15 -9.063 1.546 -0.249 1.00 0.00 S ATOM 0 H CYS A 15 -10.020 0.020 2.548 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.738 1.907 2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.571 2.321 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.212 3.410 1.269 1.00 0.00 H new ATOM 231 N ILE A 16 -8.470 2.467 4.812 1.00 0.00 N ATOM 232 CA ILE A 16 -8.814 3.154 6.051 1.00 0.00 C ATOM 233 C ILE A 16 -8.385 4.609 5.972 1.00 0.00 C ATOM 234 O ILE A 16 -7.848 5.035 4.957 1.00 0.00 O ATOM 235 CB ILE A 16 -8.200 2.482 7.296 1.00 0.00 C ATOM 236 CG1 ILE A 16 -6.671 2.449 7.208 1.00 0.00 C ATOM 237 CG2 ILE A 16 -8.769 1.086 7.461 1.00 0.00 C ATOM 238 CD1 ILE A 16 -6.009 1.716 8.357 1.00 0.00 C ATOM 0 H ILE A 16 -7.525 2.083 4.789 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.897 3.094 6.163 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.461 3.071 8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.380 1.975 6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.296 3.472 7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.331 0.617 8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.851 1.146 7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.534 0.491 6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.927 1.735 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.269 2.203 9.297 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.354 0.682 8.376 1.00 0.00 H new ATOM 250 N ARG A 17 -8.594 5.370 7.027 1.00 0.00 N ATOM 251 CA ARG A 17 -8.303 6.796 6.980 1.00 0.00 C ATOM 252 C ARG A 17 -6.838 7.087 7.300 1.00 0.00 C ATOM 253 O ARG A 17 -6.230 7.991 6.724 1.00 0.00 O ATOM 254 CB ARG A 17 -9.203 7.553 7.955 1.00 0.00 C ATOM 255 CG ARG A 17 -9.030 9.062 7.892 1.00 0.00 C ATOM 256 CD ARG A 17 -9.859 9.766 8.953 1.00 0.00 C ATOM 257 NE ARG A 17 -11.282 9.456 8.842 1.00 0.00 N ATOM 258 CZ ARG A 17 -12.255 10.274 9.237 1.00 0.00 C ATOM 259 NH1 ARG A 17 -11.965 11.462 9.762 1.00 0.00 N ATOM 260 NH2 ARG A 17 -13.522 9.900 9.107 1.00 0.00 N ATOM 0 H ARG A 17 -8.959 5.035 7.918 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.500 7.135 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.243 7.305 7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.994 7.213 8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.978 9.314 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.321 9.421 6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.502 9.476 9.941 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.716 10.843 8.867 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.546 8.558 8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.992 11.751 9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.716 12.084 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.746 8.989 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.271 10.523 9.408 1.00 0.00 H new ATOM 274 N SER A 18 -6.265 6.311 8.199 1.00 0.00 N ATOM 275 CA SER A 18 -4.958 6.632 8.736 1.00 0.00 C ATOM 276 C SER A 18 -3.992 5.463 8.580 1.00 0.00 C ATOM 277 O SER A 18 -4.372 4.389 8.127 1.00 0.00 O ATOM 278 CB SER A 18 -5.120 7.019 10.202 1.00 0.00 C ATOM 279 OG SER A 18 -5.959 8.156 10.340 1.00 0.00 O ATOM 0 H SER A 18 -6.682 5.458 8.571 1.00 0.00 H new ATOM 0 HA SER A 18 -4.532 7.467 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.542 6.182 10.758 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.143 7.229 10.636 1.00 0.00 H new ATOM 0 HG SER A 18 -6.049 8.383 11.289 1.00 0.00 H new ATOM 285 N LYS A 19 -2.742 5.683 8.972 1.00 0.00 N ATOM 286 CA LYS A 19 -1.682 4.686 8.819 1.00 0.00 C ATOM 287 C LYS A 19 -1.705 3.708 9.987 1.00 0.00 C ATOM 288 O LYS A 19 -0.711 3.053 10.299 1.00 0.00 O ATOM 289 CB LYS A 19 -0.327 5.381 8.753 1.00 0.00 C ATOM 290 CG LYS A 19 -0.331 6.621 7.878 1.00 0.00 C ATOM 291 CD LYS A 19 -0.543 6.284 6.411 1.00 0.00 C ATOM 292 CE LYS A 19 -0.834 7.531 5.593 1.00 0.00 C ATOM 293 NZ LYS A 19 0.283 8.510 5.641 1.00 0.00 N ATOM 0 H LYS A 19 -2.433 6.554 9.404 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.849 4.133 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.018 5.657 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.416 4.679 8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.118 7.297 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.615 7.150 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.344 5.788 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.371 5.581 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.022 7.248 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.744 8.003 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.053 9.328 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.424 8.827 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.154 8.060 5.294 1.00 0.00 H new ATOM 307 N VAL A 20 -2.859 3.633 10.621 1.00 0.00 N ATOM 308 CA VAL A 20 -3.077 2.792 11.799 1.00 0.00 C ATOM 309 C VAL A 20 -3.239 1.317 11.408 1.00 0.00 C ATOM 310 O VAL A 20 -4.004 0.577 12.024 1.00 0.00 O ATOM 311 CB VAL A 20 -4.328 3.253 12.583 1.00 0.00 C ATOM 312 CG1 VAL A 20 -4.333 2.684 13.994 1.00 0.00 C ATOM 313 CG2 VAL A 20 -4.406 4.767 12.620 1.00 0.00 C ATOM 0 H VAL A 20 -3.686 4.157 10.335 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.197 2.894 12.434 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.208 2.872 12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.224 3.025 14.521 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.334 1.595 13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.445 3.024 14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.293 5.072 13.176 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.517 5.165 13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.465 5.153 11.602 1.00 0.00 H new ATOM 323 N CYS A 21 -2.544 0.902 10.363 1.00 0.00 N ATOM 324 CA CYS A 21 -2.637 -0.463 9.878 1.00 0.00 C ATOM 325 C CYS A 21 -2.198 -1.460 10.951 1.00 0.00 C ATOM 326 O CYS A 21 -1.119 -1.325 11.534 1.00 0.00 O ATOM 327 CB CYS A 21 -1.768 -0.615 8.636 1.00 0.00 C ATOM 328 SG CYS A 21 -2.074 0.662 7.375 1.00 0.00 S ATOM 0 H CYS A 21 -1.906 1.495 9.832 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.677 -0.676 9.629 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.719 -0.580 8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.944 -1.597 8.197 1.00 0.00 H new ATOM 333 N PRO A 22 -3.045 -2.463 11.237 1.00 0.00 N ATOM 334 CA PRO A 22 -2.708 -3.551 12.157 1.00 0.00 C ATOM 335 C PRO A 22 -1.725 -4.514 11.506 1.00 0.00 C ATOM 336 O PRO A 22 -1.243 -4.247 10.413 1.00 0.00 O ATOM 337 CB PRO A 22 -4.053 -4.232 12.410 1.00 0.00 C ATOM 338 CG PRO A 22 -4.849 -3.963 11.181 1.00 0.00 C ATOM 339 CD PRO A 22 -4.399 -2.620 10.672 1.00 0.00 C ATOM 0 HA PRO A 22 -2.230 -3.206 13.074 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.930 -5.302 12.576 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.542 -3.826 13.296 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.683 -4.738 10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.916 -3.957 11.402 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.383 -2.590 9.583 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.065 -1.823 11.003 1.00 0.00 H new ATOM 347 N LYS A 23 -1.391 -5.609 12.166 1.00 0.00 N ATOM 348 CA LYS A 23 -0.503 -6.579 11.553 1.00 0.00 C ATOM 349 C LYS A 23 -1.234 -7.887 11.226 1.00 0.00 C ATOM 350 O LYS A 23 -2.208 -8.256 11.889 1.00 0.00 O ATOM 351 CB LYS A 23 0.721 -6.832 12.449 1.00 0.00 C ATOM 352 CG LYS A 23 0.562 -7.946 13.472 1.00 0.00 C ATOM 353 CD LYS A 23 -0.548 -7.638 14.450 1.00 0.00 C ATOM 354 CE LYS A 23 -0.670 -8.712 15.518 1.00 0.00 C ATOM 355 NZ LYS A 23 -1.783 -8.433 16.463 1.00 0.00 N ATOM 0 H LYS A 23 -1.713 -5.845 13.105 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.154 -6.163 10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.574 -7.066 11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.961 -5.909 12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.349 -8.885 12.961 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.499 -8.083 14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.359 -6.674 14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.492 -7.550 13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.832 -9.679 15.043 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.267 -8.781 16.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.832 -9.189 17.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.616 -7.522 16.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.681 -8.392 15.940 1.00 0.00 H new ATOM 369 N PRO A 24 -0.782 -8.574 10.169 1.00 0.00 N ATOM 370 CA PRO A 24 0.227 -8.027 9.276 1.00 0.00 C ATOM 371 C PRO A 24 -0.394 -7.148 8.190 1.00 0.00 C ATOM 372 O PRO A 24 -0.956 -7.657 7.225 1.00 0.00 O ATOM 373 CB PRO A 24 0.842 -9.282 8.667 1.00 0.00 C ATOM 374 CG PRO A 24 -0.286 -10.261 8.609 1.00 0.00 C ATOM 375 CD PRO A 24 -1.214 -9.922 9.754 1.00 0.00 C ATOM 0 HA PRO A 24 0.944 -7.384 9.786 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.247 -9.084 7.675 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.663 -9.658 9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.808 -10.194 7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.083 -11.283 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.257 -9.928 9.439 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.123 -10.640 10.569 1.00 0.00 H new ATOM 383 N PHE A 25 -0.278 -5.840 8.330 1.00 0.00 N ATOM 384 CA PHE A 25 -0.802 -4.912 7.336 1.00 0.00 C ATOM 385 C PHE A 25 0.099 -3.700 7.238 1.00 0.00 C ATOM 386 O PHE A 25 0.557 -3.172 8.252 1.00 0.00 O ATOM 387 CB PHE A 25 -2.236 -4.466 7.676 1.00 0.00 C ATOM 388 CG PHE A 25 -3.265 -5.540 7.500 1.00 0.00 C ATOM 389 CD1 PHE A 25 -4.066 -5.568 6.374 1.00 0.00 C ATOM 390 CD2 PHE A 25 -3.417 -6.532 8.451 1.00 0.00 C ATOM 391 CE1 PHE A 25 -4.998 -6.568 6.199 1.00 0.00 C ATOM 392 CE2 PHE A 25 -4.348 -7.534 8.282 1.00 0.00 C ATOM 393 CZ PHE A 25 -5.140 -7.550 7.153 1.00 0.00 C ATOM 0 H PHE A 25 0.176 -5.392 9.126 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.829 -5.431 6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.262 -4.118 8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.501 -3.617 7.046 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.960 -4.798 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.799 -6.522 9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.617 -6.581 5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.457 -8.304 9.031 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.871 -8.333 7.017 1.00 0.00 H new ATOM 403 N ALA A 26 0.357 -3.264 6.024 1.00 0.00 N ATOM 404 CA ALA A 26 1.227 -2.125 5.805 1.00 0.00 C ATOM 405 C ALA A 26 0.493 -1.005 5.088 1.00 0.00 C ATOM 406 O ALA A 26 -0.281 -1.255 4.159 1.00 0.00 O ATOM 407 CB ALA A 26 2.457 -2.545 5.015 1.00 0.00 C ATOM 0 H ALA A 26 -0.022 -3.679 5.173 1.00 0.00 H new ATOM 0 HA ALA A 26 1.545 -1.750 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.101 -1.680 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.003 -3.308 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.150 -2.948 4.050 1.00 0.00 H new ATOM 413 N ALA A 27 0.708 0.222 5.556 1.00 0.00 N ATOM 414 CA ALA A 27 0.201 1.404 4.890 1.00 0.00 C ATOM 415 C ALA A 27 0.846 1.554 3.521 1.00 0.00 C ATOM 416 O ALA A 27 1.950 2.087 3.391 1.00 0.00 O ATOM 417 CB ALA A 27 0.470 2.635 5.743 1.00 0.00 C ATOM 0 H ALA A 27 1.238 0.418 6.405 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.875 1.300 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.086 3.520 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.027 2.525 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.544 2.743 5.898 1.00 0.00 H new ATOM 423 N PHE A 28 0.160 1.068 2.507 1.00 0.00 N ATOM 424 CA PHE A 28 0.660 1.110 1.151 1.00 0.00 C ATOM 425 C PHE A 28 0.033 2.261 0.389 1.00 0.00 C ATOM 426 O PHE A 28 -1.033 2.124 -0.210 1.00 0.00 O ATOM 427 CB PHE A 28 0.393 -0.225 0.449 1.00 0.00 C ATOM 428 CG PHE A 28 1.603 -1.097 0.359 1.00 0.00 C ATOM 429 CD1 PHE A 28 1.533 -2.429 0.712 1.00 0.00 C ATOM 430 CD2 PHE A 28 2.809 -0.582 -0.080 1.00 0.00 C ATOM 431 CE1 PHE A 28 2.646 -3.236 0.631 1.00 0.00 C ATOM 432 CE2 PHE A 28 3.927 -1.384 -0.164 1.00 0.00 C ATOM 433 CZ PHE A 28 3.844 -2.713 0.193 1.00 0.00 C ATOM 0 H PHE A 28 -0.758 0.634 2.601 1.00 0.00 H new ATOM 0 HA PHE A 28 1.737 1.273 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.392 -0.759 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.018 -0.031 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.596 -2.843 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.876 0.459 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.580 -4.277 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.864 -0.973 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.718 -3.345 0.130 1.00 0.00 H new ATOM 443 N GLY A 29 0.700 3.407 0.443 1.00 0.00 N ATOM 444 CA GLY A 29 0.244 4.576 -0.277 1.00 0.00 C ATOM 445 C GLY A 29 -1.203 4.910 0.016 1.00 0.00 C ATOM 446 O GLY A 29 -1.655 4.815 1.157 1.00 0.00 O ATOM 0 H GLY A 29 1.557 3.546 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.871 5.428 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.365 4.410 -1.347 1.00 0.00 H new ATOM 450 N THR A 30 -1.934 5.282 -1.021 1.00 0.00 N ATOM 451 CA THR A 30 -3.341 5.618 -0.882 1.00 0.00 C ATOM 452 C THR A 30 -4.143 5.002 -2.029 1.00 0.00 C ATOM 453 O THR A 30 -3.613 4.823 -3.131 1.00 0.00 O ATOM 454 CB THR A 30 -3.548 7.153 -0.857 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.132 7.731 -2.101 1.00 0.00 O ATOM 456 CG2 THR A 30 -2.757 7.790 0.282 1.00 0.00 C ATOM 0 H THR A 30 -1.575 5.359 -1.972 1.00 0.00 H new ATOM 0 HA THR A 30 -3.695 5.211 0.065 1.00 0.00 H new ATOM 0 HB THR A 30 -4.610 7.345 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.269 8.701 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.918 8.868 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.091 7.376 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.695 7.582 0.149 1.00 0.00 H new ATOM 464 N CYS A 31 -5.394 4.639 -1.772 1.00 0.00 N ATOM 465 CA CYS A 31 -6.238 4.059 -2.801 1.00 0.00 C ATOM 466 C CYS A 31 -6.705 5.113 -3.794 1.00 0.00 C ATOM 467 O CYS A 31 -6.211 5.185 -4.919 1.00 0.00 O ATOM 468 CB CYS A 31 -7.461 3.418 -2.159 1.00 0.00 C ATOM 469 SG CYS A 31 -7.080 2.297 -0.778 1.00 0.00 S ATOM 0 H CYS A 31 -5.842 4.737 -0.861 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.649 3.312 -3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.123 4.206 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.009 2.864 -2.921 1.00 0.00 H new ATOM 474 N SER A 32 -7.638 5.948 -3.356 1.00 0.00 N ATOM 475 CA SER A 32 -8.223 6.954 -4.219 1.00 0.00 C ATOM 476 C SER A 32 -7.803 8.335 -3.754 1.00 0.00 C ATOM 477 O SER A 32 -7.000 9.003 -4.401 1.00 0.00 O ATOM 478 CB SER A 32 -9.750 6.821 -4.205 1.00 0.00 C ATOM 479 OG SER A 32 -10.352 7.588 -5.233 1.00 0.00 O ATOM 0 H SER A 32 -8.004 5.945 -2.404 1.00 0.00 H new ATOM 0 HA SER A 32 -7.870 6.809 -5.240 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.025 5.773 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.135 7.144 -3.237 1.00 0.00 H new ATOM 0 HG SER A 32 -10.272 8.541 -5.020 1.00 0.00 H new ATOM 485 N TRP A 33 -8.352 8.756 -2.625 1.00 0.00 N ATOM 486 CA TRP A 33 -7.951 10.002 -2.010 1.00 0.00 C ATOM 487 C TRP A 33 -6.833 9.706 -1.023 1.00 0.00 C ATOM 488 O TRP A 33 -6.742 8.589 -0.512 1.00 0.00 O ATOM 489 CB TRP A 33 -9.133 10.668 -1.286 1.00 0.00 C ATOM 490 CG TRP A 33 -10.470 10.481 -1.958 1.00 0.00 C ATOM 491 CD1 TRP A 33 -11.646 10.165 -1.338 1.00 0.00 C ATOM 492 CD2 TRP A 33 -10.774 10.582 -3.360 1.00 0.00 C ATOM 493 NE1 TRP A 33 -12.657 10.066 -2.260 1.00 0.00 N ATOM 494 CE2 TRP A 33 -12.150 10.316 -3.505 1.00 0.00 C ATOM 495 CE3 TRP A 33 -10.025 10.870 -4.505 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -12.786 10.330 -4.742 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -10.661 10.882 -5.733 1.00 0.00 C ATOM 498 CH2 TRP A 33 -12.026 10.613 -5.842 1.00 0.00 C ATOM 0 H TRP A 33 -9.078 8.249 -2.119 1.00 0.00 H new ATOM 0 HA TRP A 33 -7.607 10.693 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -9.192 10.270 -0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -8.932 11.736 -1.198 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -11.763 10.015 -0.275 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -13.630 9.842 -2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -8.968 11.079 -4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -13.843 10.125 -4.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -10.091 11.103 -6.623 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -12.492 10.629 -6.816 1.00 0.00 H new ATOM 509 N ARG A 34 -5.993 10.692 -0.751 1.00 0.00 N ATOM 510 CA ARG A 34 -4.903 10.523 0.203 1.00 0.00 C ATOM 511 C ARG A 34 -5.471 10.244 1.587 1.00 0.00 C ATOM 512 O ARG A 34 -4.862 9.566 2.416 1.00 0.00 O ATOM 513 CB ARG A 34 -4.027 11.779 0.221 1.00 0.00 C ATOM 514 CG ARG A 34 -2.778 11.655 1.079 1.00 0.00 C ATOM 515 CD ARG A 34 -3.041 11.951 2.549 1.00 0.00 C ATOM 516 NE ARG A 34 -3.585 13.290 2.764 1.00 0.00 N ATOM 517 CZ ARG A 34 -3.851 13.798 3.967 1.00 0.00 C ATOM 518 NH1 ARG A 34 -3.583 13.094 5.061 1.00 0.00 N ATOM 519 NH2 ARG A 34 -4.374 15.013 4.077 1.00 0.00 N ATOM 0 H ARG A 34 -6.043 11.618 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.286 9.676 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.730 12.016 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.621 12.618 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.375 10.647 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.017 12.340 0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.737 11.212 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.112 11.846 3.109 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.772 13.870 1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.173 12.163 4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.787 13.484 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.573 15.560 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.577 15.399 4.999 1.00 0.00 H new ATOM 533 N GLN A 35 -6.653 10.786 1.801 1.00 0.00 N ATOM 534 CA GLN A 35 -7.411 10.628 3.042 1.00 0.00 C ATOM 535 C GLN A 35 -7.601 9.167 3.437 1.00 0.00 C ATOM 536 O GLN A 35 -7.951 8.867 4.575 1.00 0.00 O ATOM 537 CB GLN A 35 -8.772 11.281 2.879 1.00 0.00 C ATOM 538 CG GLN A 35 -8.674 12.720 2.430 1.00 0.00 C ATOM 539 CD GLN A 35 -10.013 13.429 2.421 1.00 0.00 C ATOM 540 OE1 GLN A 35 -10.424 14.019 3.421 1.00 0.00 O ATOM 541 NE2 GLN A 35 -10.694 13.390 1.291 1.00 0.00 N ATOM 0 H GLN A 35 -7.130 11.362 1.107 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.838 11.106 3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.357 10.717 2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.309 11.235 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.990 13.255 3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.244 12.754 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.317 12.890 0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.597 13.860 1.223 1.00 0.00 H new ATOM 550 N LYS A 36 -7.418 8.267 2.489 1.00 0.00 N ATOM 551 CA LYS A 36 -7.474 6.841 2.787 1.00 0.00 C ATOM 552 C LYS A 36 -6.201 6.115 2.371 1.00 0.00 C ATOM 553 O LYS A 36 -5.757 6.201 1.224 1.00 0.00 O ATOM 554 CB LYS A 36 -8.696 6.159 2.157 1.00 0.00 C ATOM 555 CG LYS A 36 -8.991 6.572 0.728 1.00 0.00 C ATOM 556 CD LYS A 36 -10.070 7.642 0.683 1.00 0.00 C ATOM 557 CE LYS A 36 -11.426 7.068 1.070 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.382 8.117 1.504 1.00 0.00 N ATOM 0 H LYS A 36 -7.230 8.492 1.512 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.569 6.771 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.546 5.080 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.571 6.375 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.082 6.947 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.311 5.703 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.809 8.455 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.124 8.067 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.845 6.528 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.295 6.344 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.134 7.685 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.881 8.831 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.802 8.571 0.668 1.00 0.00 H new ATOM 572 N THR A 37 -5.641 5.387 3.323 1.00 0.00 N ATOM 573 CA THR A 37 -4.439 4.599 3.114 1.00 0.00 C ATOM 574 C THR A 37 -4.809 3.206 2.611 1.00 0.00 C ATOM 575 O THR A 37 -5.848 2.666 2.995 1.00 0.00 O ATOM 576 CB THR A 37 -3.661 4.471 4.437 1.00 0.00 C ATOM 577 OG1 THR A 37 -3.458 5.774 5.000 1.00 0.00 O ATOM 578 CG2 THR A 37 -2.318 3.791 4.229 1.00 0.00 C ATOM 0 H THR A 37 -6.012 5.326 4.271 1.00 0.00 H new ATOM 0 HA THR A 37 -3.816 5.098 2.372 1.00 0.00 H new ATOM 0 HB THR A 37 -4.249 3.856 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.879 5.818 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.796 3.717 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.475 2.792 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.718 4.376 3.531 1.00 0.00 H new ATOM 586 N CYS A 38 -3.975 2.631 1.753 1.00 0.00 N ATOM 587 CA CYS A 38 -4.243 1.305 1.227 1.00 0.00 C ATOM 588 C CYS A 38 -3.486 0.274 2.059 1.00 0.00 C ATOM 589 O CYS A 38 -2.281 0.111 1.913 1.00 0.00 O ATOM 590 CB CYS A 38 -3.815 1.244 -0.238 1.00 0.00 C ATOM 591 SG CYS A 38 -4.695 0.004 -1.236 1.00 0.00 S ATOM 0 H CYS A 38 -3.115 3.060 1.411 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.309 1.085 1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.965 2.226 -0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.746 1.034 -0.282 1.00 0.00 H new ATOM 596 N CYS A 39 -4.190 -0.400 2.950 1.00 0.00 N ATOM 597 CA CYS A 39 -3.551 -1.304 3.892 1.00 0.00 C ATOM 598 C CYS A 39 -3.811 -2.757 3.533 1.00 0.00 C ATOM 599 O CYS A 39 -4.900 -3.285 3.780 1.00 0.00 O ATOM 600 CB CYS A 39 -4.050 -1.020 5.305 1.00 0.00 C ATOM 601 SG CYS A 39 -3.648 0.653 5.909 1.00 0.00 S ATOM 0 H CYS A 39 -5.204 -0.339 3.042 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.475 -1.134 3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.131 -1.155 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.620 -1.754 5.986 1.00 0.00 H new ATOM 606 N VAL A 40 -2.812 -3.401 2.953 1.00 0.00 N ATOM 607 CA VAL A 40 -2.931 -4.799 2.575 1.00 0.00 C ATOM 608 C VAL A 40 -2.305 -5.687 3.632 1.00 0.00 C ATOM 609 O VAL A 40 -1.419 -5.255 4.375 1.00 0.00 O ATOM 610 CB VAL A 40 -2.267 -5.086 1.209 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.751 -5.140 1.319 1.00 0.00 C ATOM 612 CG2 VAL A 40 -2.826 -6.363 0.603 1.00 0.00 C ATOM 0 H VAL A 40 -1.910 -2.978 2.734 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.995 -5.018 2.490 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.506 -4.259 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.322 -5.344 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.379 -4.184 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.464 -5.931 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.347 -6.549 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.631 -7.200 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.901 -6.257 0.458 1.00 0.00 H new ATOM 622 N ASP A 41 -2.800 -6.911 3.719 1.00 0.00 N ATOM 623 CA ASP A 41 -2.252 -7.905 4.590 1.00 0.00 C ATOM 624 C ASP A 41 -0.892 -8.334 4.079 1.00 0.00 C ATOM 625 O ASP A 41 -0.767 -9.276 3.290 1.00 0.00 O ATOM 626 CB ASP A 41 -3.224 -9.077 4.670 1.00 0.00 C ATOM 627 CG ASP A 41 -3.827 -9.457 3.326 1.00 0.00 C ATOM 628 OD1 ASP A 41 -3.491 -10.541 2.794 1.00 0.00 O ATOM 629 OD2 ASP A 41 -4.651 -8.680 2.796 1.00 0.00 O ATOM 0 H ASP A 41 -3.601 -7.233 3.176 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.114 -7.504 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.705 -9.942 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.028 -8.826 5.362 1.00 0.00 H new ATOM 634 N THR A 42 0.127 -7.625 4.531 1.00 0.00 N ATOM 635 CA THR A 42 1.461 -7.804 4.018 1.00 0.00 C ATOM 636 C THR A 42 2.106 -9.068 4.575 1.00 0.00 C ATOM 637 O THR A 42 2.856 -9.031 5.551 1.00 0.00 O ATOM 638 CB THR A 42 2.313 -6.563 4.363 1.00 0.00 C ATOM 639 OG1 THR A 42 1.990 -6.100 5.681 1.00 0.00 O ATOM 640 CG2 THR A 42 2.078 -5.451 3.351 1.00 0.00 C ATOM 0 H THR A 42 0.048 -6.915 5.259 1.00 0.00 H new ATOM 0 HA THR A 42 1.405 -7.917 2.935 1.00 0.00 H new ATOM 0 HB THR A 42 3.365 -6.845 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.639 -5.420 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.688 -4.586 3.613 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.352 -5.801 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.025 -5.168 3.359 1.00 0.00 H new ATOM 648 N THR A 43 1.794 -10.190 3.944 1.00 0.00 N ATOM 649 CA THR A 43 2.451 -11.444 4.243 1.00 0.00 C ATOM 650 C THR A 43 3.270 -11.940 3.043 1.00 0.00 C ATOM 651 O THR A 43 4.474 -12.150 3.158 1.00 0.00 O ATOM 652 CB THR A 43 1.446 -12.520 4.737 1.00 0.00 C ATOM 653 OG1 THR A 43 2.097 -13.790 4.856 1.00 0.00 O ATOM 654 CG2 THR A 43 0.238 -12.644 3.818 1.00 0.00 C ATOM 0 H THR A 43 1.083 -10.253 3.216 1.00 0.00 H new ATOM 0 HA THR A 43 3.146 -11.261 5.063 1.00 0.00 H new ATOM 0 HB THR A 43 1.086 -12.199 5.715 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.454 -14.459 5.170 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.436 -13.408 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.284 -11.688 3.773 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.569 -12.924 2.818 1.00 0.00 H new ATOM 662 N SER A 44 2.604 -12.182 1.914 1.00 0.00 N ATOM 663 CA SER A 44 3.275 -12.602 0.685 1.00 0.00 C ATOM 664 C SER A 44 3.509 -11.430 -0.284 1.00 0.00 C ATOM 665 O SER A 44 4.628 -11.194 -0.742 1.00 0.00 O ATOM 666 CB SER A 44 2.459 -13.701 0.001 1.00 0.00 C ATOM 667 OG SER A 44 3.109 -14.192 -1.161 1.00 0.00 O ATOM 0 H SER A 44 1.592 -12.093 1.826 1.00 0.00 H new ATOM 0 HA SER A 44 4.256 -12.988 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.295 -14.521 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.477 -13.311 -0.269 1.00 0.00 H new ATOM 0 HG SER A 44 2.561 -14.893 -1.571 1.00 0.00 H new ATOM 673 N ASP A 45 2.435 -10.697 -0.574 1.00 0.00 N ATOM 674 CA ASP A 45 2.400 -9.724 -1.674 1.00 0.00 C ATOM 675 C ASP A 45 3.027 -8.384 -1.298 1.00 0.00 C ATOM 676 O ASP A 45 3.170 -7.501 -2.144 1.00 0.00 O ATOM 677 CB ASP A 45 0.959 -9.498 -2.132 1.00 0.00 C ATOM 678 CG ASP A 45 0.132 -8.744 -1.110 1.00 0.00 C ATOM 679 OD1 ASP A 45 -0.280 -7.605 -1.402 1.00 0.00 O ATOM 680 OD2 ASP A 45 -0.105 -9.294 -0.011 1.00 0.00 O ATOM 0 H ASP A 45 1.560 -10.759 -0.053 1.00 0.00 H new ATOM 0 HA ASP A 45 2.992 -10.148 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.963 -8.944 -3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.491 -10.461 -2.333 1.00 0.00 H new ATOM 685 N PHE A 46 3.372 -8.242 -0.029 1.00 0.00 N ATOM 686 CA PHE A 46 3.930 -7.001 0.528 1.00 0.00 C ATOM 687 C PHE A 46 5.069 -6.396 -0.301 1.00 0.00 C ATOM 688 O PHE A 46 5.374 -5.215 -0.173 1.00 0.00 O ATOM 689 CB PHE A 46 4.431 -7.247 1.933 1.00 0.00 C ATOM 690 CG PHE A 46 5.552 -8.220 1.996 1.00 0.00 C ATOM 691 CD1 PHE A 46 6.835 -7.792 2.228 1.00 0.00 C ATOM 692 CD2 PHE A 46 5.314 -9.550 1.811 1.00 0.00 C ATOM 693 CE1 PHE A 46 7.878 -8.688 2.274 1.00 0.00 C ATOM 694 CE2 PHE A 46 6.341 -10.463 1.852 1.00 0.00 C ATOM 695 CZ PHE A 46 7.631 -10.033 2.085 1.00 0.00 C ATOM 0 H PHE A 46 3.275 -8.989 0.659 1.00 0.00 H new ATOM 0 HA PHE A 46 3.112 -6.280 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.756 -6.301 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.607 -7.612 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.028 -6.740 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.305 -9.891 1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.884 -8.341 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.139 -11.513 1.702 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.443 -10.744 2.119 1.00 0.00 H new ATOM 705 N HIS A 47 5.705 -7.203 -1.131 1.00 0.00 N ATOM 706 CA HIS A 47 6.764 -6.721 -2.023 1.00 0.00 C ATOM 707 C HIS A 47 6.249 -5.695 -3.039 1.00 0.00 C ATOM 708 O HIS A 47 7.020 -5.182 -3.834 1.00 0.00 O ATOM 709 CB HIS A 47 7.468 -7.874 -2.738 1.00 0.00 C ATOM 710 CG HIS A 47 8.480 -8.560 -1.878 1.00 0.00 C ATOM 711 ND1 HIS A 47 9.588 -7.917 -1.372 1.00 0.00 N ATOM 712 CD2 HIS A 47 8.538 -9.828 -1.411 1.00 0.00 C ATOM 713 CE1 HIS A 47 10.281 -8.756 -0.629 1.00 0.00 C ATOM 714 NE2 HIS A 47 9.667 -9.922 -0.636 1.00 0.00 N ATOM 0 H HIS A 47 5.511 -8.201 -1.212 1.00 0.00 H new ATOM 0 HA HIS A 47 7.492 -6.217 -1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.724 -8.600 -3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.958 -7.494 -3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.829 -10.618 -1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.196 -8.527 -0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.980 -10.759 -0.145 1.00 0.00 H new ATOM 723 N THR A 48 4.944 -5.426 -2.998 1.00 0.00 N ATOM 724 CA THR A 48 4.263 -4.414 -3.828 1.00 0.00 C ATOM 725 C THR A 48 4.961 -3.033 -3.842 1.00 0.00 C ATOM 726 O THR A 48 4.643 -2.188 -4.672 1.00 0.00 O ATOM 727 CB THR A 48 2.827 -4.237 -3.278 1.00 0.00 C ATOM 728 OG1 THR A 48 2.051 -5.411 -3.545 1.00 0.00 O ATOM 729 CG2 THR A 48 2.119 -3.011 -3.851 1.00 0.00 C ATOM 0 H THR A 48 4.307 -5.917 -2.370 1.00 0.00 H new ATOM 0 HA THR A 48 4.280 -4.777 -4.856 1.00 0.00 H new ATOM 0 HB THR A 48 2.918 -4.083 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.476 -6.187 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.117 -2.939 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.684 -2.114 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.050 -3.104 -4.935 1.00 0.00 H new ATOM 737 N CYS A 49 5.942 -2.844 -2.975 1.00 0.00 N ATOM 738 CA CYS A 49 6.567 -1.539 -2.739 1.00 0.00 C ATOM 739 C CYS A 49 6.768 -0.678 -4.010 1.00 0.00 C ATOM 740 O CYS A 49 6.364 0.483 -4.027 1.00 0.00 O ATOM 741 CB CYS A 49 7.896 -1.731 -1.986 1.00 0.00 C ATOM 742 SG CYS A 49 9.401 -1.788 -3.018 1.00 0.00 S ATOM 0 H CYS A 49 6.335 -3.594 -2.407 1.00 0.00 H new ATOM 0 HA CYS A 49 5.865 -0.971 -2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.003 -0.919 -1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.836 -2.657 -1.415 1.00 0.00 H new ATOM 0 HG CYS A 49 9.924 -0.600 -3.088 1.00 0.00 H new ATOM 747 N GLN A 50 7.347 -1.229 -5.080 1.00 0.00 N ATOM 748 CA GLN A 50 7.651 -0.432 -6.271 1.00 0.00 C ATOM 749 C GLN A 50 6.388 0.038 -7.004 1.00 0.00 C ATOM 750 O GLN A 50 6.425 1.035 -7.726 1.00 0.00 O ATOM 751 CB GLN A 50 8.581 -1.185 -7.234 1.00 0.00 C ATOM 752 CG GLN A 50 8.058 -2.516 -7.762 1.00 0.00 C ATOM 753 CD GLN A 50 8.151 -3.623 -6.737 1.00 0.00 C ATOM 754 OE1 GLN A 50 9.175 -4.291 -6.624 1.00 0.00 O ATOM 755 NE2 GLN A 50 7.073 -3.853 -6.019 1.00 0.00 N ATOM 0 H GLN A 50 7.612 -2.212 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 50 8.171 0.457 -5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.793 -0.537 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.529 -1.365 -6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.019 -2.398 -8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.624 -2.799 -8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.243 -3.273 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.067 -4.611 -5.336 1.00 0.00 H new ATOM 764 N ASP A 51 5.276 -0.660 -6.804 1.00 0.00 N ATOM 765 CA ASP A 51 3.992 -0.266 -7.398 1.00 0.00 C ATOM 766 C ASP A 51 3.529 1.056 -6.819 1.00 0.00 C ATOM 767 O ASP A 51 3.039 1.937 -7.523 1.00 0.00 O ATOM 768 CB ASP A 51 2.923 -1.325 -7.112 1.00 0.00 C ATOM 769 CG ASP A 51 1.513 -0.834 -7.398 1.00 0.00 C ATOM 770 OD1 ASP A 51 0.880 -0.266 -6.478 1.00 0.00 O ATOM 771 OD2 ASP A 51 1.029 -1.024 -8.535 1.00 0.00 O ATOM 0 H ASP A 51 5.232 -1.505 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 51 4.135 -0.169 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.124 -2.209 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.991 -1.630 -6.068 1.00 0.00 H new ATOM 776 N LYS A 52 3.718 1.179 -5.524 1.00 0.00 N ATOM 777 CA LYS A 52 3.187 2.294 -4.760 1.00 0.00 C ATOM 778 C LYS A 52 4.168 3.446 -4.705 1.00 0.00 C ATOM 779 O LYS A 52 4.059 4.336 -3.860 1.00 0.00 O ATOM 780 CB LYS A 52 2.866 1.813 -3.359 1.00 0.00 C ATOM 781 CG LYS A 52 1.849 0.695 -3.346 1.00 0.00 C ATOM 782 CD LYS A 52 0.449 1.206 -3.031 1.00 0.00 C ATOM 783 CE LYS A 52 0.061 2.392 -3.910 1.00 0.00 C ATOM 784 NZ LYS A 52 -0.104 2.015 -5.343 1.00 0.00 N ATOM 0 H LYS A 52 4.246 0.508 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 52 2.284 2.659 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.782 1.471 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.489 2.649 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.844 0.197 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.139 -0.051 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.271 0.400 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.398 1.500 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.870 2.823 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.824 3.166 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.383 2.710 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.305 1.072 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.116 1.999 -5.583 1.00 0.00 H new ATOM 798 N GLY A 53 5.130 3.409 -5.596 1.00 0.00 N ATOM 799 CA GLY A 53 6.122 4.451 -5.649 1.00 0.00 C ATOM 800 C GLY A 53 7.294 4.152 -4.749 1.00 0.00 C ATOM 801 O GLY A 53 7.893 5.059 -4.169 1.00 0.00 O ATOM 0 H GLY A 53 5.245 2.671 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.472 4.569 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.670 5.399 -5.356 1.00 0.00 H new ATOM 805 N GLY A 54 7.603 2.872 -4.602 1.00 0.00 N ATOM 806 CA GLY A 54 8.777 2.488 -3.855 1.00 0.00 C ATOM 807 C GLY A 54 10.035 2.645 -4.671 1.00 0.00 C ATOM 808 O GLY A 54 10.301 1.870 -5.590 1.00 0.00 O ATOM 0 H GLY A 54 7.062 2.097 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.850 3.097 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.680 1.451 -3.532 1.00 0.00 H new ATOM 812 N HIS A 55 10.798 3.654 -4.322 1.00 0.00 N ATOM 813 CA HIS A 55 12.046 3.965 -4.998 1.00 0.00 C ATOM 814 C HIS A 55 13.213 3.461 -4.167 1.00 0.00 C ATOM 815 O HIS A 55 13.021 2.961 -3.060 1.00 0.00 O ATOM 816 CB HIS A 55 12.167 5.477 -5.230 1.00 0.00 C ATOM 817 CG HIS A 55 11.166 6.030 -6.203 1.00 0.00 C ATOM 818 ND1 HIS A 55 11.524 6.614 -7.398 1.00 0.00 N ATOM 819 CD2 HIS A 55 9.813 6.102 -6.146 1.00 0.00 C ATOM 820 CE1 HIS A 55 10.439 7.022 -8.031 1.00 0.00 C ATOM 821 NE2 HIS A 55 9.389 6.723 -7.293 1.00 0.00 N ATOM 0 H HIS A 55 10.573 4.289 -3.556 1.00 0.00 H new ATOM 0 HA HIS A 55 12.059 3.470 -5.969 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.052 5.991 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.171 5.699 -5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.186 5.738 -5.346 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.416 7.517 -8.991 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.418 6.921 -7.535 1.00 0.00 H new ATOM 830 N CYS A 56 14.417 3.608 -4.684 1.00 0.00 N ATOM 831 CA CYS A 56 15.596 3.128 -3.992 1.00 0.00 C ATOM 832 C CYS A 56 16.529 4.277 -3.684 1.00 0.00 C ATOM 833 O CYS A 56 16.940 5.010 -4.583 1.00 0.00 O ATOM 834 CB CYS A 56 16.311 2.076 -4.836 1.00 0.00 C ATOM 835 SG CYS A 56 15.379 0.520 -4.987 1.00 0.00 S ATOM 0 H CYS A 56 14.604 4.056 -5.581 1.00 0.00 H new ATOM 0 HA CYS A 56 15.287 2.671 -3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 56 16.493 2.481 -5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 56 17.285 1.867 -4.394 1.00 0.00 H new ATOM 840 N VAL A 57 16.851 4.447 -2.413 1.00 0.00 N ATOM 841 CA VAL A 57 17.732 5.521 -2.000 1.00 0.00 C ATOM 842 C VAL A 57 18.897 4.984 -1.182 1.00 0.00 C ATOM 843 O VAL A 57 18.734 4.098 -0.339 1.00 0.00 O ATOM 844 CB VAL A 57 16.980 6.607 -1.197 1.00 0.00 C ATOM 845 CG1 VAL A 57 15.815 7.153 -2.002 1.00 0.00 C ATOM 846 CG2 VAL A 57 16.506 6.078 0.146 1.00 0.00 C ATOM 0 H VAL A 57 16.516 3.856 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 57 18.119 5.982 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 57 17.678 7.421 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.297 7.916 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.187 7.592 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.123 6.344 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.982 6.868 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.831 5.237 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 57 17.365 5.749 0.731 1.00 0.00 H new ATOM 856 N SER A 58 20.076 5.493 -1.491 1.00 0.00 N ATOM 857 CA SER A 58 21.284 5.172 -0.756 1.00 0.00 C ATOM 858 C SER A 58 21.177 5.713 0.665 1.00 0.00 C ATOM 859 O SER A 58 20.454 6.676 0.913 1.00 0.00 O ATOM 860 CB SER A 58 22.487 5.777 -1.497 1.00 0.00 C ATOM 861 OG SER A 58 23.657 5.782 -0.704 1.00 0.00 O ATOM 0 H SER A 58 20.222 6.144 -2.263 1.00 0.00 H new ATOM 0 HA SER A 58 21.418 4.092 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.671 5.210 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.250 6.798 -1.798 1.00 0.00 H new ATOM 0 HG SER A 58 24.438 5.943 -1.274 1.00 0.00 H new ATOM 867 N PRO A 59 21.889 5.093 1.620 1.00 0.00 N ATOM 868 CA PRO A 59 21.867 5.513 3.028 1.00 0.00 C ATOM 869 C PRO A 59 22.436 6.916 3.238 1.00 0.00 C ATOM 870 O PRO A 59 22.475 7.416 4.362 1.00 0.00 O ATOM 871 CB PRO A 59 22.739 4.470 3.729 1.00 0.00 C ATOM 872 CG PRO A 59 23.599 3.902 2.654 1.00 0.00 C ATOM 873 CD PRO A 59 22.765 3.927 1.408 1.00 0.00 C ATOM 0 HA PRO A 59 20.849 5.566 3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.340 4.923 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.130 3.697 4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 59 24.508 4.491 2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 59 23.909 2.886 2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 59 23.378 4.040 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 59 22.192 3.008 1.287 1.00 0.00 H new ATOM 881 N LYS A 60 22.905 7.533 2.157 1.00 0.00 N ATOM 882 CA LYS A 60 23.363 8.914 2.202 1.00 0.00 C ATOM 883 C LYS A 60 22.336 9.836 1.551 1.00 0.00 C ATOM 884 O LYS A 60 22.548 11.043 1.434 1.00 0.00 O ATOM 885 CB LYS A 60 24.720 9.058 1.512 1.00 0.00 C ATOM 886 CG LYS A 60 24.713 8.697 0.036 1.00 0.00 C ATOM 887 CD LYS A 60 26.085 8.906 -0.584 1.00 0.00 C ATOM 888 CE LYS A 60 26.109 8.487 -2.043 1.00 0.00 C ATOM 889 NZ LYS A 60 27.440 8.722 -2.665 1.00 0.00 N ATOM 0 H LYS A 60 22.977 7.095 1.238 1.00 0.00 H new ATOM 0 HA LYS A 60 23.478 9.202 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 60 25.062 10.087 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 60 25.444 8.425 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 60 24.410 7.657 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.977 9.307 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 60 26.366 9.956 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 60 26.827 8.333 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 60 25.853 7.430 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 60 25.348 9.041 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 27.415 8.423 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 27.674 9.734 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 28.163 8.173 -2.157 1.00 0.00 H new ATOM 903 N ILE A 61 21.232 9.252 1.110 1.00 0.00 N ATOM 904 CA ILE A 61 20.124 10.011 0.554 1.00 0.00 C ATOM 905 C ILE A 61 19.148 10.352 1.659 1.00 0.00 C ATOM 906 O ILE A 61 18.688 9.468 2.385 1.00 0.00 O ATOM 907 CB ILE A 61 19.371 9.216 -0.530 1.00 0.00 C ATOM 908 CG1 ILE A 61 20.317 8.837 -1.669 1.00 0.00 C ATOM 909 CG2 ILE A 61 18.184 10.016 -1.053 1.00 0.00 C ATOM 910 CD1 ILE A 61 20.600 9.949 -2.651 1.00 0.00 C ATOM 0 H ILE A 61 21.080 8.244 1.128 1.00 0.00 H new ATOM 0 HA ILE A 61 20.536 10.912 0.100 1.00 0.00 H new ATOM 0 HB ILE A 61 18.990 8.297 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.261 8.499 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.892 7.992 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.665 9.438 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.499 10.230 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.538 10.953 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.280 9.588 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.667 10.274 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.058 10.789 -2.128 1.00 0.00 H new ATOM 922 N ARG A 62 18.828 11.621 1.789 1.00 0.00 N ATOM 923 CA ARG A 62 17.933 12.052 2.843 1.00 0.00 C ATOM 924 C ARG A 62 16.488 11.973 2.392 1.00 0.00 C ATOM 925 O ARG A 62 15.906 12.936 1.888 1.00 0.00 O ATOM 926 CB ARG A 62 18.286 13.459 3.313 1.00 0.00 C ATOM 927 CG ARG A 62 19.650 13.528 3.967 1.00 0.00 C ATOM 928 CD ARG A 62 19.964 14.924 4.476 1.00 0.00 C ATOM 929 NE ARG A 62 19.930 15.918 3.403 1.00 0.00 N ATOM 930 CZ ARG A 62 20.911 16.788 3.150 1.00 0.00 C ATOM 931 NH1 ARG A 62 22.009 16.803 3.898 1.00 0.00 N ATOM 932 NH2 ARG A 62 20.793 17.645 2.145 1.00 0.00 N ATOM 0 H ARG A 62 19.170 12.368 1.184 1.00 0.00 H new ATOM 0 HA ARG A 62 18.056 11.376 3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.260 14.140 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.530 13.803 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.691 12.822 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 62 20.412 13.223 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 62 19.245 15.199 5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 62 20.949 14.927 4.942 1.00 0.00 H new ATOM 0 HE ARG A 62 19.102 15.949 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 62 22.107 16.147 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 62 22.753 17.471 3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.953 17.639 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 62 21.542 18.310 1.951 1.00 0.00 H new ATOM 946 N CYS A 63 15.929 10.802 2.589 1.00 0.00 N ATOM 947 CA CYS A 63 14.550 10.510 2.238 1.00 0.00 C ATOM 948 C CYS A 63 13.879 9.806 3.394 1.00 0.00 C ATOM 949 O CYS A 63 14.543 9.105 4.158 1.00 0.00 O ATOM 950 CB CYS A 63 14.512 9.628 0.982 1.00 0.00 C ATOM 951 SG CYS A 63 12.846 9.072 0.487 1.00 0.00 S ATOM 0 H CYS A 63 16.422 10.011 3.003 1.00 0.00 H new ATOM 0 HA CYS A 63 14.019 11.439 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 63 14.956 10.180 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 63 15.137 8.751 1.152 1.00 0.00 H new ATOM 956 N LEU A 64 12.581 10.003 3.556 1.00 0.00 N ATOM 957 CA LEU A 64 11.832 9.172 4.472 1.00 0.00 C ATOM 958 C LEU A 64 11.631 7.831 3.794 1.00 0.00 C ATOM 959 O LEU A 64 10.616 7.583 3.144 1.00 0.00 O ATOM 960 CB LEU A 64 10.483 9.804 4.843 1.00 0.00 C ATOM 961 CG LEU A 64 10.545 11.045 5.744 1.00 0.00 C ATOM 962 CD1 LEU A 64 11.421 10.786 6.960 1.00 0.00 C ATOM 963 CD2 LEU A 64 11.041 12.262 4.976 1.00 0.00 C ATOM 0 H LEU A 64 12.036 10.718 3.074 1.00 0.00 H new ATOM 0 HA LEU A 64 12.381 9.059 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.965 10.074 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.875 9.048 5.341 1.00 0.00 H new ATOM 0 HG LEU A 64 9.532 11.256 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.450 11.679 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.010 9.955 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.431 10.538 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.073 13.124 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.041 12.065 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.365 12.469 4.147 1.00 0.00 H new ATOM 975 N GLU A 65 12.622 6.977 3.951 1.00 0.00 N ATOM 976 CA GLU A 65 12.704 5.750 3.183 1.00 0.00 C ATOM 977 C GLU A 65 12.084 4.562 3.899 1.00 0.00 C ATOM 978 O GLU A 65 12.777 3.827 4.594 1.00 0.00 O ATOM 979 CB GLU A 65 14.168 5.444 2.805 1.00 0.00 C ATOM 980 CG GLU A 65 15.235 6.048 3.724 1.00 0.00 C ATOM 981 CD GLU A 65 15.244 5.483 5.132 1.00 0.00 C ATOM 982 OE1 GLU A 65 14.486 5.988 5.991 1.00 0.00 O ATOM 983 OE2 GLU A 65 16.034 4.550 5.398 1.00 0.00 O ATOM 0 H GLU A 65 13.389 7.112 4.610 1.00 0.00 H new ATOM 0 HA GLU A 65 12.122 5.911 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.300 4.362 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.344 5.803 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.216 5.888 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.081 7.126 3.779 1.00 0.00 H new ATOM 990 N GLU A 66 10.779 4.368 3.702 1.00 0.00 N ATOM 991 CA GLU A 66 10.086 3.190 4.220 1.00 0.00 C ATOM 992 C GLU A 66 8.796 2.896 3.464 1.00 0.00 C ATOM 993 O GLU A 66 7.701 3.243 3.913 1.00 0.00 O ATOM 994 CB GLU A 66 9.790 3.339 5.709 1.00 0.00 C ATOM 995 CG GLU A 66 10.963 2.951 6.576 1.00 0.00 C ATOM 996 CD GLU A 66 10.668 1.755 7.457 1.00 0.00 C ATOM 997 OE1 GLU A 66 10.559 0.631 6.926 1.00 0.00 O ATOM 998 OE2 GLU A 66 10.552 1.933 8.689 1.00 0.00 O ATOM 0 H GLU A 66 10.181 5.013 3.186 1.00 0.00 H new ATOM 0 HA GLU A 66 10.759 2.346 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.514 4.372 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.931 2.720 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.820 2.727 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.243 3.798 7.202 1.00 0.00 H new ATOM 1005 N GLN A 67 8.932 2.258 2.315 1.00 0.00 N ATOM 1006 CA GLN A 67 7.790 1.708 1.609 1.00 0.00 C ATOM 1007 C GLN A 67 7.580 0.264 2.052 1.00 0.00 C ATOM 1008 O GLN A 67 6.628 -0.043 2.770 1.00 0.00 O ATOM 1009 CB GLN A 67 7.994 1.747 0.094 1.00 0.00 C ATOM 1010 CG GLN A 67 6.892 1.026 -0.662 1.00 0.00 C ATOM 1011 CD GLN A 67 5.660 1.868 -0.865 1.00 0.00 C ATOM 1012 OE1 GLN A 67 4.816 1.984 0.019 1.00 0.00 O ATOM 1013 NE2 GLN A 67 5.507 2.374 -2.070 1.00 0.00 N ATOM 0 H GLN A 67 9.827 2.108 1.850 1.00 0.00 H new ATOM 0 HA GLN A 67 6.916 2.314 1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.037 2.785 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.954 1.294 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.273 0.712 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.620 0.121 -0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.237 2.251 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.658 2.889 -2.303 1.00 0.00 H new ATOM 1022 N LEU A 68 8.496 -0.608 1.624 1.00 0.00 N ATOM 1023 CA LEU A 68 8.474 -2.016 2.003 1.00 0.00 C ATOM 1024 C LEU A 68 9.716 -2.738 1.482 1.00 0.00 C ATOM 1025 O LEU A 68 9.888 -2.894 0.274 1.00 0.00 O ATOM 1026 CB LEU A 68 7.233 -2.723 1.438 1.00 0.00 C ATOM 1027 CG LEU A 68 6.572 -3.747 2.374 1.00 0.00 C ATOM 1028 CD1 LEU A 68 7.610 -4.631 3.050 1.00 0.00 C ATOM 1029 CD2 LEU A 68 5.713 -3.048 3.417 1.00 0.00 C ATOM 0 H LEU A 68 9.269 -0.356 1.008 1.00 0.00 H new ATOM 0 HA LEU A 68 8.452 -2.053 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.493 -1.967 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.514 -3.229 0.514 1.00 0.00 H new ATOM 0 HG LEU A 68 5.931 -4.385 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.110 -5.344 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.177 -5.171 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.288 -4.012 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.255 -3.792 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.335 -2.379 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.933 -2.472 2.919 1.00 0.00 H new ATOM 1041 N GLY A 69 10.580 -3.166 2.389 1.00 0.00 N ATOM 1042 CA GLY A 69 11.638 -4.087 2.020 1.00 0.00 C ATOM 1043 C GLY A 69 12.966 -3.425 1.712 1.00 0.00 C ATOM 1044 O GLY A 69 13.127 -2.206 1.842 1.00 0.00 O ATOM 0 H GLY A 69 10.569 -2.894 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.781 -4.800 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.319 -4.657 1.147 1.00 0.00 H new ATOM 1048 N LEU A 70 13.911 -4.252 1.285 1.00 0.00 N ATOM 1049 CA LEU A 70 15.272 -3.823 1.002 1.00 0.00 C ATOM 1050 C LEU A 70 15.492 -3.798 -0.511 1.00 0.00 C ATOM 1051 O LEU A 70 14.939 -4.622 -1.241 1.00 0.00 O ATOM 1052 CB LEU A 70 16.242 -4.791 1.695 1.00 0.00 C ATOM 1053 CG LEU A 70 17.679 -4.298 1.916 1.00 0.00 C ATOM 1054 CD1 LEU A 70 18.547 -4.567 0.704 1.00 0.00 C ATOM 1055 CD2 LEU A 70 17.707 -2.819 2.268 1.00 0.00 C ATOM 0 H LEU A 70 13.752 -5.247 1.124 1.00 0.00 H new ATOM 0 HA LEU A 70 15.449 -2.817 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.821 -5.055 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.285 -5.707 1.106 1.00 0.00 H new ATOM 0 HG LEU A 70 18.086 -4.858 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 70 19.558 -4.206 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.575 -5.639 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.133 -4.050 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.738 -2.500 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.264 -2.243 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.139 -2.652 3.183 1.00 0.00 H new ATOM 1067 N CYS A 71 16.291 -2.852 -0.973 1.00 0.00 N ATOM 1068 CA CYS A 71 16.489 -2.634 -2.403 1.00 0.00 C ATOM 1069 C CYS A 71 17.647 -3.459 -2.959 1.00 0.00 C ATOM 1070 O CYS A 71 18.457 -3.967 -2.194 1.00 0.00 O ATOM 1071 CB CYS A 71 16.722 -1.152 -2.678 1.00 0.00 C ATOM 1072 SG CYS A 71 15.187 -0.193 -2.888 1.00 0.00 S ATOM 0 H CYS A 71 16.819 -2.215 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 71 15.583 -2.963 -2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.296 -0.725 -1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.329 -1.050 -3.578 1.00 0.00 H new ATOM 1077 N PRO A 72 17.707 -3.643 -4.298 1.00 0.00 N ATOM 1078 CA PRO A 72 18.795 -4.371 -4.966 1.00 0.00 C ATOM 1079 C PRO A 72 20.172 -4.107 -4.352 1.00 0.00 C ATOM 1080 O PRO A 72 20.936 -5.045 -4.105 1.00 0.00 O ATOM 1081 CB PRO A 72 18.728 -3.831 -6.388 1.00 0.00 C ATOM 1082 CG PRO A 72 17.280 -3.562 -6.613 1.00 0.00 C ATOM 1083 CD PRO A 72 16.701 -3.173 -5.273 1.00 0.00 C ATOM 0 HA PRO A 72 18.673 -5.451 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 72 19.323 -2.924 -6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.114 -4.554 -7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.143 -2.763 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.779 -4.445 -7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.549 -2.096 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.732 -3.644 -5.105 1.00 0.00 H new ATOM 1091 N LEU A 73 20.495 -2.838 -4.109 1.00 0.00 N ATOM 1092 CA LEU A 73 21.722 -2.512 -3.400 1.00 0.00 C ATOM 1093 C LEU A 73 21.512 -2.686 -1.915 1.00 0.00 C ATOM 1094 O LEU A 73 20.539 -2.200 -1.342 1.00 0.00 O ATOM 1095 CB LEU A 73 22.212 -1.107 -3.724 1.00 0.00 C ATOM 1096 CG LEU A 73 22.496 -0.896 -5.199 1.00 0.00 C ATOM 1097 CD1 LEU A 73 22.604 0.575 -5.537 1.00 0.00 C ATOM 1098 CD2 LEU A 73 23.772 -1.616 -5.599 1.00 0.00 C ATOM 0 H LEU A 73 19.933 -2.034 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 73 22.500 -3.198 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.464 -0.385 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.119 -0.906 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 73 21.659 -1.311 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 73 22.808 0.690 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.667 1.075 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 73 23.415 1.022 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 23.963 -1.456 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.607 -1.226 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.663 -2.683 -5.407 1.00 0.00 H new ATOM 1110 N LYS A 74 22.462 -3.359 -1.314 1.00 0.00 N ATOM 1111 CA LYS A 74 22.321 -3.894 0.038 1.00 0.00 C ATOM 1112 C LYS A 74 22.042 -2.811 1.082 1.00 0.00 C ATOM 1113 O LYS A 74 21.400 -3.071 2.098 1.00 0.00 O ATOM 1114 CB LYS A 74 23.585 -4.666 0.421 1.00 0.00 C ATOM 1115 CG LYS A 74 23.398 -5.617 1.595 1.00 0.00 C ATOM 1116 CD LYS A 74 22.916 -6.998 1.154 1.00 0.00 C ATOM 1117 CE LYS A 74 21.567 -6.956 0.451 1.00 0.00 C ATOM 1118 NZ LYS A 74 21.048 -8.318 0.163 1.00 0.00 N ATOM 0 H LYS A 74 23.365 -3.558 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 74 21.457 -4.559 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.927 -5.235 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.373 -3.954 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 74 24.342 -5.718 2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 74 22.679 -5.190 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.655 -7.439 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.846 -7.649 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.851 -6.419 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.661 -6.399 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.128 -8.245 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.719 -8.822 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.934 -8.842 1.054 1.00 0.00 H new ATOM 1132 N ARG A 75 22.517 -1.605 0.829 1.00 0.00 N ATOM 1133 CA ARG A 75 22.403 -0.523 1.798 1.00 0.00 C ATOM 1134 C ARG A 75 21.203 0.373 1.502 1.00 0.00 C ATOM 1135 O ARG A 75 20.916 1.310 2.247 1.00 0.00 O ATOM 1136 CB ARG A 75 23.675 0.310 1.776 1.00 0.00 C ATOM 1137 CG ARG A 75 24.922 -0.481 2.111 1.00 0.00 C ATOM 1138 CD ARG A 75 26.166 0.326 1.826 1.00 0.00 C ATOM 1139 NE ARG A 75 26.300 0.635 0.399 1.00 0.00 N ATOM 1140 CZ ARG A 75 27.374 1.219 -0.136 1.00 0.00 C ATOM 1141 NH1 ARG A 75 28.391 1.585 0.636 1.00 0.00 N ATOM 1142 NH2 ARG A 75 27.431 1.441 -1.442 1.00 0.00 N ATOM 0 H ARG A 75 22.986 -1.347 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 75 22.258 -0.965 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 75 23.791 0.755 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 75 23.574 1.131 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 75 24.903 -0.769 3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 75 24.940 -1.402 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 75 26.136 1.254 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 75 27.043 -0.227 2.162 1.00 0.00 H new ATOM 0 HE ARG A 75 25.528 0.389 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 75 28.353 1.420 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 75 29.210 2.031 0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 75 26.653 1.165 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 75 28.253 1.888 -1.848 1.00 0.00 H new ATOM 1156 N TRP A 76 20.500 0.078 0.424 1.00 0.00 N ATOM 1157 CA TRP A 76 19.445 0.959 -0.059 1.00 0.00 C ATOM 1158 C TRP A 76 18.077 0.520 0.430 1.00 0.00 C ATOM 1159 O TRP A 76 17.691 -0.635 0.274 1.00 0.00 O ATOM 1160 CB TRP A 76 19.452 0.995 -1.581 1.00 0.00 C ATOM 1161 CG TRP A 76 20.666 1.654 -2.156 1.00 0.00 C ATOM 1162 CD1 TRP A 76 21.963 1.426 -1.811 1.00 0.00 C ATOM 1163 CD2 TRP A 76 20.696 2.652 -3.177 1.00 0.00 C ATOM 1164 NE1 TRP A 76 22.798 2.210 -2.557 1.00 0.00 N ATOM 1165 CE2 TRP A 76 22.043 2.974 -3.406 1.00 0.00 C ATOM 1166 CE3 TRP A 76 19.715 3.300 -3.923 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 22.431 3.917 -4.351 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 20.095 4.236 -4.855 1.00 0.00 C ATOM 1169 CH2 TRP A 76 21.443 4.538 -5.067 1.00 0.00 C ATOM 0 H TRP A 76 20.638 -0.764 -0.136 1.00 0.00 H new ATOM 0 HA TRP A 76 19.643 1.955 0.337 1.00 0.00 H new ATOM 0 HB2 TRP A 76 19.387 -0.025 -1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 76 18.563 1.522 -1.928 1.00 0.00 H new ATOM 0 HD1 TRP A 76 22.286 0.725 -1.055 1.00 0.00 H new ATOM 0 HE1 TRP A 76 23.816 2.224 -2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.671 3.070 -3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 23.473 4.151 -4.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 19.339 4.747 -5.433 1.00 0.00 H new ATOM 0 HH2 TRP A 76 21.710 5.275 -5.810 1.00 0.00 H new ATOM 1180 N THR A 77 17.344 1.454 1.003 1.00 0.00 N ATOM 1181 CA THR A 77 16.008 1.179 1.503 1.00 0.00 C ATOM 1182 C THR A 77 14.962 1.510 0.440 1.00 0.00 C ATOM 1183 O THR A 77 15.163 2.414 -0.378 1.00 0.00 O ATOM 1184 CB THR A 77 15.726 2.004 2.771 1.00 0.00 C ATOM 1185 OG1 THR A 77 16.812 1.867 3.696 1.00 0.00 O ATOM 1186 CG2 THR A 77 14.432 1.558 3.439 1.00 0.00 C ATOM 0 H THR A 77 17.652 2.417 1.135 1.00 0.00 H new ATOM 0 HA THR A 77 15.950 0.118 1.746 1.00 0.00 H new ATOM 0 HB THR A 77 15.623 3.049 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 77 16.786 2.603 4.342 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.258 2.158 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.601 1.689 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.510 0.507 3.717 1.00 0.00 H new ATOM 1194 N CYS A 78 13.851 0.780 0.453 1.00 0.00 N ATOM 1195 CA CYS A 78 12.768 1.032 -0.484 1.00 0.00 C ATOM 1196 C CYS A 78 11.903 2.156 0.068 1.00 0.00 C ATOM 1197 O CYS A 78 11.234 1.989 1.084 1.00 0.00 O ATOM 1198 CB CYS A 78 11.937 -0.242 -0.706 1.00 0.00 C ATOM 1199 SG CYS A 78 10.685 -0.111 -2.031 1.00 0.00 S ATOM 0 H CYS A 78 13.680 0.012 1.101 1.00 0.00 H new ATOM 0 HA CYS A 78 13.176 1.327 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.612 -1.064 -0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 78 11.435 -0.500 0.226 1.00 0.00 H new ATOM 0 HG CYS A 78 10.605 -1.243 -2.666 1.00 0.00 H new ATOM 1204 N CYS A 79 11.944 3.305 -0.585 1.00 0.00 N ATOM 1205 CA CYS A 79 11.302 4.509 -0.070 1.00 0.00 C ATOM 1206 C CYS A 79 10.012 4.824 -0.802 1.00 0.00 C ATOM 1207 O CYS A 79 9.928 4.689 -2.019 1.00 0.00 O ATOM 1208 CB CYS A 79 12.269 5.684 -0.172 1.00 0.00 C ATOM 1209 SG CYS A 79 11.528 7.323 0.132 1.00 0.00 S ATOM 0 H CYS A 79 12.418 3.433 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 79 11.044 4.333 0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 79 13.079 5.531 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 79 12.715 5.683 -1.167 1.00 0.00 H new ATOM 1214 N LYS A 80 9.015 5.251 -0.050 1.00 0.00 N ATOM 1215 CA LYS A 80 7.719 5.581 -0.619 1.00 0.00 C ATOM 1216 C LYS A 80 7.673 7.062 -0.973 1.00 0.00 C ATOM 1217 O LYS A 80 7.433 7.902 -0.105 1.00 0.00 O ATOM 1218 CB LYS A 80 6.608 5.227 0.380 1.00 0.00 C ATOM 1219 CG LYS A 80 5.224 5.045 -0.242 1.00 0.00 C ATOM 1220 CD LYS A 80 4.541 6.357 -0.580 1.00 0.00 C ATOM 1221 CE LYS A 80 4.279 7.182 0.667 1.00 0.00 C ATOM 1222 NZ LYS A 80 3.554 8.441 0.361 1.00 0.00 N ATOM 0 H LYS A 80 9.077 5.378 0.960 1.00 0.00 H new ATOM 0 HA LYS A 80 7.564 5.002 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.883 4.308 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.552 6.012 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.317 4.447 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.594 4.483 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.164 6.926 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.599 6.158 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.698 6.592 1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.227 7.418 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.171 9.254 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.283 8.451 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.699 8.501 0.950 1.00 0.00 H new ATOM 1236 N GLU A 81 7.909 7.360 -2.252 1.00 0.00 N ATOM 1237 CA GLU A 81 7.856 8.728 -2.778 1.00 0.00 C ATOM 1238 C GLU A 81 8.860 9.648 -2.087 1.00 0.00 C ATOM 1239 O GLU A 81 8.616 10.150 -0.990 1.00 0.00 O ATOM 1240 CB GLU A 81 6.450 9.309 -2.657 1.00 0.00 C ATOM 1241 CG GLU A 81 5.429 8.614 -3.537 1.00 0.00 C ATOM 1242 CD GLU A 81 4.042 9.183 -3.356 1.00 0.00 C ATOM 1243 OE1 GLU A 81 3.604 9.984 -4.209 1.00 0.00 O ATOM 1244 OE2 GLU A 81 3.385 8.849 -2.355 1.00 0.00 O ATOM 0 H GLU A 81 8.143 6.659 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 81 8.126 8.668 -3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.127 9.243 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.480 10.368 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.726 8.710 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.417 7.549 -3.305 1.00 0.00 H new ATOM 1251 N ILE A 82 9.979 9.869 -2.755 1.00 0.00 N ATOM 1252 CA ILE A 82 11.042 10.714 -2.231 1.00 0.00 C ATOM 1253 C ILE A 82 10.569 12.158 -2.112 1.00 0.00 C ATOM 1254 O ILE A 82 10.317 12.793 -3.160 1.00 0.00 O ATOM 1255 CB ILE A 82 12.294 10.657 -3.132 1.00 0.00 C ATOM 1256 CG1 ILE A 82 12.739 9.205 -3.317 1.00 0.00 C ATOM 1257 CG2 ILE A 82 13.422 11.491 -2.534 1.00 0.00 C ATOM 1258 CD1 ILE A 82 13.902 9.040 -4.269 1.00 0.00 C ATOM 1259 OXT ILE A 82 10.452 12.657 -0.972 1.00 0.00 O ATOM 0 H ILE A 82 10.177 9.470 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 82 11.304 10.337 -1.242 1.00 0.00 H new ATOM 0 HB ILE A 82 12.044 11.074 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.015 8.793 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.895 8.620 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 82 14.296 11.439 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.099 12.528 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 82 13.678 11.103 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 82 14.160 7.984 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 82 13.624 9.421 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 82 14.761 9.596 -3.894 1.00 0.00 H new TER 1271 ILE A 82