USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.000104 K(o=-0.0001,f=-16!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -169:sc= -4.42! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD Single : A 44 ASN : amide:sc= -2.32! C(o=-2.3!,f=-6.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 102:sc= 0.291 USER MOD Single : A 54 THR OG1 : rot 126:sc= 0.741 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 -7.025 -11.636 0.127 1.00 0.00 N ATOM 28 CA PRO A 2 -8.275 -10.872 0.077 1.00 0.00 C ATOM 29 C PRO A 2 -8.494 -10.209 -1.279 1.00 0.00 C ATOM 30 O PRO A 2 -7.543 -9.827 -1.959 1.00 0.00 O ATOM 31 CB PRO A 2 -8.104 -9.805 1.157 1.00 0.00 C ATOM 32 CG PRO A 2 -7.022 -10.301 2.052 1.00 0.00 C ATOM 33 CD PRO A 2 -6.135 -11.178 1.210 1.00 0.00 C ATOM 0 HA PRO A 2 -9.140 -11.517 0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.838 -8.844 0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.031 -9.657 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.457 -9.470 2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.438 -10.861 2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.280 -10.626 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.738 -12.016 1.784 1.00 0.00 H new ATOM 41 N ASP A 3 -9.755 -10.079 -1.668 1.00 0.00 N ATOM 42 CA ASP A 3 -10.102 -9.470 -2.947 1.00 0.00 C ATOM 43 C ASP A 3 -9.512 -8.065 -3.089 1.00 0.00 C ATOM 44 O ASP A 3 -8.954 -7.725 -4.131 1.00 0.00 O ATOM 45 CB ASP A 3 -11.623 -9.413 -3.107 1.00 0.00 C ATOM 46 CG ASP A 3 -12.265 -10.784 -3.015 1.00 0.00 C ATOM 47 OD1 ASP A 3 -12.070 -11.594 -3.945 1.00 0.00 O ATOM 48 OD2 ASP A 3 -12.963 -11.046 -2.013 1.00 0.00 O ATOM 0 H ASP A 3 -10.556 -10.387 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.674 -10.092 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.043 -8.766 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.868 -8.964 -4.069 1.00 0.00 H new ATOM 53 N PHE A 4 -9.655 -7.246 -2.049 1.00 0.00 N ATOM 54 CA PHE A 4 -9.158 -5.881 -2.081 1.00 0.00 C ATOM 55 C PHE A 4 -7.670 -5.810 -2.414 1.00 0.00 C ATOM 56 O PHE A 4 -7.191 -4.786 -2.898 1.00 0.00 O ATOM 57 CB PHE A 4 -9.438 -5.188 -0.747 1.00 0.00 C ATOM 58 CG PHE A 4 -8.645 -5.721 0.415 1.00 0.00 C ATOM 59 CD1 PHE A 4 -7.286 -5.458 0.538 1.00 0.00 C ATOM 60 CD2 PHE A 4 -9.267 -6.480 1.390 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.568 -5.950 1.616 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.555 -6.971 2.465 1.00 0.00 C ATOM 63 CZ PHE A 4 -7.207 -6.707 2.579 1.00 0.00 C ATOM 0 H PHE A 4 -10.112 -7.508 -1.176 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.689 -5.362 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.229 -4.124 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.500 -5.283 -0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.785 -4.865 -0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.323 -6.691 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.512 -5.742 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.054 -7.563 3.218 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.650 -7.092 3.421 1.00 0.00 H new ATOM 73 N CYS A 5 -6.934 -6.891 -2.171 1.00 0.00 N ATOM 74 CA CYS A 5 -5.504 -6.900 -2.469 1.00 0.00 C ATOM 75 C CYS A 5 -5.249 -6.593 -3.943 1.00 0.00 C ATOM 76 O CYS A 5 -4.150 -6.185 -4.320 1.00 0.00 O ATOM 77 CB CYS A 5 -4.875 -8.243 -2.099 1.00 0.00 C ATOM 78 SG CYS A 5 -4.485 -8.409 -0.329 1.00 0.00 S ATOM 0 H CYS A 5 -7.296 -7.759 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.039 -6.120 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.555 -9.044 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.961 -8.377 -2.677 1.00 0.00 H new ATOM 83 N LEU A 6 -6.270 -6.786 -4.775 1.00 0.00 N ATOM 84 CA LEU A 6 -6.154 -6.527 -6.206 1.00 0.00 C ATOM 85 C LEU A 6 -6.470 -5.069 -6.543 1.00 0.00 C ATOM 86 O LEU A 6 -6.807 -4.752 -7.684 1.00 0.00 O ATOM 87 CB LEU A 6 -7.089 -7.454 -6.988 1.00 0.00 C ATOM 88 CG LEU A 6 -7.064 -8.921 -6.554 1.00 0.00 C ATOM 89 CD1 LEU A 6 -8.431 -9.561 -6.748 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.999 -9.686 -7.327 1.00 0.00 C ATOM 0 H LEU A 6 -7.187 -7.121 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.121 -6.723 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.109 -7.081 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.828 -7.400 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.816 -8.962 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.392 -10.604 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.170 -9.029 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.711 -9.509 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.994 -10.728 -7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.217 -9.636 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.022 -9.243 -7.135 1.00 0.00 H new ATOM 102 N GLU A 7 -6.359 -4.181 -5.556 1.00 0.00 N ATOM 103 CA GLU A 7 -6.634 -2.765 -5.776 1.00 0.00 C ATOM 104 C GLU A 7 -5.334 -1.982 -5.968 1.00 0.00 C ATOM 105 O GLU A 7 -4.281 -2.384 -5.476 1.00 0.00 O ATOM 106 CB GLU A 7 -7.444 -2.182 -4.609 1.00 0.00 C ATOM 107 CG GLU A 7 -6.637 -1.954 -3.337 1.00 0.00 C ATOM 108 CD GLU A 7 -6.818 -0.558 -2.769 1.00 0.00 C ATOM 109 OE1 GLU A 7 -7.779 0.129 -3.176 1.00 0.00 O ATOM 110 OE2 GLU A 7 -6.002 -0.155 -1.914 1.00 0.00 O ATOM 0 H GLU A 7 -6.082 -4.416 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.226 -2.674 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.881 -1.234 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.271 -2.855 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.933 -2.688 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.581 -2.122 -3.547 1.00 0.00 H new ATOM 117 N PRO A 8 -5.395 -0.849 -6.689 1.00 0.00 N ATOM 118 CA PRO A 8 -4.219 -0.011 -6.944 1.00 0.00 C ATOM 119 C PRO A 8 -3.827 0.833 -5.733 1.00 0.00 C ATOM 120 O PRO A 8 -4.680 1.220 -4.935 1.00 0.00 O ATOM 121 CB PRO A 8 -4.675 0.884 -8.095 1.00 0.00 C ATOM 122 CG PRO A 8 -6.150 1.008 -7.913 1.00 0.00 C ATOM 123 CD PRO A 8 -6.614 -0.293 -7.311 1.00 0.00 C ATOM 0 HA PRO A 8 -3.334 -0.606 -7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.188 1.858 -8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.430 0.443 -9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.392 1.846 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.645 1.193 -8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.402 -0.134 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.017 -0.964 -8.070 1.00 0.00 H new ATOM 131 N PRO A 9 -2.523 1.136 -5.581 1.00 0.00 N ATOM 132 CA PRO A 9 -2.023 1.942 -4.458 1.00 0.00 C ATOM 133 C PRO A 9 -2.519 3.383 -4.518 1.00 0.00 C ATOM 134 O PRO A 9 -2.349 4.066 -5.526 1.00 0.00 O ATOM 135 CB PRO A 9 -0.503 1.893 -4.632 1.00 0.00 C ATOM 136 CG PRO A 9 -0.300 1.625 -6.082 1.00 0.00 C ATOM 137 CD PRO A 9 -1.431 0.722 -6.485 1.00 0.00 C ATOM 0 HA PRO A 9 -2.366 1.560 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.039 2.833 -4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.059 1.110 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.312 2.550 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.665 1.150 -6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.701 0.856 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.175 -0.329 -6.354 1.00 0.00 H new ATOM 145 N TYR A 10 -3.135 3.838 -3.431 1.00 0.00 N ATOM 146 CA TYR A 10 -3.661 5.199 -3.361 1.00 0.00 C ATOM 147 C TYR A 10 -2.662 6.139 -2.691 1.00 0.00 C ATOM 148 O TYR A 10 -2.251 5.917 -1.552 1.00 0.00 O ATOM 149 CB TYR A 10 -4.985 5.211 -2.599 1.00 0.00 C ATOM 150 CG TYR A 10 -5.843 6.420 -2.900 1.00 0.00 C ATOM 151 CD1 TYR A 10 -6.378 6.616 -4.167 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.110 7.367 -1.920 1.00 0.00 C ATOM 153 CE1 TYR A 10 -7.155 7.724 -4.449 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.886 8.477 -2.194 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.406 8.651 -3.460 1.00 0.00 C ATOM 156 OH TYR A 10 -8.179 9.755 -3.736 1.00 0.00 O ATOM 0 H TYR A 10 -3.283 3.285 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.830 5.551 -4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.544 4.308 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.780 5.178 -1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.184 5.891 -4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.705 7.234 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.563 7.863 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.084 9.205 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.260 10.308 -2.931 1.00 0.00 H new ATOM 166 N THR A 11 -2.277 7.188 -3.410 1.00 0.00 N ATOM 167 CA THR A 11 -1.322 8.171 -2.905 1.00 0.00 C ATOM 168 C THR A 11 -2.016 9.498 -2.592 1.00 0.00 C ATOM 169 O THR A 11 -1.520 10.296 -1.797 1.00 0.00 O ATOM 170 CB THR A 11 -0.222 8.391 -3.947 1.00 0.00 C ATOM 171 OG1 THR A 11 0.480 7.187 -4.194 1.00 0.00 O ATOM 172 CG2 THR A 11 0.797 9.437 -3.549 1.00 0.00 C ATOM 0 H THR A 11 -2.615 7.381 -4.353 1.00 0.00 H new ATOM 0 HA THR A 11 -0.885 7.791 -1.982 1.00 0.00 H new ATOM 0 HB THR A 11 -0.744 8.742 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.178 7.347 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.543 9.536 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.297 10.394 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.286 9.135 -2.623 1.00 0.00 H new ATOM 180 N GLY A 12 -3.168 9.725 -3.219 1.00 0.00 N ATOM 181 CA GLY A 12 -3.910 10.936 -2.995 1.00 0.00 C ATOM 182 C GLY A 12 -3.220 12.169 -3.551 1.00 0.00 C ATOM 183 O GLY A 12 -2.023 12.137 -3.841 1.00 0.00 O ATOM 0 H GLY A 12 -3.597 9.080 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.895 10.841 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.066 11.066 -1.924 1.00 0.00 H new ATOM 187 N PRO A 13 -3.963 13.278 -3.731 1.00 0.00 N ATOM 188 CA PRO A 13 -3.414 14.521 -4.274 1.00 0.00 C ATOM 189 C PRO A 13 -2.770 15.415 -3.215 1.00 0.00 C ATOM 190 O PRO A 13 -2.481 16.583 -3.475 1.00 0.00 O ATOM 191 CB PRO A 13 -4.654 15.197 -4.855 1.00 0.00 C ATOM 192 CG PRO A 13 -5.765 14.774 -3.954 1.00 0.00 C ATOM 193 CD PRO A 13 -5.404 13.402 -3.434 1.00 0.00 C ATOM 0 HA PRO A 13 -2.613 14.335 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.545 16.281 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.834 14.881 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.887 15.480 -3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.712 14.747 -4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.601 13.315 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.983 12.622 -3.929 1.00 0.00 H new ATOM 201 N CYS A 14 -2.547 14.867 -2.027 1.00 0.00 N ATOM 202 CA CYS A 14 -1.934 15.626 -0.943 1.00 0.00 C ATOM 203 C CYS A 14 -0.476 15.937 -1.246 1.00 0.00 C ATOM 204 O CYS A 14 0.061 15.523 -2.275 1.00 0.00 O ATOM 205 CB CYS A 14 -2.059 14.861 0.373 1.00 0.00 C ATOM 206 SG CYS A 14 -3.611 15.186 1.266 1.00 0.00 S ATOM 0 H CYS A 14 -2.780 13.903 -1.790 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.464 16.574 -0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.984 13.793 0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.219 15.123 1.016 1.00 0.00 H new ATOM 211 N ARG A 15 0.148 16.697 -0.358 1.00 0.00 N ATOM 212 CA ARG A 15 1.541 17.102 -0.533 1.00 0.00 C ATOM 213 C ARG A 15 2.447 16.546 0.568 1.00 0.00 C ATOM 214 O ARG A 15 3.222 17.286 1.176 1.00 0.00 O ATOM 215 CB ARG A 15 1.637 18.629 -0.563 1.00 0.00 C ATOM 216 CG ARG A 15 2.620 19.159 -1.594 1.00 0.00 C ATOM 217 CD ARG A 15 2.983 20.610 -1.321 1.00 0.00 C ATOM 218 NE ARG A 15 4.154 20.727 -0.452 1.00 0.00 N ATOM 219 CZ ARG A 15 4.129 21.244 0.777 1.00 0.00 C ATOM 220 NH1 ARG A 15 2.995 21.697 1.301 1.00 0.00 N ATOM 221 NH2 ARG A 15 5.247 21.309 1.488 1.00 0.00 N ATOM 0 H ARG A 15 -0.287 17.048 0.495 1.00 0.00 H new ATOM 0 HA ARG A 15 1.886 16.689 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.650 19.042 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.932 18.985 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.523 18.549 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.187 19.072 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.180 21.118 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.135 21.115 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 15 5.048 20.391 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.130 21.652 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.989 22.090 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.123 20.964 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.231 21.704 2.428 1.00 0.00 H new ATOM 235 N VAL A 16 2.362 15.241 0.807 1.00 0.00 N ATOM 236 CA VAL A 16 3.192 14.594 1.825 1.00 0.00 C ATOM 237 C VAL A 16 4.153 13.590 1.176 1.00 0.00 C ATOM 238 O VAL A 16 4.144 13.411 -0.042 1.00 0.00 O ATOM 239 CB VAL A 16 2.338 13.867 2.893 1.00 0.00 C ATOM 240 CG1 VAL A 16 3.110 13.745 4.199 1.00 0.00 C ATOM 241 CG2 VAL A 16 1.013 14.586 3.130 1.00 0.00 C ATOM 0 H VAL A 16 1.730 14.610 0.313 1.00 0.00 H new ATOM 0 HA VAL A 16 3.760 15.382 2.320 1.00 0.00 H new ATOM 0 HB VAL A 16 2.117 12.868 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.495 13.232 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.024 13.176 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.364 14.740 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.438 14.050 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.207 15.602 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.446 14.621 2.199 1.00 0.00 H new ATOM 251 N ARG A 17 4.990 12.950 1.993 1.00 0.00 N ATOM 252 CA ARG A 17 5.957 11.970 1.498 1.00 0.00 C ATOM 253 C ARG A 17 6.043 10.782 2.452 1.00 0.00 C ATOM 254 O ARG A 17 6.985 10.665 3.235 1.00 0.00 O ATOM 255 CB ARG A 17 7.337 12.612 1.334 1.00 0.00 C ATOM 256 CG ARG A 17 8.353 11.702 0.660 1.00 0.00 C ATOM 257 CD ARG A 17 9.745 11.889 1.243 1.00 0.00 C ATOM 258 NE ARG A 17 10.616 10.751 0.959 1.00 0.00 N ATOM 259 CZ ARG A 17 11.861 10.637 1.415 1.00 0.00 C ATOM 260 NH1 ARG A 17 12.386 11.589 2.177 1.00 0.00 N ATOM 261 NH2 ARG A 17 12.585 9.568 1.109 1.00 0.00 N ATOM 0 H ARG A 17 5.018 13.093 3.003 1.00 0.00 H new ATOM 0 HA ARG A 17 5.619 11.616 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.236 13.527 0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.714 12.900 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.046 10.663 0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.375 11.910 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.190 12.796 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.670 12.028 2.322 1.00 0.00 H new ATOM 0 HE ARG A 17 10.248 9.999 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.835 12.413 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.341 11.496 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.187 8.833 0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.539 9.481 1.459 1.00 0.00 H new ATOM 275 N ILE A 18 5.049 9.904 2.372 1.00 0.00 N ATOM 276 CA ILE A 18 4.984 8.723 3.223 1.00 0.00 C ATOM 277 C ILE A 18 5.313 7.458 2.435 1.00 0.00 C ATOM 278 O ILE A 18 4.601 7.092 1.503 1.00 0.00 O ATOM 279 CB ILE A 18 3.574 8.587 3.848 1.00 0.00 C ATOM 280 CG1 ILE A 18 3.271 9.794 4.742 1.00 0.00 C ATOM 281 CG2 ILE A 18 3.434 7.292 4.637 1.00 0.00 C ATOM 282 CD1 ILE A 18 1.981 9.663 5.529 1.00 0.00 C ATOM 0 H ILE A 18 4.270 9.991 1.719 1.00 0.00 H new ATOM 0 HA ILE A 18 5.723 8.844 4.015 1.00 0.00 H new ATOM 0 HB ILE A 18 2.850 8.558 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.098 9.936 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.219 10.689 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.432 7.231 5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.600 6.443 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.170 7.274 5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.834 10.555 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.144 9.553 4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.037 8.787 6.176 1.00 0.00 H new ATOM 294 N ILE A 19 6.392 6.788 2.820 1.00 0.00 N ATOM 295 CA ILE A 19 6.798 5.561 2.161 1.00 0.00 C ATOM 296 C ILE A 19 5.933 4.405 2.647 1.00 0.00 C ATOM 297 O ILE A 19 6.304 3.685 3.575 1.00 0.00 O ATOM 298 CB ILE A 19 8.282 5.249 2.442 1.00 0.00 C ATOM 299 CG1 ILE A 19 9.168 6.407 1.982 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.702 3.952 1.762 1.00 0.00 C ATOM 301 CD1 ILE A 19 9.090 6.676 0.496 1.00 0.00 C ATOM 0 H ILE A 19 7.000 7.077 3.586 1.00 0.00 H new ATOM 0 HA ILE A 19 6.669 5.691 1.086 1.00 0.00 H new ATOM 0 HB ILE A 19 8.406 5.124 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.881 7.310 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.202 6.191 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.752 3.753 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.094 3.130 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.561 4.044 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.744 7.510 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.406 5.788 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.064 6.924 0.225 1.00 0.00 H new ATOM 313 N ARG A 20 4.772 4.242 2.025 1.00 0.00 N ATOM 314 CA ARG A 20 3.847 3.179 2.409 1.00 0.00 C ATOM 315 C ARG A 20 4.074 1.922 1.584 1.00 0.00 C ATOM 316 O ARG A 20 4.849 1.925 0.631 1.00 0.00 O ATOM 317 CB ARG A 20 2.395 3.641 2.259 1.00 0.00 C ATOM 318 CG ARG A 20 1.986 4.732 3.238 1.00 0.00 C ATOM 319 CD ARG A 20 2.195 4.305 4.687 1.00 0.00 C ATOM 320 NE ARG A 20 1.029 3.618 5.233 1.00 0.00 N ATOM 321 CZ ARG A 20 0.064 4.221 5.928 1.00 0.00 C ATOM 322 NH1 ARG A 20 0.099 5.531 6.136 1.00 0.00 N ATOM 323 NH2 ARG A 20 -0.946 3.510 6.411 1.00 0.00 N ATOM 0 H ARG A 20 4.448 4.828 1.256 1.00 0.00 H new ATOM 0 HA ARG A 20 4.039 2.944 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.244 4.004 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.736 2.783 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.565 5.634 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.937 4.985 3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.063 3.649 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.415 5.183 5.295 1.00 0.00 H new ATOM 0 HE ARG A 20 0.947 2.614 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.869 6.086 5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.644 5.983 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.984 2.503 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.685 3.970 6.943 1.00 0.00 H new ATOM 337 N TYR A 21 3.395 0.845 1.972 1.00 0.00 N ATOM 338 CA TYR A 21 3.519 -0.433 1.289 1.00 0.00 C ATOM 339 C TYR A 21 2.184 -0.865 0.685 1.00 0.00 C ATOM 340 O TYR A 21 1.120 -0.521 1.201 1.00 0.00 O ATOM 341 CB TYR A 21 3.979 -1.495 2.284 1.00 0.00 C ATOM 342 CG TYR A 21 5.370 -1.275 2.831 1.00 0.00 C ATOM 343 CD1 TYR A 21 6.485 -1.797 2.186 1.00 0.00 C ATOM 344 CD2 TYR A 21 5.566 -0.555 4.001 1.00 0.00 C ATOM 345 CE1 TYR A 21 7.755 -1.607 2.694 1.00 0.00 C ATOM 346 CE2 TYR A 21 6.832 -0.357 4.513 1.00 0.00 C ATOM 347 CZ TYR A 21 7.924 -0.885 3.858 1.00 0.00 C ATOM 348 OH TYR A 21 9.188 -0.693 4.367 1.00 0.00 O ATOM 0 H TYR A 21 2.750 0.836 2.762 1.00 0.00 H new ATOM 0 HA TYR A 21 4.247 -0.322 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.275 -1.526 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.942 -2.470 1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.356 -2.360 1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.713 -0.143 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.612 -2.021 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.967 0.209 5.423 1.00 0.00 H new ATOM 0 HH TYR A 21 9.132 -0.163 5.190 1.00 0.00 H new ATOM 358 N PHE A 22 2.248 -1.647 -0.387 1.00 0.00 N ATOM 359 CA PHE A 22 1.044 -2.158 -1.037 1.00 0.00 C ATOM 360 C PHE A 22 1.340 -3.464 -1.752 1.00 0.00 C ATOM 361 O PHE A 22 2.488 -3.887 -1.841 1.00 0.00 O ATOM 362 CB PHE A 22 0.457 -1.144 -2.018 1.00 0.00 C ATOM 363 CG PHE A 22 1.148 -1.102 -3.353 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.364 -0.453 -3.501 1.00 0.00 C ATOM 365 CD2 PHE A 22 0.580 -1.718 -4.458 1.00 0.00 C ATOM 366 CE1 PHE A 22 3.001 -0.418 -4.728 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.211 -1.686 -5.689 1.00 0.00 C ATOM 368 CZ PHE A 22 2.424 -1.035 -5.823 1.00 0.00 C ATOM 0 H PHE A 22 3.121 -1.942 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 22 0.303 -2.337 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.597 -1.376 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.502 -0.152 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.819 0.030 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.366 -2.229 -4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.948 0.091 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.758 -2.168 -6.543 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.920 -1.009 -6.782 1.00 0.00 H new ATOM 378 N TYR A 23 0.294 -4.092 -2.264 1.00 0.00 N ATOM 379 CA TYR A 23 0.430 -5.365 -2.975 1.00 0.00 C ATOM 380 C TYR A 23 0.447 -5.165 -4.489 1.00 0.00 C ATOM 381 O TYR A 23 -0.603 -5.103 -5.127 1.00 0.00 O ATOM 382 CB TYR A 23 -0.721 -6.298 -2.595 1.00 0.00 C ATOM 383 CG TYR A 23 -0.603 -7.670 -3.216 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.423 -8.531 -2.848 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.509 -8.099 -4.176 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.540 -9.783 -3.420 1.00 0.00 C ATOM 387 CE2 TYR A 23 -1.397 -9.349 -4.753 1.00 0.00 C ATOM 388 CZ TYR A 23 -0.371 -10.187 -4.372 1.00 0.00 C ATOM 389 OH TYR A 23 -0.255 -11.432 -4.945 1.00 0.00 O ATOM 0 H TYR A 23 -0.663 -3.745 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 23 1.381 -5.810 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.756 -6.399 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.664 -5.846 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.140 -8.217 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.314 -7.445 -4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.342 -10.442 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.110 -9.668 -5.499 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.977 -11.561 -5.595 1.00 0.00 H new ATOM 399 N ASN A 24 1.646 -5.088 -5.062 1.00 0.00 N ATOM 400 CA ASN A 24 1.797 -4.915 -6.497 1.00 0.00 C ATOM 401 C ASN A 24 1.316 -6.162 -7.238 1.00 0.00 C ATOM 402 O ASN A 24 1.798 -7.268 -6.990 1.00 0.00 O ATOM 403 CB ASN A 24 3.264 -4.625 -6.815 1.00 0.00 C ATOM 404 CG ASN A 24 3.499 -4.301 -8.278 1.00 0.00 C ATOM 405 OD1 ASN A 24 3.586 -5.196 -9.116 1.00 0.00 O ATOM 406 ND2 ASN A 24 3.610 -3.017 -8.593 1.00 0.00 N ATOM 0 H ASN A 24 2.526 -5.143 -4.550 1.00 0.00 H new ATOM 0 HA ASN A 24 1.187 -4.075 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.604 -3.789 -6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.868 -5.489 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.774 -2.742 -9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.532 -2.305 -7.867 1.00 0.00 H new ATOM 413 N ALA A 25 0.348 -5.981 -8.136 1.00 0.00 N ATOM 414 CA ALA A 25 -0.212 -7.096 -8.900 1.00 0.00 C ATOM 415 C ALA A 25 0.617 -7.415 -10.144 1.00 0.00 C ATOM 416 O ALA A 25 0.168 -8.147 -11.026 1.00 0.00 O ATOM 417 CB ALA A 25 -1.650 -6.793 -9.289 1.00 0.00 C ATOM 0 H ALA A 25 -0.065 -5.074 -8.352 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.188 -7.977 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.057 -7.629 -9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.246 -6.641 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.679 -5.891 -9.900 1.00 0.00 H new ATOM 423 N LYS A 26 1.832 -6.882 -10.200 1.00 0.00 N ATOM 424 CA LYS A 26 2.732 -7.124 -11.322 1.00 0.00 C ATOM 425 C LYS A 26 3.879 -8.009 -10.859 1.00 0.00 C ATOM 426 O LYS A 26 4.289 -8.939 -11.552 1.00 0.00 O ATOM 427 CB LYS A 26 3.273 -5.801 -11.872 1.00 0.00 C ATOM 428 CG LYS A 26 2.847 -5.519 -13.304 1.00 0.00 C ATOM 429 CD LYS A 26 4.014 -5.039 -14.151 1.00 0.00 C ATOM 430 CE LYS A 26 3.550 -4.119 -15.268 1.00 0.00 C ATOM 431 NZ LYS A 26 4.476 -4.151 -16.434 1.00 0.00 N ATOM 0 H LYS A 26 2.219 -6.276 -9.477 1.00 0.00 H new ATOM 0 HA LYS A 26 2.184 -7.624 -12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.934 -4.986 -11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.362 -5.814 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.425 -6.423 -13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.059 -4.765 -13.308 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.731 -4.514 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.533 -5.898 -14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.551 -4.413 -15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.476 -3.099 -14.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.125 -3.510 -17.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.424 -3.846 -16.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.527 -5.119 -16.810 1.00 0.00 H new ATOM 445 N ALA A 27 4.367 -7.719 -9.658 1.00 0.00 N ATOM 446 CA ALA A 27 5.445 -8.487 -9.058 1.00 0.00 C ATOM 447 C ALA A 27 4.892 -9.448 -8.008 1.00 0.00 C ATOM 448 O ALA A 27 5.621 -10.283 -7.472 1.00 0.00 O ATOM 449 CB ALA A 27 6.477 -7.555 -8.439 1.00 0.00 C ATOM 0 H ALA A 27 4.028 -6.951 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 27 5.932 -9.072 -9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.278 -8.144 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.890 -6.906 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.002 -6.947 -7.669 1.00 0.00 H new ATOM 455 N GLY A 28 3.592 -9.330 -7.723 1.00 0.00 N ATOM 456 CA GLY A 28 2.960 -10.192 -6.763 1.00 0.00 C ATOM 457 C GLY A 28 3.488 -10.029 -5.357 1.00 0.00 C ATOM 458 O GLY A 28 3.132 -10.786 -4.454 1.00 0.00 O ATOM 0 H GLY A 28 2.971 -8.643 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.888 -9.996 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.095 -11.228 -7.074 1.00 0.00 H new ATOM 462 N LEU A 29 4.340 -9.046 -5.183 1.00 0.00 N ATOM 463 CA LEU A 29 4.940 -8.766 -3.884 1.00 0.00 C ATOM 464 C LEU A 29 4.528 -7.388 -3.383 1.00 0.00 C ATOM 465 O LEU A 29 3.928 -6.603 -4.117 1.00 0.00 O ATOM 466 CB LEU A 29 6.465 -8.852 -3.972 1.00 0.00 C ATOM 467 CG LEU A 29 7.016 -10.185 -4.482 1.00 0.00 C ATOM 468 CD1 LEU A 29 8.531 -10.123 -4.601 1.00 0.00 C ATOM 469 CD2 LEU A 29 6.601 -11.322 -3.560 1.00 0.00 C ATOM 0 H LEU A 29 4.640 -8.417 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 29 4.581 -9.515 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.820 -8.056 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.881 -8.660 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 29 6.599 -10.374 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.907 -11.079 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.809 -9.334 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.964 -9.911 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.002 -12.262 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.990 -11.139 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.513 -11.381 -3.522 1.00 0.00 H new ATOM 481 N CYS A 30 4.855 -7.099 -2.130 1.00 0.00 N ATOM 482 CA CYS A 30 4.519 -5.822 -1.535 1.00 0.00 C ATOM 483 C CYS A 30 5.610 -4.792 -1.811 1.00 0.00 C ATOM 484 O CYS A 30 6.770 -4.989 -1.450 1.00 0.00 O ATOM 485 CB CYS A 30 4.312 -5.992 -0.033 1.00 0.00 C ATOM 486 SG CYS A 30 2.595 -6.382 0.442 1.00 0.00 S ATOM 0 H CYS A 30 5.354 -7.736 -1.509 1.00 0.00 H new ATOM 0 HA CYS A 30 3.594 -5.459 -1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.966 -6.787 0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.618 -5.075 0.471 1.00 0.00 H new ATOM 491 N GLN A 31 5.229 -3.694 -2.456 1.00 0.00 N ATOM 492 CA GLN A 31 6.177 -2.635 -2.782 1.00 0.00 C ATOM 493 C GLN A 31 5.833 -1.347 -2.045 1.00 0.00 C ATOM 494 O GLN A 31 4.744 -1.209 -1.487 1.00 0.00 O ATOM 495 CB GLN A 31 6.199 -2.382 -4.291 1.00 0.00 C ATOM 496 CG GLN A 31 6.367 -3.646 -5.121 1.00 0.00 C ATOM 497 CD GLN A 31 7.731 -3.741 -5.780 1.00 0.00 C ATOM 498 OE1 GLN A 31 8.535 -2.812 -5.711 1.00 0.00 O ATOM 499 NE2 GLN A 31 7.997 -4.871 -6.426 1.00 0.00 N ATOM 0 H GLN A 31 4.273 -3.515 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 31 7.166 -2.962 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.272 -1.888 -4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.012 -1.695 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.216 -4.517 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.595 -3.676 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.301 -5.616 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.897 -4.994 -6.890 1.00 0.00 H new ATOM 508 N THR A 32 6.770 -0.406 -2.054 1.00 0.00 N ATOM 509 CA THR A 32 6.575 0.873 -1.383 1.00 0.00 C ATOM 510 C THR A 32 6.261 1.991 -2.373 1.00 0.00 C ATOM 511 O THR A 32 6.464 1.843 -3.578 1.00 0.00 O ATOM 512 CB THR A 32 7.822 1.240 -0.578 1.00 0.00 C ATOM 513 OG1 THR A 32 8.894 1.570 -1.444 1.00 0.00 O ATOM 514 CG2 THR A 32 8.297 0.130 0.333 1.00 0.00 C ATOM 0 H THR A 32 7.673 -0.505 -2.519 1.00 0.00 H new ATOM 0 HA THR A 32 5.721 0.764 -0.714 1.00 0.00 H new ATOM 0 HB THR A 32 7.529 2.091 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.684 1.804 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.185 0.458 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.510 -0.119 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.539 -0.750 -0.262 1.00 0.00 H new ATOM 522 N PHE A 33 5.775 3.116 -1.849 1.00 0.00 N ATOM 523 CA PHE A 33 5.450 4.272 -2.683 1.00 0.00 C ATOM 524 C PHE A 33 5.388 5.551 -1.850 1.00 0.00 C ATOM 525 O PHE A 33 5.309 5.506 -0.618 1.00 0.00 O ATOM 526 CB PHE A 33 4.135 4.060 -3.440 1.00 0.00 C ATOM 527 CG PHE A 33 2.956 3.735 -2.565 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.963 2.616 -1.749 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.838 4.553 -2.564 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.878 2.321 -0.946 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.750 4.262 -1.764 1.00 0.00 C ATOM 532 CZ PHE A 33 0.771 3.144 -0.954 1.00 0.00 C ATOM 0 H PHE A 33 5.598 3.251 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 33 6.249 4.380 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.910 4.961 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.271 3.252 -4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.826 1.967 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.817 5.428 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.897 1.447 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.116 4.908 -1.772 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.078 2.914 -0.328 1.00 0.00 H new ATOM 542 N VAL A 34 5.447 6.688 -2.539 1.00 0.00 N ATOM 543 CA VAL A 34 5.421 7.994 -1.893 1.00 0.00 C ATOM 544 C VAL A 34 3.993 8.473 -1.665 1.00 0.00 C ATOM 545 O VAL A 34 3.514 9.387 -2.336 1.00 0.00 O ATOM 546 CB VAL A 34 6.179 9.041 -2.730 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.276 10.362 -1.980 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.562 8.528 -3.102 1.00 0.00 C ATOM 0 H VAL A 34 5.514 6.728 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 34 5.914 7.881 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 34 5.621 9.214 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.815 11.088 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.274 10.737 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.809 10.209 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.083 9.281 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.130 8.322 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.466 7.612 -3.685 1.00 0.00 H new ATOM 558 N TYR A 35 3.333 7.854 -0.699 1.00 0.00 N ATOM 559 CA TYR A 35 1.954 8.192 -0.348 1.00 0.00 C ATOM 560 C TYR A 35 1.881 9.616 0.220 1.00 0.00 C ATOM 561 O TYR A 35 2.777 10.046 0.938 1.00 0.00 O ATOM 562 CB TYR A 35 1.430 7.155 0.652 1.00 0.00 C ATOM 563 CG TYR A 35 0.199 7.572 1.405 1.00 0.00 C ATOM 564 CD1 TYR A 35 -0.849 8.181 0.763 1.00 0.00 C ATOM 565 CD2 TYR A 35 0.099 7.355 2.761 1.00 0.00 C ATOM 566 CE1 TYR A 35 -1.980 8.566 1.451 1.00 0.00 C ATOM 567 CE2 TYR A 35 -1.021 7.731 3.463 1.00 0.00 C ATOM 568 CZ TYR A 35 -2.060 8.337 2.802 1.00 0.00 C ATOM 569 OH TYR A 35 -3.186 8.717 3.500 1.00 0.00 O ATOM 0 H TYR A 35 3.733 7.104 -0.135 1.00 0.00 H new ATOM 0 HA TYR A 35 1.325 8.169 -1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.215 6.230 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.220 6.932 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.787 8.362 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.917 6.880 3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.797 9.044 0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.083 7.551 4.526 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.014 8.646 4.462 1.00 0.00 H new ATOM 579 N GLY A 36 0.829 10.363 -0.126 1.00 0.00 N ATOM 580 CA GLY A 36 0.725 11.736 0.342 1.00 0.00 C ATOM 581 C GLY A 36 -0.270 11.977 1.471 1.00 0.00 C ATOM 582 O GLY A 36 -0.705 13.103 1.665 1.00 0.00 O ATOM 0 H GLY A 36 0.058 10.045 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.710 12.062 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.449 12.368 -0.502 1.00 0.00 H new ATOM 586 N GLY A 37 -0.607 10.958 2.244 1.00 0.00 N ATOM 587 CA GLY A 37 -1.519 11.161 3.355 1.00 0.00 C ATOM 588 C GLY A 37 -2.895 11.657 2.963 1.00 0.00 C ATOM 589 O GLY A 37 -3.600 12.252 3.779 1.00 0.00 O ATOM 0 H GLY A 37 -0.271 10.002 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.627 10.220 3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.074 11.876 4.047 1.00 0.00 H new ATOM 593 N CYS A 38 -3.288 11.409 1.725 1.00 0.00 N ATOM 594 CA CYS A 38 -4.603 11.833 1.251 1.00 0.00 C ATOM 595 C CYS A 38 -5.541 10.642 1.071 1.00 0.00 C ATOM 596 O CYS A 38 -5.405 9.861 0.128 1.00 0.00 O ATOM 597 CB CYS A 38 -4.488 12.611 -0.060 1.00 0.00 C ATOM 598 SG CYS A 38 -5.020 14.350 0.070 1.00 0.00 S ATOM 0 H CYS A 38 -2.723 10.920 1.031 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.025 12.489 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.453 12.582 -0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.088 12.113 -0.822 1.00 0.00 H new ATOM 603 N ARG A 39 -6.502 10.519 1.984 1.00 0.00 N ATOM 604 CA ARG A 39 -7.483 9.434 1.948 1.00 0.00 C ATOM 605 C ARG A 39 -6.818 8.078 1.721 1.00 0.00 C ATOM 606 O ARG A 39 -7.165 7.351 0.789 1.00 0.00 O ATOM 607 CB ARG A 39 -8.532 9.691 0.861 1.00 0.00 C ATOM 608 CG ARG A 39 -9.960 9.443 1.327 1.00 0.00 C ATOM 609 CD ARG A 39 -10.509 8.133 0.784 1.00 0.00 C ATOM 610 NE ARG A 39 -9.929 6.972 1.461 1.00 0.00 N ATOM 611 CZ ARG A 39 -10.641 5.979 1.993 1.00 0.00 C ATOM 612 NH1 ARG A 39 -11.968 5.984 1.928 1.00 0.00 N ATOM 613 NH2 ARG A 39 -10.021 4.971 2.591 1.00 0.00 N ATOM 0 H ARG A 39 -6.623 11.163 2.765 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.975 9.409 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.444 10.722 0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.321 9.051 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.990 9.426 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.597 10.266 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.592 8.117 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.304 8.069 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.913 6.920 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.453 6.754 1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.502 5.218 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.002 4.957 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.563 4.209 2.999 1.00 0.00 H new ATOM 627 N ALA A 40 -5.869 7.735 2.587 1.00 0.00 N ATOM 628 CA ALA A 40 -5.171 6.455 2.487 1.00 0.00 C ATOM 629 C ALA A 40 -6.161 5.300 2.339 1.00 0.00 C ATOM 630 O ALA A 40 -7.163 5.236 3.052 1.00 0.00 O ATOM 631 CB ALA A 40 -4.283 6.241 3.704 1.00 0.00 C ATOM 0 H ALA A 40 -5.566 8.322 3.364 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.545 6.479 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.769 5.284 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.548 7.043 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.895 6.243 4.606 1.00 0.00 H new ATOM 637 N LYS A 41 -5.877 4.394 1.409 1.00 0.00 N ATOM 638 CA LYS A 41 -6.747 3.246 1.171 1.00 0.00 C ATOM 639 C LYS A 41 -6.324 2.051 2.019 1.00 0.00 C ATOM 640 O LYS A 41 -5.400 2.143 2.828 1.00 0.00 O ATOM 641 CB LYS A 41 -6.735 2.861 -0.310 1.00 0.00 C ATOM 642 CG LYS A 41 -7.347 3.911 -1.222 1.00 0.00 C ATOM 643 CD LYS A 41 -8.844 4.053 -0.994 1.00 0.00 C ATOM 644 CE LYS A 41 -9.519 4.756 -2.162 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.836 3.813 -3.271 1.00 0.00 N ATOM 0 H LYS A 41 -5.053 4.431 0.809 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.759 3.532 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.706 2.679 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.276 1.923 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.860 4.871 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.161 3.642 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.288 3.067 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.022 4.615 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.437 5.233 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.869 5.548 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.295 4.331 -4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.958 3.377 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.477 3.071 -2.924 1.00 0.00 H new ATOM 659 N ARG A 42 -7.010 0.926 1.827 1.00 0.00 N ATOM 660 CA ARG A 42 -6.715 -0.296 2.573 1.00 0.00 C ATOM 661 C ARG A 42 -5.330 -0.838 2.231 1.00 0.00 C ATOM 662 O ARG A 42 -4.655 -1.417 3.082 1.00 0.00 O ATOM 663 CB ARG A 42 -7.776 -1.365 2.285 1.00 0.00 C ATOM 664 CG ARG A 42 -9.113 -1.086 2.954 1.00 0.00 C ATOM 665 CD ARG A 42 -10.263 -1.137 1.959 1.00 0.00 C ATOM 666 NE ARG A 42 -10.817 0.190 1.694 1.00 0.00 N ATOM 667 CZ ARG A 42 -11.640 0.462 0.684 1.00 0.00 C ATOM 668 NH1 ARG A 42 -12.007 -0.496 -0.158 1.00 0.00 N ATOM 669 NH2 ARG A 42 -12.098 1.695 0.515 1.00 0.00 N ATOM 0 H ARG A 42 -7.776 0.835 1.159 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.731 -0.047 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.925 -1.437 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.405 -2.334 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.284 -1.817 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.085 -0.105 3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.915 -1.578 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.048 -1.787 2.345 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.557 0.952 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.658 -1.446 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.638 -0.282 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.820 2.435 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.729 1.903 -0.259 1.00 0.00 H new ATOM 683 N ASN A 43 -4.917 -0.665 0.979 1.00 0.00 N ATOM 684 CA ASN A 43 -3.616 -1.150 0.537 1.00 0.00 C ATOM 685 C ASN A 43 -2.534 -0.105 0.771 1.00 0.00 C ATOM 686 O ASN A 43 -1.881 0.361 -0.163 1.00 0.00 O ATOM 687 CB ASN A 43 -3.669 -1.544 -0.939 1.00 0.00 C ATOM 688 CG ASN A 43 -2.808 -2.749 -1.254 1.00 0.00 C ATOM 689 OD1 ASN A 43 -2.025 -3.204 -0.420 1.00 0.00 O ATOM 690 ND2 ASN A 43 -2.951 -3.276 -2.465 1.00 0.00 N ATOM 0 H ASN A 43 -5.462 -0.195 0.256 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.365 -2.032 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.701 -1.758 -1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.343 -0.701 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.400 -4.091 -2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.612 -2.866 -3.125 1.00 0.00 H new ATOM 697 N ASN A 44 -2.361 0.256 2.034 1.00 0.00 N ATOM 698 CA ASN A 44 -1.367 1.248 2.430 1.00 0.00 C ATOM 699 C ASN A 44 -0.836 0.950 3.831 1.00 0.00 C ATOM 700 O ASN A 44 -1.261 1.566 4.806 1.00 0.00 O ATOM 701 CB ASN A 44 -1.976 2.651 2.399 1.00 0.00 C ATOM 702 CG ASN A 44 -2.480 3.031 1.022 1.00 0.00 C ATOM 703 OD1 ASN A 44 -3.346 2.367 0.457 1.00 0.00 O ATOM 704 ND2 ASN A 44 -1.935 4.106 0.471 1.00 0.00 N ATOM 0 H ASN A 44 -2.901 -0.126 2.810 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.539 1.200 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.799 2.703 3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.229 3.376 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.232 4.410 -0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.219 4.629 0.974 1.00 0.00 H new ATOM 711 N PHE A 45 0.094 0.005 3.924 1.00 0.00 N ATOM 712 CA PHE A 45 0.676 -0.372 5.211 1.00 0.00 C ATOM 713 C PHE A 45 1.944 0.421 5.493 1.00 0.00 C ATOM 714 O PHE A 45 2.583 0.940 4.577 1.00 0.00 O ATOM 715 CB PHE A 45 0.986 -1.871 5.231 1.00 0.00 C ATOM 716 CG PHE A 45 -0.069 -2.692 4.549 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.169 -3.154 5.252 1.00 0.00 C ATOM 718 CD2 PHE A 45 0.024 -2.976 3.197 1.00 0.00 C ATOM 719 CE1 PHE A 45 -2.157 -3.884 4.619 1.00 0.00 C ATOM 720 CE2 PHE A 45 -0.958 -3.710 2.559 1.00 0.00 C ATOM 721 CZ PHE A 45 -2.050 -4.162 3.270 1.00 0.00 C ATOM 0 H PHE A 45 0.461 -0.514 3.126 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.052 -0.143 5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.946 -2.045 4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.087 -2.203 6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.256 -2.941 6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.874 -2.620 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.011 -4.237 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.870 -3.929 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.820 -4.733 2.773 1.00 0.00 H new ATOM 731 N LYS A 46 2.301 0.511 6.768 1.00 0.00 N ATOM 732 CA LYS A 46 3.493 1.239 7.180 1.00 0.00 C ATOM 733 C LYS A 46 4.705 0.314 7.247 1.00 0.00 C ATOM 734 O LYS A 46 5.842 0.778 7.348 1.00 0.00 O ATOM 735 CB LYS A 46 3.269 1.896 8.544 1.00 0.00 C ATOM 736 CG LYS A 46 2.388 3.132 8.487 1.00 0.00 C ATOM 737 CD LYS A 46 2.170 3.727 9.870 1.00 0.00 C ATOM 738 CE LYS A 46 0.691 3.912 10.172 1.00 0.00 C ATOM 739 NZ LYS A 46 0.470 4.565 11.492 1.00 0.00 N ATOM 0 H LYS A 46 1.780 0.087 7.536 1.00 0.00 H new ATOM 0 HA LYS A 46 3.688 2.011 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.817 1.169 9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.235 2.168 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.847 3.877 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.426 2.874 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.617 3.076 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.679 4.688 9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.233 4.515 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.194 2.942 10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.551 4.673 11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.884 3.978 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.922 5.502 11.496 1.00 0.00 H new ATOM 753 N SER A 47 4.464 -0.993 7.189 1.00 0.00 N ATOM 754 CA SER A 47 5.552 -1.961 7.247 1.00 0.00 C ATOM 755 C SER A 47 5.286 -3.162 6.352 1.00 0.00 C ATOM 756 O SER A 47 4.139 -3.548 6.121 1.00 0.00 O ATOM 757 CB SER A 47 5.778 -2.430 8.686 1.00 0.00 C ATOM 758 OG SER A 47 4.688 -2.076 9.519 1.00 0.00 O ATOM 0 H SER A 47 3.534 -1.402 7.103 1.00 0.00 H new ATOM 0 HA SER A 47 6.450 -1.460 6.885 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.914 -3.511 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.695 -1.988 9.075 1.00 0.00 H new ATOM 0 HG SER A 47 4.121 -2.861 9.667 1.00 0.00 H new ATOM 764 N ALA A 48 6.366 -3.757 5.866 1.00 0.00 N ATOM 765 CA ALA A 48 6.272 -4.924 5.004 1.00 0.00 C ATOM 766 C ALA A 48 5.541 -6.059 5.712 1.00 0.00 C ATOM 767 O ALA A 48 4.853 -6.858 5.079 1.00 0.00 O ATOM 768 CB ALA A 48 7.659 -5.375 4.571 1.00 0.00 C ATOM 0 H ALA A 48 7.320 -3.449 6.055 1.00 0.00 H new ATOM 0 HA ALA A 48 5.701 -4.650 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.572 -6.250 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.150 -4.569 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.250 -5.630 5.451 1.00 0.00 H new ATOM 774 N GLU A 49 5.695 -6.118 7.033 1.00 0.00 N ATOM 775 CA GLU A 49 5.047 -7.153 7.829 1.00 0.00 C ATOM 776 C GLU A 49 3.533 -7.011 7.766 1.00 0.00 C ATOM 777 O GLU A 49 2.825 -7.970 7.463 1.00 0.00 O ATOM 778 CB GLU A 49 5.521 -7.090 9.283 1.00 0.00 C ATOM 779 CG GLU A 49 6.942 -7.592 9.484 1.00 0.00 C ATOM 780 CD GLU A 49 7.281 -7.811 10.945 1.00 0.00 C ATOM 781 OE1 GLU A 49 7.514 -6.811 11.656 1.00 0.00 O ATOM 782 OE2 GLU A 49 7.315 -8.983 11.377 1.00 0.00 O ATOM 0 H GLU A 49 6.261 -5.463 7.572 1.00 0.00 H new ATOM 0 HA GLU A 49 5.323 -8.122 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.456 -6.060 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.845 -7.680 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.073 -8.527 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.641 -6.874 9.056 1.00 0.00 H new ATOM 789 N ASP A 50 3.036 -5.807 8.041 1.00 0.00 N ATOM 790 CA ASP A 50 1.602 -5.554 7.992 1.00 0.00 C ATOM 791 C ASP A 50 1.074 -5.896 6.609 1.00 0.00 C ATOM 792 O ASP A 50 0.003 -6.487 6.463 1.00 0.00 O ATOM 793 CB ASP A 50 1.299 -4.092 8.327 1.00 0.00 C ATOM 794 CG ASP A 50 1.499 -3.781 9.798 1.00 0.00 C ATOM 795 OD1 ASP A 50 2.574 -4.121 10.336 1.00 0.00 O ATOM 796 OD2 ASP A 50 0.581 -3.198 10.412 1.00 0.00 O ATOM 0 H ASP A 50 3.602 -4.998 8.298 1.00 0.00 H new ATOM 0 HA ASP A 50 1.107 -6.182 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.943 -3.445 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.271 -3.864 8.047 1.00 0.00 H new ATOM 801 N CYS A 51 1.857 -5.543 5.594 1.00 0.00 N ATOM 802 CA CYS A 51 1.500 -5.830 4.214 1.00 0.00 C ATOM 803 C CYS A 51 1.332 -7.330 4.035 1.00 0.00 C ATOM 804 O CYS A 51 0.244 -7.820 3.732 1.00 0.00 O ATOM 805 CB CYS A 51 2.606 -5.329 3.289 1.00 0.00 C ATOM 806 SG CYS A 51 2.042 -4.831 1.629 1.00 0.00 S ATOM 0 H CYS A 51 2.746 -5.056 5.705 1.00 0.00 H new ATOM 0 HA CYS A 51 0.564 -5.328 3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.098 -4.479 3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.356 -6.113 3.183 1.00 0.00 H new ATOM 811 N LEU A 52 2.425 -8.055 4.255 1.00 0.00 N ATOM 812 CA LEU A 52 2.414 -9.509 4.140 1.00 0.00 C ATOM 813 C LEU A 52 1.317 -10.105 5.015 1.00 0.00 C ATOM 814 O LEU A 52 0.770 -11.163 4.713 1.00 0.00 O ATOM 815 CB LEU A 52 3.773 -10.089 4.540 1.00 0.00 C ATOM 816 CG LEU A 52 4.911 -9.813 3.555 1.00 0.00 C ATOM 817 CD1 LEU A 52 6.235 -10.303 4.122 1.00 0.00 C ATOM 818 CD2 LEU A 52 4.626 -10.471 2.212 1.00 0.00 C ATOM 0 H LEU A 52 3.329 -7.659 4.514 1.00 0.00 H new ATOM 0 HA LEU A 52 2.214 -9.767 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.050 -9.686 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.670 -11.168 4.659 1.00 0.00 H new ATOM 0 HG LEU A 52 4.981 -8.736 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.034 -10.099 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.444 -9.786 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.177 -11.376 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.446 -10.264 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.529 -11.548 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.698 -10.072 1.801 1.00 0.00 H new ATOM 830 N ARG A 53 0.986 -9.409 6.094 1.00 0.00 N ATOM 831 CA ARG A 53 -0.059 -9.867 6.995 1.00 0.00 C ATOM 832 C ARG A 53 -1.423 -9.694 6.340 1.00 0.00 C ATOM 833 O ARG A 53 -2.352 -10.458 6.601 1.00 0.00 O ATOM 834 CB ARG A 53 -0.008 -9.096 8.315 1.00 0.00 C ATOM 835 CG ARG A 53 -0.017 -9.990 9.544 1.00 0.00 C ATOM 836 CD ARG A 53 -0.423 -9.220 10.791 1.00 0.00 C ATOM 837 NE ARG A 53 0.377 -9.599 11.954 1.00 0.00 N ATOM 838 CZ ARG A 53 0.125 -10.664 12.713 1.00 0.00 C ATOM 839 NH1 ARG A 53 -0.898 -11.461 12.435 1.00 0.00 N ATOM 840 NH2 ARG A 53 0.903 -10.932 13.753 1.00 0.00 N ATOM 0 H ARG A 53 1.425 -8.529 6.365 1.00 0.00 H new ATOM 0 HA ARG A 53 0.104 -10.924 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.891 -8.480 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.860 -8.418 8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.707 -10.819 9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.973 -10.422 9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.313 -8.151 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.477 -9.401 11.002 1.00 0.00 H new ATOM 0 HE ARG A 53 1.175 -9.013 12.199 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.498 -11.260 11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.084 -12.275 13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.692 -10.323 13.970 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.712 -11.747 14.336 1.00 0.00 H new ATOM 854 N THR A 54 -1.538 -8.677 5.486 1.00 0.00 N ATOM 855 CA THR A 54 -2.794 -8.396 4.798 1.00 0.00 C ATOM 856 C THR A 54 -2.870 -9.082 3.434 1.00 0.00 C ATOM 857 O THR A 54 -3.858 -9.748 3.125 1.00 0.00 O ATOM 858 CB THR A 54 -2.969 -6.887 4.630 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.782 -6.229 5.870 1.00 0.00 O ATOM 860 CG2 THR A 54 -4.334 -6.497 4.103 1.00 0.00 C ATOM 0 H THR A 54 -0.778 -8.037 5.256 1.00 0.00 H new ATOM 0 HA THR A 54 -3.600 -8.797 5.412 1.00 0.00 H new ATOM 0 HB THR A 54 -2.219 -6.583 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.100 -5.532 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.391 -5.413 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.492 -6.956 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.103 -6.841 4.795 1.00 0.00 H new ATOM 868 N CYS A 55 -1.842 -8.901 2.608 1.00 0.00 N ATOM 869 CA CYS A 55 -1.834 -9.489 1.273 1.00 0.00 C ATOM 870 C CYS A 55 -0.846 -10.648 1.153 1.00 0.00 C ATOM 871 O CYS A 55 -0.792 -11.314 0.119 1.00 0.00 O ATOM 872 CB CYS A 55 -1.498 -8.417 0.237 1.00 0.00 C ATOM 873 SG CYS A 55 -2.849 -7.233 -0.078 1.00 0.00 S ATOM 0 H CYS A 55 -1.011 -8.356 2.838 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.831 -9.889 1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.619 -7.867 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.231 -8.905 -0.701 1.00 0.00 H new