USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 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 8 SER OG : rot 37:sc= 0.719 USER MOD Set 1.2: A 38 ASN : amide:sc= -1.92 K(o=-5.3,f=-15!) USER MOD Set 1.3: A 40 ASN : amide:sc= -4.13 K(o=-5.3,f=-14!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 82:sc= 1.11 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.19 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= -0.413 (180deg=-1.57!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -105:sc= -1.48 (180deg=-5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 169:sc= 0 (180deg=-0.224) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -135:sc=-0.00823 (180deg=-1.75!) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 8.589 11.382 2.802 1.00 0.00 N ATOM 23 CA ASP A 2 9.180 10.337 1.975 1.00 0.00 C ATOM 24 C ASP A 2 8.383 9.040 2.080 1.00 0.00 C ATOM 25 O ASP A 2 8.413 8.206 1.174 1.00 0.00 O ATOM 26 CB ASP A 2 10.632 10.090 2.388 1.00 0.00 C ATOM 27 CG ASP A 2 11.561 11.192 1.918 1.00 0.00 C ATOM 28 OD1 ASP A 2 11.326 12.363 2.283 1.00 0.00 O ATOM 29 OD2 ASP A 2 12.524 10.884 1.186 1.00 0.00 O ATOM 0 HA ASP A 2 9.155 10.674 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.689 10.008 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.967 9.137 1.978 1.00 0.00 H new ATOM 34 N THR A 3 7.670 8.873 3.192 1.00 0.00 N ATOM 35 CA THR A 3 6.866 7.677 3.415 1.00 0.00 C ATOM 36 C THR A 3 5.890 7.450 2.264 1.00 0.00 C ATOM 37 O THR A 3 5.556 6.312 1.933 1.00 0.00 O ATOM 38 CB THR A 3 6.096 7.794 4.731 1.00 0.00 C ATOM 39 OG1 THR A 3 6.973 8.108 5.798 1.00 0.00 O ATOM 40 CG2 THR A 3 5.351 6.531 5.103 1.00 0.00 C ATOM 0 H THR A 3 7.634 9.552 3.952 1.00 0.00 H new ATOM 0 HA THR A 3 7.542 6.823 3.468 1.00 0.00 H new ATOM 0 HB THR A 3 5.369 8.590 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.462 8.180 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.827 6.682 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.630 6.290 4.322 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.059 5.709 5.209 1.00 0.00 H new ATOM 48 N CYS A 4 5.435 8.542 1.658 1.00 0.00 N ATOM 49 CA CYS A 4 4.494 8.465 0.546 1.00 0.00 C ATOM 50 C CYS A 4 5.201 8.120 -0.767 1.00 0.00 C ATOM 51 O CYS A 4 4.558 8.001 -1.809 1.00 0.00 O ATOM 52 CB CYS A 4 3.743 9.792 0.402 1.00 0.00 C ATOM 53 SG CYS A 4 1.929 9.622 0.399 1.00 0.00 S ATOM 0 H CYS A 4 5.703 9.491 1.918 1.00 0.00 H new ATOM 0 HA CYS A 4 3.785 7.667 0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.034 10.453 1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.054 10.275 -0.525 1.00 0.00 H new ATOM 58 N ARG A 5 6.523 7.961 -0.714 1.00 0.00 N ATOM 59 CA ARG A 5 7.297 7.633 -1.907 1.00 0.00 C ATOM 60 C ARG A 5 7.923 6.242 -1.805 1.00 0.00 C ATOM 61 O ARG A 5 8.616 5.800 -2.722 1.00 0.00 O ATOM 62 CB ARG A 5 8.393 8.677 -2.127 1.00 0.00 C ATOM 63 CG ARG A 5 7.917 10.109 -1.943 1.00 0.00 C ATOM 64 CD ARG A 5 9.021 11.108 -2.252 1.00 0.00 C ATOM 65 NE ARG A 5 8.999 12.248 -1.339 1.00 0.00 N ATOM 66 CZ ARG A 5 9.604 13.408 -1.585 1.00 0.00 C ATOM 67 NH1 ARG A 5 10.278 13.587 -2.715 1.00 0.00 N ATOM 68 NH2 ARG A 5 9.534 14.391 -0.699 1.00 0.00 N ATOM 0 H ARG A 5 7.076 8.054 0.138 1.00 0.00 H new ATOM 0 HA ARG A 5 6.614 7.636 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.212 8.483 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.794 8.563 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.063 10.296 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.573 10.250 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.989 10.610 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.913 11.462 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 5 8.490 12.149 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.334 12.833 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.739 14.478 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.017 14.258 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.997 15.280 -0.886 1.00 0.00 H new ATOM 82 N LEU A 6 7.681 5.554 -0.691 1.00 0.00 N ATOM 83 CA LEU A 6 8.231 4.219 -0.488 1.00 0.00 C ATOM 84 C LEU A 6 7.583 3.209 -1.436 1.00 0.00 C ATOM 85 O LEU A 6 6.359 3.111 -1.505 1.00 0.00 O ATOM 86 CB LEU A 6 8.025 3.775 0.961 1.00 0.00 C ATOM 87 CG LEU A 6 8.382 4.822 2.016 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.159 4.267 3.415 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.824 5.278 1.847 1.00 0.00 C ATOM 0 H LEU A 6 7.110 5.899 0.081 1.00 0.00 H new ATOM 0 HA LEU A 6 9.299 4.259 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.981 3.490 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.624 2.882 1.140 1.00 0.00 H new ATOM 0 HG LEU A 6 7.730 5.684 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.418 5.026 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.112 3.989 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.787 3.388 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.061 6.023 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.491 4.423 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.954 5.715 0.857 1.00 0.00 H new ATOM 101 N PRO A 7 8.398 2.441 -2.184 1.00 0.00 N ATOM 102 CA PRO A 7 7.895 1.443 -3.124 1.00 0.00 C ATOM 103 C PRO A 7 7.614 0.102 -2.452 1.00 0.00 C ATOM 104 O PRO A 7 8.494 -0.755 -2.362 1.00 0.00 O ATOM 105 CB PRO A 7 9.048 1.314 -4.113 1.00 0.00 C ATOM 106 CG PRO A 7 10.272 1.549 -3.292 1.00 0.00 C ATOM 107 CD PRO A 7 9.873 2.487 -2.176 1.00 0.00 C ATOM 0 HA PRO A 7 6.946 1.733 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.065 0.328 -4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.964 2.044 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.655 0.611 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.067 1.984 -3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 7 10.278 2.162 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.242 3.497 -2.352 1.00 0.00 H new ATOM 115 N SER A 8 6.384 -0.073 -1.978 1.00 0.00 N ATOM 116 CA SER A 8 5.991 -1.311 -1.312 1.00 0.00 C ATOM 117 C SER A 8 5.920 -2.468 -2.305 1.00 0.00 C ATOM 118 O SER A 8 5.361 -2.331 -3.394 1.00 0.00 O ATOM 119 CB SER A 8 4.639 -1.138 -0.619 1.00 0.00 C ATOM 120 OG SER A 8 4.792 -0.542 0.657 1.00 0.00 O ATOM 0 H SER A 8 5.643 0.625 -2.042 1.00 0.00 H new ATOM 0 HA SER A 8 6.748 -1.544 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.987 -0.520 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.154 -2.108 -0.515 1.00 0.00 H new ATOM 0 HG SER A 8 5.508 0.127 0.622 1.00 0.00 H new ATOM 126 N ASP A 9 6.485 -3.607 -1.918 1.00 0.00 N ATOM 127 CA ASP A 9 6.481 -4.790 -2.770 1.00 0.00 C ATOM 128 C ASP A 9 5.450 -5.801 -2.281 1.00 0.00 C ATOM 129 O ASP A 9 5.455 -6.194 -1.115 1.00 0.00 O ATOM 130 CB ASP A 9 7.872 -5.429 -2.800 1.00 0.00 C ATOM 131 CG ASP A 9 8.392 -5.617 -4.212 1.00 0.00 C ATOM 132 OD1 ASP A 9 7.646 -6.168 -5.050 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.543 -5.215 -4.480 1.00 0.00 O ATOM 0 H ASP A 9 6.951 -3.736 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 9 6.213 -4.483 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.568 -4.804 -2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.836 -6.396 -2.297 1.00 0.00 H new ATOM 138 N ARG A 10 4.561 -6.216 -3.174 1.00 0.00 N ATOM 139 CA ARG A 10 3.523 -7.175 -2.826 1.00 0.00 C ATOM 140 C ARG A 10 4.110 -8.541 -2.482 1.00 0.00 C ATOM 141 O ARG A 10 3.426 -9.390 -1.914 1.00 0.00 O ATOM 142 CB ARG A 10 2.528 -7.304 -3.975 1.00 0.00 C ATOM 143 CG ARG A 10 3.183 -7.610 -5.313 1.00 0.00 C ATOM 144 CD ARG A 10 2.910 -9.038 -5.758 1.00 0.00 C ATOM 145 NE ARG A 10 1.546 -9.205 -6.257 1.00 0.00 N ATOM 146 CZ ARG A 10 1.231 -9.916 -7.344 1.00 0.00 C ATOM 147 NH1 ARG A 10 2.173 -10.548 -8.034 1.00 0.00 N ATOM 148 NH2 ARG A 10 -0.033 -10.006 -7.738 1.00 0.00 N ATOM 0 H ARG A 10 4.539 -5.903 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 10 3.008 -6.804 -1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.814 -8.093 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.961 -6.377 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.812 -6.916 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.259 -7.452 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.618 -9.316 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.075 -9.716 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 10 0.789 -8.752 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.147 -10.493 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.923 -11.088 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.766 -9.532 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.271 -10.549 -8.568 1.00 0.00 H new ATOM 162 N GLY A 11 5.379 -8.748 -2.821 1.00 0.00 N ATOM 163 CA GLY A 11 6.022 -10.013 -2.527 1.00 0.00 C ATOM 164 C GLY A 11 5.291 -11.204 -3.118 1.00 0.00 C ATOM 165 O GLY A 11 4.201 -11.558 -2.670 1.00 0.00 O ATOM 0 H GLY A 11 5.971 -8.064 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.042 -9.993 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.091 -10.136 -1.446 1.00 0.00 H new ATOM 169 N ARG A 12 5.898 -11.831 -4.119 1.00 0.00 N ATOM 170 CA ARG A 12 5.300 -12.995 -4.763 1.00 0.00 C ATOM 171 C ARG A 12 5.415 -14.233 -3.871 1.00 0.00 C ATOM 172 O ARG A 12 4.858 -15.285 -4.186 1.00 0.00 O ATOM 173 CB ARG A 12 5.972 -13.257 -6.113 1.00 0.00 C ATOM 174 CG ARG A 12 4.998 -13.288 -7.280 1.00 0.00 C ATOM 175 CD ARG A 12 4.464 -14.690 -7.527 1.00 0.00 C ATOM 176 NE ARG A 12 4.784 -15.171 -8.869 1.00 0.00 N ATOM 177 CZ ARG A 12 4.139 -14.785 -9.968 1.00 0.00 C ATOM 178 NH1 ARG A 12 3.141 -13.914 -9.889 1.00 0.00 N ATOM 179 NH2 ARG A 12 4.493 -15.274 -11.149 1.00 0.00 N ATOM 0 H ARG A 12 6.802 -11.554 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 12 4.243 -12.787 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.719 -12.484 -6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.502 -14.208 -6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.167 -12.612 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.495 -12.924 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.883 -15.373 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.383 -14.695 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 12 5.546 -15.842 -8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.864 -13.536 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.651 -13.622 -10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.258 -15.945 -11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.000 -14.979 -11.992 1.00 0.00 H new ATOM 193 N CYS A 13 6.143 -14.103 -2.761 1.00 0.00 N ATOM 194 CA CYS A 13 6.335 -15.209 -1.827 1.00 0.00 C ATOM 195 C CYS A 13 5.023 -15.942 -1.546 1.00 0.00 C ATOM 196 O CYS A 13 4.759 -16.999 -2.119 1.00 0.00 O ATOM 197 CB CYS A 13 6.945 -14.697 -0.518 1.00 0.00 C ATOM 198 SG CYS A 13 8.459 -13.707 -0.736 1.00 0.00 S ATOM 0 H CYS A 13 6.610 -13.238 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 13 7.021 -15.919 -2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.202 -14.094 0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.171 -15.550 0.122 1.00 0.00 H new ATOM 203 N LYS A 14 4.204 -15.378 -0.662 1.00 0.00 N ATOM 204 CA LYS A 14 2.925 -15.986 -0.311 1.00 0.00 C ATOM 205 C LYS A 14 1.758 -15.162 -0.849 1.00 0.00 C ATOM 206 O LYS A 14 0.743 -14.994 -0.173 1.00 0.00 O ATOM 207 CB LYS A 14 2.808 -16.130 1.208 1.00 0.00 C ATOM 208 CG LYS A 14 3.904 -16.987 1.823 1.00 0.00 C ATOM 209 CD LYS A 14 4.430 -16.382 3.118 1.00 0.00 C ATOM 210 CE LYS A 14 3.995 -17.189 4.331 1.00 0.00 C ATOM 211 NZ LYS A 14 2.869 -16.538 5.056 1.00 0.00 N ATOM 0 H LYS A 14 4.403 -14.503 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 14 2.884 -16.974 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.835 -15.139 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.839 -16.565 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.517 -17.987 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.723 -17.095 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.518 -16.336 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.070 -15.358 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.694 -18.187 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.840 -17.311 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.602 -17.119 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.164 -15.595 5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.053 -16.444 4.418 1.00 0.00 H new ATOM 225 N ALA A 15 1.907 -14.652 -2.069 1.00 0.00 N ATOM 226 CA ALA A 15 0.862 -13.846 -2.697 1.00 0.00 C ATOM 227 C ALA A 15 -0.504 -14.514 -2.568 1.00 0.00 C ATOM 228 O ALA A 15 -0.840 -15.414 -3.338 1.00 0.00 O ATOM 229 CB ALA A 15 1.195 -13.600 -4.160 1.00 0.00 C ATOM 0 H ALA A 15 2.740 -14.782 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 15 0.817 -12.888 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.409 -12.999 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.145 -13.071 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.270 -14.554 -4.681 1.00 0.00 H new ATOM 235 N SER A 16 -1.283 -14.074 -1.585 1.00 0.00 N ATOM 236 CA SER A 16 -2.609 -14.639 -1.353 1.00 0.00 C ATOM 237 C SER A 16 -3.640 -13.561 -1.018 1.00 0.00 C ATOM 238 O SER A 16 -4.829 -13.729 -1.294 1.00 0.00 O ATOM 239 CB SER A 16 -2.550 -15.668 -0.223 1.00 0.00 C ATOM 240 OG SER A 16 -1.327 -16.382 -0.246 1.00 0.00 O ATOM 0 H SER A 16 -1.021 -13.330 -0.938 1.00 0.00 H new ATOM 0 HA SER A 16 -2.924 -15.124 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.663 -15.165 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.383 -16.365 -0.318 1.00 0.00 H new ATOM 0 HG SER A 16 -0.632 -15.854 0.200 1.00 0.00 H new ATOM 246 N PHE A 17 -3.192 -12.460 -0.419 1.00 0.00 N ATOM 247 CA PHE A 17 -4.096 -11.376 -0.049 1.00 0.00 C ATOM 248 C PHE A 17 -3.854 -10.144 -0.910 1.00 0.00 C ATOM 249 O PHE A 17 -2.899 -10.091 -1.683 1.00 0.00 O ATOM 250 CB PHE A 17 -3.924 -11.019 1.428 1.00 0.00 C ATOM 251 CG PHE A 17 -4.189 -12.168 2.357 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.281 -13.209 2.471 1.00 0.00 C ATOM 253 CD2 PHE A 17 -5.347 -12.208 3.118 1.00 0.00 C ATOM 254 CE1 PHE A 17 -3.523 -14.267 3.325 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.594 -13.264 3.973 1.00 0.00 C ATOM 256 CZ PHE A 17 -4.682 -14.296 4.077 1.00 0.00 C ATOM 0 H PHE A 17 -2.214 -12.296 -0.181 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.117 -11.719 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.909 -10.658 1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.598 -10.199 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.374 -13.193 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.064 -11.404 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.807 -15.071 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.500 -13.283 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.874 -15.123 4.744 1.00 0.00 H new ATOM 266 N GLU A 18 -4.726 -9.151 -0.766 1.00 0.00 N ATOM 267 CA GLU A 18 -4.610 -7.913 -1.524 1.00 0.00 C ATOM 268 C GLU A 18 -4.533 -6.713 -0.586 1.00 0.00 C ATOM 269 O GLU A 18 -5.208 -6.676 0.444 1.00 0.00 O ATOM 270 CB GLU A 18 -5.798 -7.757 -2.475 1.00 0.00 C ATOM 271 CG GLU A 18 -7.147 -7.948 -1.801 1.00 0.00 C ATOM 272 CD GLU A 18 -8.279 -8.103 -2.797 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.189 -8.996 -3.665 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.257 -7.330 -2.709 1.00 0.00 O ATOM 0 H GLU A 18 -5.522 -9.181 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.692 -7.957 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.764 -6.765 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.701 -8.479 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.108 -8.829 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.351 -7.094 -1.155 1.00 0.00 H new ATOM 281 N ARG A 19 -3.708 -5.734 -0.942 1.00 0.00 N ATOM 282 CA ARG A 19 -3.547 -4.539 -0.121 1.00 0.00 C ATOM 283 C ARG A 19 -3.380 -3.295 -0.987 1.00 0.00 C ATOM 284 O ARG A 19 -3.253 -3.388 -2.208 1.00 0.00 O ATOM 285 CB ARG A 19 -2.344 -4.692 0.809 1.00 0.00 C ATOM 286 CG ARG A 19 -2.526 -5.768 1.868 1.00 0.00 C ATOM 287 CD ARG A 19 -1.774 -5.427 3.144 1.00 0.00 C ATOM 288 NE ARG A 19 -2.491 -5.872 4.337 1.00 0.00 N ATOM 289 CZ ARG A 19 -2.624 -7.149 4.687 1.00 0.00 C ATOM 290 NH1 ARG A 19 -2.090 -8.107 3.941 1.00 0.00 N ATOM 291 NH2 ARG A 19 -3.294 -7.469 5.786 1.00 0.00 N ATOM 0 H ARG A 19 -3.142 -5.744 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.450 -4.420 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.462 -4.926 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.152 -3.738 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.587 -5.886 2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.173 -6.724 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.788 -5.891 3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.618 -4.350 3.196 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.914 -5.163 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.574 -7.866 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.195 -9.084 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.707 -6.736 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.396 -8.448 6.054 1.00 0.00 H new ATOM 305 N TRP A 20 -3.382 -2.132 -0.343 1.00 0.00 N ATOM 306 CA TRP A 20 -3.231 -0.865 -1.049 1.00 0.00 C ATOM 307 C TRP A 20 -1.883 -0.223 -0.737 1.00 0.00 C ATOM 308 O TRP A 20 -1.305 -0.448 0.325 1.00 0.00 O ATOM 309 CB TRP A 20 -4.367 0.087 -0.679 1.00 0.00 C ATOM 310 CG TRP A 20 -5.712 -0.398 -1.127 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.524 -1.279 -0.476 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.398 -0.031 -2.330 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.675 -1.483 -1.196 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.621 -0.729 -2.338 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.100 0.819 -3.398 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.542 -0.602 -3.372 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.017 0.943 -4.426 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.226 0.237 -4.406 1.00 0.00 C ATOM 0 H TRP A 20 -3.487 -2.041 0.668 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.273 -1.066 -2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.379 0.225 0.402 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.173 1.063 -1.123 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.295 -1.748 0.469 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.444 -2.096 -0.925 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.171 1.369 -3.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.475 -1.147 -3.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.797 1.595 -5.258 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -8.923 0.357 -5.222 1.00 0.00 H new ATOM 329 N TYR A 21 -1.387 0.568 -1.680 1.00 0.00 N ATOM 330 CA TYR A 21 -0.101 1.242 -1.528 1.00 0.00 C ATOM 331 C TYR A 21 -0.145 2.619 -2.181 1.00 0.00 C ATOM 332 O TYR A 21 -0.570 2.757 -3.328 1.00 0.00 O ATOM 333 CB TYR A 21 1.018 0.400 -2.153 1.00 0.00 C ATOM 334 CG TYR A 21 0.586 -0.338 -3.402 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.356 -1.355 -3.332 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.100 -0.004 -4.648 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.779 -2.014 -4.465 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.687 -0.667 -5.789 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.257 -1.670 -5.692 1.00 0.00 C ATOM 340 OH TYR A 21 -0.697 -2.315 -6.826 1.00 0.00 O ATOM 0 H TYR A 21 -1.858 0.760 -2.564 1.00 0.00 H new ATOM 0 HA TYR A 21 0.103 1.364 -0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.859 1.049 -2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.374 -0.322 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.764 -1.635 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.833 0.785 -4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.518 -2.798 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.101 -0.402 -6.751 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.230 -1.955 -7.609 1.00 0.00 H new ATOM 350 N PHE A 22 0.290 3.637 -1.447 1.00 0.00 N ATOM 351 CA PHE A 22 0.288 5.000 -1.964 1.00 0.00 C ATOM 352 C PHE A 22 1.333 5.173 -3.062 1.00 0.00 C ATOM 353 O PHE A 22 2.514 4.892 -2.860 1.00 0.00 O ATOM 354 CB PHE A 22 0.546 6.000 -0.836 1.00 0.00 C ATOM 355 CG PHE A 22 -0.272 7.253 -0.953 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.110 8.269 -1.814 1.00 0.00 C ATOM 357 CD2 PHE A 22 -1.425 7.415 -0.201 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.642 9.423 -1.924 1.00 0.00 C ATOM 359 CE2 PHE A 22 -2.182 8.566 -0.306 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.790 9.571 -1.169 1.00 0.00 C ATOM 0 H PHE A 22 0.647 3.545 -0.496 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.696 5.193 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.331 5.522 0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.603 6.264 -0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.006 8.158 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.735 6.632 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.333 10.208 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.078 8.680 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.380 10.472 -1.254 1.00 0.00 H new ATOM 370 N ASN A 23 0.885 5.639 -4.224 1.00 0.00 N ATOM 371 CA ASN A 23 1.775 5.853 -5.359 1.00 0.00 C ATOM 372 C ASN A 23 1.707 7.301 -5.836 1.00 0.00 C ATOM 373 O ASN A 23 0.999 7.617 -6.791 1.00 0.00 O ATOM 374 CB ASN A 23 1.412 4.908 -6.505 1.00 0.00 C ATOM 375 CG ASN A 23 2.401 4.979 -7.651 1.00 0.00 C ATOM 376 OD1 ASN A 23 3.546 4.544 -7.526 1.00 0.00 O ATOM 377 ND2 ASN A 23 1.965 5.532 -8.777 1.00 0.00 N ATOM 0 H ASN A 23 -0.091 5.876 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 23 2.794 5.643 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.369 3.886 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.416 5.154 -6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.587 5.609 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.008 5.880 -8.837 1.00 0.00 H new ATOM 384 N GLY A 24 2.444 8.176 -5.160 1.00 0.00 N ATOM 385 CA GLY A 24 2.453 9.579 -5.524 1.00 0.00 C ATOM 386 C GLY A 24 1.261 10.329 -4.968 1.00 0.00 C ATOM 387 O GLY A 24 1.353 10.963 -3.917 1.00 0.00 O ATOM 0 H GLY A 24 3.036 7.937 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.371 10.040 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.461 9.669 -6.610 1.00 0.00 H new ATOM 391 N ARG A 25 0.139 10.257 -5.675 1.00 0.00 N ATOM 392 CA ARG A 25 -1.079 10.939 -5.247 1.00 0.00 C ATOM 393 C ARG A 25 -2.272 9.985 -5.218 1.00 0.00 C ATOM 394 O ARG A 25 -3.232 10.205 -4.479 1.00 0.00 O ATOM 395 CB ARG A 25 -1.378 12.119 -6.171 1.00 0.00 C ATOM 396 CG ARG A 25 -1.399 11.751 -7.647 1.00 0.00 C ATOM 397 CD ARG A 25 -0.756 12.832 -8.503 1.00 0.00 C ATOM 398 NE ARG A 25 0.319 12.301 -9.338 1.00 0.00 N ATOM 399 CZ ARG A 25 1.551 12.059 -8.895 1.00 0.00 C ATOM 400 NH1 ARG A 25 1.867 12.297 -7.627 1.00 0.00 N ATOM 401 NH2 ARG A 25 2.469 11.579 -9.721 1.00 0.00 N ATOM 0 H ARG A 25 0.046 9.734 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.915 11.307 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.343 12.547 -5.899 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.629 12.894 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.873 10.808 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.429 11.595 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.514 13.291 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.361 13.617 -7.859 1.00 0.00 H new ATOM 0 HE ARG A 25 0.114 12.104 -10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.164 12.667 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.812 12.110 -7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.232 11.395 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.413 11.393 -9.382 1.00 0.00 H new ATOM 415 N THR A 26 -2.212 8.928 -6.025 1.00 0.00 N ATOM 416 CA THR A 26 -3.295 7.952 -6.083 1.00 0.00 C ATOM 417 C THR A 26 -2.867 6.624 -5.468 1.00 0.00 C ATOM 418 O THR A 26 -1.676 6.322 -5.387 1.00 0.00 O ATOM 419 CB THR A 26 -3.737 7.736 -7.531 1.00 0.00 C ATOM 420 OG1 THR A 26 -4.062 8.971 -8.145 1.00 0.00 O ATOM 421 CG2 THR A 26 -4.941 6.828 -7.660 1.00 0.00 C ATOM 0 H THR A 26 -1.428 8.727 -6.645 1.00 0.00 H new ATOM 0 HA THR A 26 -4.133 8.344 -5.507 1.00 0.00 H new ATOM 0 HB THR A 26 -2.889 7.260 -8.024 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.341 8.813 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.202 6.717 -8.712 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.706 5.850 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.783 7.262 -7.121 1.00 0.00 H new ATOM 429 N CYS A 27 -3.845 5.835 -5.038 1.00 0.00 N ATOM 430 CA CYS A 27 -3.568 4.539 -4.433 1.00 0.00 C ATOM 431 C CYS A 27 -3.530 3.441 -5.491 1.00 0.00 C ATOM 432 O CYS A 27 -3.955 3.644 -6.629 1.00 0.00 O ATOM 433 CB CYS A 27 -4.619 4.209 -3.371 1.00 0.00 C ATOM 434 SG CYS A 27 -4.733 5.436 -2.028 1.00 0.00 S ATOM 0 H CYS A 27 -4.836 6.070 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.589 4.592 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.593 4.123 -3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.390 3.235 -2.940 1.00 0.00 H new ATOM 439 N ALA A 28 -3.012 2.281 -5.107 1.00 0.00 N ATOM 440 CA ALA A 28 -2.903 1.144 -6.013 1.00 0.00 C ATOM 441 C ALA A 28 -3.293 -0.150 -5.303 1.00 0.00 C ATOM 442 O ALA A 28 -3.594 -0.139 -4.110 1.00 0.00 O ATOM 443 CB ALA A 28 -1.499 1.060 -6.584 1.00 0.00 C ATOM 0 H ALA A 28 -2.658 2.102 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.597 1.288 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.431 0.207 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.274 1.975 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.783 0.938 -5.772 1.00 0.00 H new ATOM 449 N LYS A 29 -3.307 -1.263 -6.036 1.00 0.00 N ATOM 450 CA LYS A 29 -3.685 -2.546 -5.450 1.00 0.00 C ATOM 451 C LYS A 29 -2.939 -3.707 -6.099 1.00 0.00 C ATOM 452 O LYS A 29 -2.677 -3.700 -7.302 1.00 0.00 O ATOM 453 CB LYS A 29 -5.195 -2.762 -5.580 1.00 0.00 C ATOM 454 CG LYS A 29 -5.671 -2.906 -7.017 1.00 0.00 C ATOM 455 CD LYS A 29 -6.837 -3.876 -7.121 1.00 0.00 C ATOM 456 CE LYS A 29 -7.894 -3.374 -8.091 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.297 -1.970 -7.796 1.00 0.00 N ATOM 0 H LYS A 29 -3.064 -1.302 -7.026 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.409 -2.518 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.474 -3.656 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.714 -1.923 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.971 -1.931 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.848 -3.255 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.473 -4.850 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.283 -4.018 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.510 -3.435 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.770 -4.021 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.301 -1.840 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.151 -1.772 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.720 -1.317 -8.364 1.00 0.00 H new ATOM 471 N PHE A 30 -2.604 -4.705 -5.286 1.00 0.00 N ATOM 472 CA PHE A 30 -1.891 -5.884 -5.764 1.00 0.00 C ATOM 473 C PHE A 30 -2.031 -7.041 -4.777 1.00 0.00 C ATOM 474 O PHE A 30 -2.620 -6.885 -3.708 1.00 0.00 O ATOM 475 CB PHE A 30 -0.410 -5.565 -6.008 1.00 0.00 C ATOM 476 CG PHE A 30 0.283 -4.841 -4.880 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.256 -4.808 -3.600 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.491 -4.199 -5.106 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.397 -4.149 -2.575 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.147 -3.538 -4.083 1.00 0.00 C ATOM 481 CZ PHE A 30 1.599 -3.515 -2.816 1.00 0.00 C ATOM 0 H PHE A 30 -2.816 -4.720 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.338 -6.185 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.120 -6.498 -6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.329 -4.961 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.196 -5.303 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.926 -4.215 -6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.034 -4.130 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.086 -3.041 -4.275 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.110 -3.002 -2.015 1.00 0.00 H new ATOM 491 N ILE A 31 -1.488 -8.199 -5.139 1.00 0.00 N ATOM 492 CA ILE A 31 -1.557 -9.369 -4.274 1.00 0.00 C ATOM 493 C ILE A 31 -0.360 -9.393 -3.335 1.00 0.00 C ATOM 494 O ILE A 31 0.753 -9.719 -3.742 1.00 0.00 O ATOM 495 CB ILE A 31 -1.584 -10.673 -5.096 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.744 -10.650 -6.093 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.691 -11.883 -4.178 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.106 -10.614 -5.434 1.00 0.00 C ATOM 0 H ILE A 31 -0.998 -8.351 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.480 -9.303 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.650 -10.749 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.639 -9.779 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.681 -11.531 -6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.709 -12.794 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.833 -11.907 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.608 -11.816 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.881 -10.599 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.231 -11.498 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.188 -9.719 -4.817 1.00 0.00 H new ATOM 510 N TYR A 32 -0.597 -9.027 -2.079 1.00 0.00 N ATOM 511 CA TYR A 32 0.466 -8.976 -1.085 1.00 0.00 C ATOM 512 C TYR A 32 0.637 -10.315 -0.380 1.00 0.00 C ATOM 513 O TYR A 32 -0.197 -10.719 0.431 1.00 0.00 O ATOM 514 CB TYR A 32 0.167 -7.880 -0.058 1.00 0.00 C ATOM 515 CG TYR A 32 1.177 -7.798 1.067 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.379 -7.122 0.901 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.925 -8.397 2.295 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.302 -7.045 1.926 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.843 -8.324 3.326 1.00 0.00 C ATOM 520 CZ TYR A 32 3.029 -7.647 3.137 1.00 0.00 C ATOM 521 OH TYR A 32 3.945 -7.572 4.160 1.00 0.00 O ATOM 0 H TYR A 32 -1.517 -8.762 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 32 1.398 -8.748 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.129 -6.918 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.821 -8.054 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.596 -6.649 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.003 -8.928 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.232 -6.516 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.632 -8.795 4.275 1.00 0.00 H new ATOM 0 HH TYR A 32 3.599 -8.047 4.944 1.00 0.00 H new ATOM 531 N GLY A 33 1.735 -10.993 -0.695 1.00 0.00 N ATOM 532 CA GLY A 33 2.019 -12.276 -0.085 1.00 0.00 C ATOM 533 C GLY A 33 2.712 -12.132 1.255 1.00 0.00 C ATOM 534 O GLY A 33 2.571 -12.986 2.131 1.00 0.00 O ATOM 0 H GLY A 33 2.435 -10.674 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.088 -12.828 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.646 -12.864 -0.755 1.00 0.00 H new ATOM 538 N GLY A 34 3.461 -11.044 1.420 1.00 0.00 N ATOM 539 CA GLY A 34 4.160 -10.812 2.671 1.00 0.00 C ATOM 540 C GLY A 34 5.593 -10.341 2.485 1.00 0.00 C ATOM 541 O GLY A 34 6.290 -10.076 3.466 1.00 0.00 O ATOM 0 H GLY A 34 3.595 -10.322 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.614 -10.068 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.161 -11.733 3.254 1.00 0.00 H new ATOM 545 N CYS A 35 6.045 -10.234 1.237 1.00 0.00 N ATOM 546 CA CYS A 35 7.409 -9.789 0.964 1.00 0.00 C ATOM 547 C CYS A 35 7.421 -8.400 0.331 1.00 0.00 C ATOM 548 O CYS A 35 7.174 -8.246 -0.867 1.00 0.00 O ATOM 549 CB CYS A 35 8.131 -10.793 0.059 1.00 0.00 C ATOM 550 SG CYS A 35 8.425 -12.417 0.832 1.00 0.00 S ATOM 0 H CYS A 35 5.493 -10.447 0.406 1.00 0.00 H new ATOM 0 HA CYS A 35 7.938 -9.731 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.544 -10.936 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.088 -10.369 -0.245 1.00 0.00 H new ATOM 555 N GLY A 36 7.712 -7.388 1.146 1.00 0.00 N ATOM 556 CA GLY A 36 7.755 -6.024 0.654 1.00 0.00 C ATOM 557 C GLY A 36 6.787 -5.109 1.380 1.00 0.00 C ATOM 558 O GLY A 36 5.639 -4.951 0.966 1.00 0.00 O ATOM 0 H GLY A 36 7.919 -7.491 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.767 -5.635 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.524 -6.019 -0.411 1.00 0.00 H new ATOM 562 N GLY A 37 7.253 -4.501 2.466 1.00 0.00 N ATOM 563 CA GLY A 37 6.412 -3.602 3.232 1.00 0.00 C ATOM 564 C GLY A 37 7.222 -2.592 4.019 1.00 0.00 C ATOM 565 O GLY A 37 7.995 -2.961 4.903 1.00 0.00 O ATOM 0 H GLY A 37 8.199 -4.616 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.736 -3.077 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.793 -4.181 3.917 1.00 0.00 H new ATOM 569 N ASN A 38 7.052 -1.314 3.695 1.00 0.00 N ATOM 570 CA ASN A 38 7.783 -0.252 4.379 1.00 0.00 C ATOM 571 C ASN A 38 6.839 0.645 5.178 1.00 0.00 C ATOM 572 O ASN A 38 6.593 0.397 6.359 1.00 0.00 O ATOM 573 CB ASN A 38 8.594 0.580 3.376 1.00 0.00 C ATOM 574 CG ASN A 38 7.973 0.604 1.992 1.00 0.00 C ATOM 575 OD1 ASN A 38 6.751 0.638 1.850 1.00 0.00 O ATOM 576 ND2 ASN A 38 8.813 0.580 0.964 1.00 0.00 N ATOM 0 H ASN A 38 6.417 -0.989 2.966 1.00 0.00 H new ATOM 0 HA ASN A 38 8.473 -0.722 5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.683 1.601 3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.604 0.176 3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.452 0.590 0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.819 0.552 1.128 1.00 0.00 H new ATOM 583 N GLY A 39 6.318 1.691 4.540 1.00 0.00 N ATOM 584 CA GLY A 39 5.419 2.598 5.231 1.00 0.00 C ATOM 585 C GLY A 39 4.251 3.060 4.376 1.00 0.00 C ATOM 586 O GLY A 39 3.415 3.837 4.838 1.00 0.00 O ATOM 0 H GLY A 39 6.501 1.925 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.033 2.105 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.981 3.470 5.566 1.00 0.00 H new ATOM 590 N ASN A 40 4.184 2.593 3.132 1.00 0.00 N ATOM 591 CA ASN A 40 3.097 2.983 2.237 1.00 0.00 C ATOM 592 C ASN A 40 2.129 1.826 1.991 1.00 0.00 C ATOM 593 O ASN A 40 1.025 2.031 1.486 1.00 0.00 O ATOM 594 CB ASN A 40 3.655 3.506 0.909 1.00 0.00 C ATOM 595 CG ASN A 40 4.210 2.407 0.024 1.00 0.00 C ATOM 596 OD1 ASN A 40 5.262 1.835 0.310 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.506 2.110 -1.061 1.00 0.00 N ATOM 0 H ASN A 40 4.862 1.950 2.723 1.00 0.00 H new ATOM 0 HA ASN A 40 2.540 3.784 2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.866 4.033 0.372 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.442 4.232 1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.832 1.382 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.639 2.610 -1.259 1.00 0.00 H new ATOM 604 N LYS A 41 2.543 0.613 2.353 1.00 0.00 N ATOM 605 CA LYS A 41 1.699 -0.563 2.170 1.00 0.00 C ATOM 606 C LYS A 41 0.612 -0.622 3.241 1.00 0.00 C ATOM 607 O LYS A 41 0.898 -0.860 4.415 1.00 0.00 O ATOM 608 CB LYS A 41 2.546 -1.838 2.215 1.00 0.00 C ATOM 609 CG LYS A 41 2.269 -2.792 1.064 1.00 0.00 C ATOM 610 CD LYS A 41 1.124 -3.738 1.390 1.00 0.00 C ATOM 611 CE LYS A 41 1.472 -4.657 2.549 1.00 0.00 C ATOM 612 NZ LYS A 41 0.987 -4.121 3.852 1.00 0.00 N ATOM 0 H LYS A 41 3.453 0.421 2.772 1.00 0.00 H new ATOM 0 HA LYS A 41 1.220 -0.489 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.601 -1.564 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.361 -2.354 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.028 -2.222 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.167 -3.368 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.233 -3.161 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.883 -4.335 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.034 -5.640 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.553 -4.792 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.791 -3.740 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.295 -3.363 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.536 -4.885 4.395 1.00 0.00 H new ATOM 626 N PHE A 42 -0.633 -0.404 2.830 1.00 0.00 N ATOM 627 CA PHE A 42 -1.759 -0.432 3.756 1.00 0.00 C ATOM 628 C PHE A 42 -2.767 -1.509 3.357 1.00 0.00 C ATOM 629 O PHE A 42 -2.922 -1.816 2.176 1.00 0.00 O ATOM 630 CB PHE A 42 -2.444 0.935 3.799 1.00 0.00 C ATOM 631 CG PHE A 42 -1.514 2.062 4.147 1.00 0.00 C ATOM 632 CD1 PHE A 42 -0.976 2.165 5.421 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.175 3.016 3.202 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.120 3.199 5.745 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.319 4.054 3.521 1.00 0.00 C ATOM 636 CZ PHE A 42 0.209 4.146 4.794 1.00 0.00 C ATOM 0 H PHE A 42 -0.887 -0.206 1.862 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.376 -0.670 4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.898 1.136 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.253 0.904 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.229 1.428 6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.584 2.948 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.292 3.267 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.063 4.792 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.877 4.956 5.046 1.00 0.00 H new ATOM 646 N PRO A 43 -3.466 -2.101 4.341 1.00 0.00 N ATOM 647 CA PRO A 43 -4.460 -3.151 4.085 1.00 0.00 C ATOM 648 C PRO A 43 -5.570 -2.689 3.144 1.00 0.00 C ATOM 649 O PRO A 43 -5.748 -3.245 2.060 1.00 0.00 O ATOM 650 CB PRO A 43 -5.036 -3.455 5.474 1.00 0.00 C ATOM 651 CG PRO A 43 -4.001 -2.980 6.434 1.00 0.00 C ATOM 652 CD PRO A 43 -3.343 -1.800 5.779 1.00 0.00 C ATOM 0 HA PRO A 43 -4.011 -4.016 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.984 -2.940 5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.228 -4.521 5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.451 -2.698 7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.275 -3.765 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.841 -0.866 6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.301 -1.701 6.082 1.00 0.00 H new ATOM 660 N THR A 44 -6.316 -1.674 3.568 1.00 0.00 N ATOM 661 CA THR A 44 -7.414 -1.143 2.765 1.00 0.00 C ATOM 662 C THR A 44 -7.071 0.233 2.204 1.00 0.00 C ATOM 663 O THR A 44 -6.074 0.844 2.592 1.00 0.00 O ATOM 664 CB THR A 44 -8.690 -1.058 3.604 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.413 -0.527 4.887 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.370 -2.397 3.799 1.00 0.00 C ATOM 0 H THR A 44 -6.181 -1.202 4.462 1.00 0.00 H new ATOM 0 HA THR A 44 -7.577 -1.823 1.929 1.00 0.00 H new ATOM 0 HB THR A 44 -9.360 -0.407 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.242 -0.479 5.407 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.268 -2.265 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.643 -2.811 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.689 -3.080 4.307 1.00 0.00 H new ATOM 674 N GLN A 45 -7.906 0.717 1.289 1.00 0.00 N ATOM 675 CA GLN A 45 -7.696 2.023 0.673 1.00 0.00 C ATOM 676 C GLN A 45 -7.999 3.144 1.662 1.00 0.00 C ATOM 677 O GLN A 45 -7.405 4.220 1.595 1.00 0.00 O ATOM 678 CB GLN A 45 -8.575 2.174 -0.570 1.00 0.00 C ATOM 679 CG GLN A 45 -10.063 2.056 -0.281 1.00 0.00 C ATOM 680 CD GLN A 45 -10.847 1.529 -1.467 1.00 0.00 C ATOM 681 OE1 GLN A 45 -11.152 0.339 -1.543 1.00 0.00 O ATOM 682 NE2 GLN A 45 -11.177 2.415 -2.399 1.00 0.00 N ATOM 0 H GLN A 45 -8.735 0.224 0.958 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.649 2.093 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.378 3.143 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.293 1.414 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.212 1.394 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.453 3.034 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.903 3.392 -2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.705 2.119 -3.220 1.00 0.00 H new ATOM 691 N GLU A 46 -8.924 2.885 2.581 1.00 0.00 N ATOM 692 CA GLU A 46 -9.303 3.873 3.586 1.00 0.00 C ATOM 693 C GLU A 46 -8.074 4.386 4.330 1.00 0.00 C ATOM 694 O GLU A 46 -7.968 5.575 4.628 1.00 0.00 O ATOM 695 CB GLU A 46 -10.299 3.268 4.577 1.00 0.00 C ATOM 696 CG GLU A 46 -11.377 4.242 5.026 1.00 0.00 C ATOM 697 CD GLU A 46 -11.130 4.783 6.421 1.00 0.00 C ATOM 698 OE1 GLU A 46 -10.351 5.749 6.552 1.00 0.00 O ATOM 699 OE2 GLU A 46 -11.718 4.240 7.381 1.00 0.00 O ATOM 0 H GLU A 46 -9.425 1.999 2.651 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.775 4.713 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.773 2.400 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.757 2.910 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.427 5.073 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.346 3.743 5.000 1.00 0.00 H new ATOM 706 N ALA A 47 -7.146 3.481 4.622 1.00 0.00 N ATOM 707 CA ALA A 47 -5.921 3.842 5.324 1.00 0.00 C ATOM 708 C ALA A 47 -4.925 4.503 4.378 1.00 0.00 C ATOM 709 O ALA A 47 -4.094 5.309 4.799 1.00 0.00 O ATOM 710 CB ALA A 47 -5.302 2.612 5.972 1.00 0.00 C ATOM 0 H ALA A 47 -7.219 2.492 4.383 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.174 4.560 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.388 2.896 6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.007 2.182 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.068 1.875 5.204 1.00 0.00 H new ATOM 716 N CYS A 48 -5.014 4.158 3.096 1.00 0.00 N ATOM 717 CA CYS A 48 -4.122 4.718 2.087 1.00 0.00 C ATOM 718 C CYS A 48 -4.218 6.240 2.057 1.00 0.00 C ATOM 719 O CYS A 48 -3.204 6.937 2.107 1.00 0.00 O ATOM 720 CB CYS A 48 -4.462 4.146 0.708 1.00 0.00 C ATOM 721 SG CYS A 48 -3.406 4.771 -0.641 1.00 0.00 S ATOM 0 H CYS A 48 -5.696 3.492 2.732 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.100 4.444 2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.378 3.060 0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.502 4.377 0.477 1.00 0.00 H new ATOM 726 N MET A 49 -5.443 6.751 1.973 1.00 0.00 N ATOM 727 CA MET A 49 -5.667 8.191 1.932 1.00 0.00 C ATOM 728 C MET A 49 -5.737 8.780 3.338 1.00 0.00 C ATOM 729 O MET A 49 -5.333 9.921 3.563 1.00 0.00 O ATOM 730 CB MET A 49 -6.957 8.504 1.171 1.00 0.00 C ATOM 731 CG MET A 49 -7.025 7.859 -0.203 1.00 0.00 C ATOM 732 SD MET A 49 -8.701 7.374 -0.662 1.00 0.00 S ATOM 733 CE MET A 49 -9.575 8.921 -0.437 1.00 0.00 C ATOM 0 H MET A 49 -6.294 6.190 1.932 1.00 0.00 H new ATOM 0 HA MET A 49 -4.823 8.647 1.413 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.809 8.169 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.051 9.584 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.636 8.555 -0.946 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.379 6.981 -0.220 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.575 8.839 -0.863 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.651 9.144 0.627 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.031 9.722 -0.938 1.00 0.00 H new ATOM 743 N LYS A 50 -6.255 8.001 4.278 1.00 0.00 N ATOM 744 CA LYS A 50 -6.382 8.451 5.660 1.00 0.00 C ATOM 745 C LYS A 50 -5.019 8.541 6.349 1.00 0.00 C ATOM 746 O LYS A 50 -4.911 9.068 7.456 1.00 0.00 O ATOM 747 CB LYS A 50 -7.296 7.505 6.440 1.00 0.00 C ATOM 748 CG LYS A 50 -7.626 7.988 7.843 1.00 0.00 C ATOM 749 CD LYS A 50 -8.284 6.896 8.670 1.00 0.00 C ATOM 750 CE LYS A 50 -7.290 6.229 9.605 1.00 0.00 C ATOM 751 NZ LYS A 50 -7.714 4.852 9.979 1.00 0.00 N ATOM 0 H LYS A 50 -6.595 7.054 4.110 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.819 9.449 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.224 7.371 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.820 6.527 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.714 8.320 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.289 8.851 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.102 7.322 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.719 6.148 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.312 6.190 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.179 6.832 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.008 4.433 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.636 4.891 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.795 4.269 9.122 1.00 0.00 H new ATOM 765 N ARG A 51 -3.981 8.020 5.700 1.00 0.00 N ATOM 766 CA ARG A 51 -2.641 8.044 6.277 1.00 0.00 C ATOM 767 C ARG A 51 -1.726 9.028 5.552 1.00 0.00 C ATOM 768 O ARG A 51 -0.835 9.618 6.163 1.00 0.00 O ATOM 769 CB ARG A 51 -2.028 6.642 6.242 1.00 0.00 C ATOM 770 CG ARG A 51 -0.743 6.520 7.047 1.00 0.00 C ATOM 771 CD ARG A 51 -1.017 6.552 8.542 1.00 0.00 C ATOM 772 NE ARG A 51 -1.811 5.404 8.978 1.00 0.00 N ATOM 773 CZ ARG A 51 -1.894 4.999 10.243 1.00 0.00 C ATOM 774 NH1 ARG A 51 -1.233 5.641 11.199 1.00 0.00 N ATOM 775 NH2 ARG A 51 -2.642 3.948 10.554 1.00 0.00 N ATOM 0 H ARG A 51 -4.041 7.580 4.782 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.735 8.377 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.756 5.926 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.826 6.369 5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.237 5.590 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.068 7.334 6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.071 6.565 9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.542 7.473 8.795 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.331 4.884 8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.657 6.450 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.301 5.325 12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.153 3.451 9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.706 3.637 11.523 1.00 0.00 H new ATOM 789 N CYS A 52 -1.933 9.194 4.247 1.00 0.00 N ATOM 790 CA CYS A 52 -1.100 10.101 3.460 1.00 0.00 C ATOM 791 C CYS A 52 -1.915 11.235 2.837 1.00 0.00 C ATOM 792 O CYS A 52 -1.388 12.317 2.583 1.00 0.00 O ATOM 793 CB CYS A 52 -0.366 9.325 2.363 1.00 0.00 C ATOM 794 SG CYS A 52 1.442 9.558 2.371 1.00 0.00 S ATOM 0 H CYS A 52 -2.663 8.718 3.717 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.376 10.549 4.140 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.585 8.263 2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.757 9.631 1.393 1.00 0.00 H new ATOM 799 N ALA A 53 -3.197 10.987 2.588 1.00 0.00 N ATOM 800 CA ALA A 53 -4.062 11.998 1.990 1.00 0.00 C ATOM 801 C ALA A 53 -4.660 12.913 3.053 1.00 0.00 C ATOM 802 O ALA A 53 -4.967 14.075 2.784 1.00 0.00 O ATOM 803 CB ALA A 53 -5.165 11.343 1.172 1.00 0.00 C ATOM 0 H ALA A 53 -3.658 10.100 2.790 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.451 12.609 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.800 12.113 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.721 10.743 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.765 10.702 1.818 1.00 0.00 H new ATOM 809 N LYS A 54 -4.820 12.386 4.262 1.00 0.00 N ATOM 810 CA LYS A 54 -5.380 13.161 5.362 1.00 0.00 C ATOM 811 C LYS A 54 -4.306 13.493 6.393 1.00 0.00 C ATOM 812 O LYS A 54 -3.966 14.659 6.596 1.00 0.00 O ATOM 813 CB LYS A 54 -6.527 12.395 6.024 1.00 0.00 C ATOM 814 CG LYS A 54 -7.903 12.944 5.681 1.00 0.00 C ATOM 815 CD LYS A 54 -8.941 11.835 5.589 1.00 0.00 C ATOM 816 CE LYS A 54 -9.924 11.891 6.748 1.00 0.00 C ATOM 817 NZ LYS A 54 -10.322 10.532 7.205 1.00 0.00 N ATOM 0 H LYS A 54 -4.570 11.427 4.504 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.768 14.095 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.477 11.349 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.394 12.421 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.207 13.666 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.856 13.479 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.483 11.920 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.440 10.867 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.475 12.436 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.812 12.446 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.352 10.501 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.050 9.831 6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.842 10.313 8.101 1.00 0.00 H new ATOM 831 N ALA A 55 -3.778 12.461 7.042 1.00 0.00 N ATOM 832 CA ALA A 55 -2.743 12.643 8.053 1.00 0.00 C ATOM 833 C ALA A 55 -1.512 13.319 7.462 1.00 0.00 C ATOM 834 O ALA A 55 -0.765 12.646 6.721 1.00 0.00 O ATOM 835 CB ALA A 55 -2.367 11.303 8.669 1.00 0.00 C ATOM 836 OXT ALA A 55 -1.303 14.518 7.743 1.00 0.00 O ATOM 0 H ALA A 55 -4.050 11.490 6.886 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.141 13.291 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.593 11.453 9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.246 10.857 9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.992 10.637 7.891 1.00 0.00 H new