USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5!) USER MOD Single : A 18 THR OG1 : rot 31:sc= -1.07! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 35 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.43) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 69:sc= -1.22! USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 0.00236 (180deg=0) USER MOD Single : A 52 MET CE :methyl -159:sc=-0.00145 (180deg=-0.116) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -118:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -12.068 -8.536 7.959 1.00 0.00 N ATOM 33 CA GLU A 3 -13.319 -7.733 7.864 1.00 0.00 C ATOM 34 C GLU A 3 -12.976 -6.248 7.732 1.00 0.00 C ATOM 35 O GLU A 3 -13.542 -5.410 8.405 1.00 0.00 O ATOM 36 CB GLU A 3 -14.160 -7.948 9.125 1.00 0.00 C ATOM 37 CG GLU A 3 -13.269 -7.826 10.362 1.00 0.00 C ATOM 38 CD GLU A 3 -14.137 -7.556 11.592 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.332 -7.790 11.511 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.594 -7.119 12.593 1.00 0.00 O ATOM 0 HA GLU A 3 -13.882 -8.052 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.963 -7.212 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.630 -8.931 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.696 -8.743 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.550 -7.018 10.227 1.00 0.00 H new ATOM 47 N CYS A 4 -12.060 -5.910 6.866 1.00 0.00 N ATOM 48 CA CYS A 4 -11.699 -4.475 6.695 1.00 0.00 C ATOM 49 C CYS A 4 -10.893 -4.293 5.407 1.00 0.00 C ATOM 50 O CYS A 4 -9.928 -4.991 5.161 1.00 0.00 O ATOM 51 CB CYS A 4 -10.863 -4.003 7.889 1.00 0.00 C ATOM 52 SG CYS A 4 -10.534 -2.232 7.727 1.00 0.00 S ATOM 0 H CYS A 4 -11.548 -6.563 6.272 1.00 0.00 H new ATOM 0 HA CYS A 4 -12.613 -3.884 6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -11.393 -4.202 8.820 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.925 -4.556 7.932 1.00 0.00 H new ATOM 57 N ASP A 5 -11.279 -3.356 4.585 1.00 0.00 N ATOM 58 CA ASP A 5 -10.535 -3.121 3.315 1.00 0.00 C ATOM 59 C ASP A 5 -9.697 -1.848 3.451 1.00 0.00 C ATOM 60 O ASP A 5 -8.701 -1.671 2.777 1.00 0.00 O ATOM 61 CB ASP A 5 -11.530 -2.958 2.163 1.00 0.00 C ATOM 62 CG ASP A 5 -10.920 -3.515 0.876 1.00 0.00 C ATOM 63 OD1 ASP A 5 -9.707 -3.626 0.818 1.00 0.00 O ATOM 64 OD2 ASP A 5 -11.677 -3.821 -0.031 1.00 0.00 O ATOM 0 H ASP A 5 -12.079 -2.742 4.738 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.882 -3.969 3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.458 -3.481 2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.782 -1.905 2.032 1.00 0.00 H new ATOM 69 N CYS A 6 -10.091 -0.963 4.325 1.00 0.00 N ATOM 70 CA CYS A 6 -9.322 0.300 4.517 1.00 0.00 C ATOM 71 C CYS A 6 -8.583 0.228 5.859 1.00 0.00 C ATOM 72 O CYS A 6 -8.578 -0.794 6.512 1.00 0.00 O ATOM 73 CB CYS A 6 -10.297 1.488 4.496 1.00 0.00 C ATOM 74 SG CYS A 6 -11.173 1.613 6.079 1.00 0.00 S ATOM 0 H CYS A 6 -10.916 -1.060 4.917 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.593 0.432 3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.751 2.411 4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.014 1.364 3.685 1.00 0.00 H new ATOM 79 N SER A 7 -7.957 1.291 6.283 1.00 0.00 N ATOM 80 CA SER A 7 -7.234 1.243 7.584 1.00 0.00 C ATOM 81 C SER A 7 -7.800 2.308 8.528 1.00 0.00 C ATOM 82 O SER A 7 -7.901 2.099 9.721 1.00 0.00 O ATOM 83 CB SER A 7 -5.745 1.504 7.352 1.00 0.00 C ATOM 84 OG SER A 7 -5.188 2.111 8.512 1.00 0.00 O ATOM 0 H SER A 7 -7.915 2.183 5.790 1.00 0.00 H new ATOM 0 HA SER A 7 -7.364 0.258 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.230 0.569 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.608 2.153 6.487 1.00 0.00 H new ATOM 0 HG SER A 7 -4.233 2.278 8.367 1.00 0.00 H new ATOM 90 N SER A 8 -8.170 3.448 8.009 1.00 0.00 N ATOM 91 CA SER A 8 -8.729 4.518 8.884 1.00 0.00 C ATOM 92 C SER A 8 -10.245 4.328 9.019 1.00 0.00 C ATOM 93 O SER A 8 -10.918 4.056 8.044 1.00 0.00 O ATOM 94 CB SER A 8 -8.443 5.885 8.261 1.00 0.00 C ATOM 95 OG SER A 8 -7.044 6.135 8.296 1.00 0.00 O ATOM 0 H SER A 8 -8.109 3.684 7.019 1.00 0.00 H new ATOM 0 HA SER A 8 -8.266 4.461 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.803 5.911 7.232 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.977 6.664 8.805 1.00 0.00 H new ATOM 0 HG SER A 8 -6.858 7.010 7.896 1.00 0.00 H new ATOM 101 N PRO A 9 -10.738 4.477 10.223 1.00 0.00 N ATOM 102 CA PRO A 9 -12.175 4.328 10.513 1.00 0.00 C ATOM 103 C PRO A 9 -12.937 5.591 10.099 1.00 0.00 C ATOM 104 O PRO A 9 -13.978 5.523 9.477 1.00 0.00 O ATOM 105 CB PRO A 9 -12.216 4.138 12.033 1.00 0.00 C ATOM 106 CG PRO A 9 -10.905 4.749 12.584 1.00 0.00 C ATOM 107 CD PRO A 9 -9.916 4.807 11.405 1.00 0.00 C ATOM 0 HA PRO A 9 -12.639 3.503 9.973 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.086 4.633 12.463 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.291 3.082 12.291 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.083 5.745 12.990 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.505 4.141 13.395 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.465 5.795 11.313 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.101 4.095 11.534 1.00 0.00 H new ATOM 115 N GLU A 10 -12.423 6.744 10.436 1.00 0.00 N ATOM 116 CA GLU A 10 -13.120 8.005 10.057 1.00 0.00 C ATOM 117 C GLU A 10 -13.254 8.066 8.536 1.00 0.00 C ATOM 118 O GLU A 10 -14.167 8.668 8.007 1.00 0.00 O ATOM 119 CB GLU A 10 -12.313 9.210 10.546 1.00 0.00 C ATOM 120 CG GLU A 10 -13.079 10.497 10.234 1.00 0.00 C ATOM 121 CD GLU A 10 -12.762 11.554 11.294 1.00 0.00 C ATOM 122 OE1 GLU A 10 -13.317 11.463 12.377 1.00 0.00 O ATOM 123 OE2 GLU A 10 -11.973 12.438 11.003 1.00 0.00 O ATOM 0 H GLU A 10 -11.554 6.866 10.955 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.108 8.026 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.135 9.131 11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.337 9.228 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.804 10.865 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.151 10.298 10.213 1.00 0.00 H new ATOM 130 N ASN A 11 -12.352 7.441 7.832 1.00 0.00 N ATOM 131 CA ASN A 11 -12.430 7.456 6.346 1.00 0.00 C ATOM 132 C ASN A 11 -13.809 6.937 5.915 1.00 0.00 C ATOM 133 O ASN A 11 -14.182 5.833 6.257 1.00 0.00 O ATOM 134 CB ASN A 11 -11.339 6.546 5.778 1.00 0.00 C ATOM 135 CG ASN A 11 -11.329 6.647 4.253 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.577 7.701 3.701 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.049 5.589 3.544 1.00 0.00 N ATOM 0 H ASN A 11 -11.565 6.921 8.221 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.287 8.470 5.973 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.367 6.834 6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.516 5.515 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.038 5.646 2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.841 4.705 4.008 1.00 0.00 H new ATOM 144 N PRO A 12 -14.531 7.751 5.184 1.00 0.00 N ATOM 145 CA PRO A 12 -15.880 7.398 4.702 1.00 0.00 C ATOM 146 C PRO A 12 -15.803 6.452 3.500 1.00 0.00 C ATOM 147 O PRO A 12 -16.736 5.731 3.207 1.00 0.00 O ATOM 148 CB PRO A 12 -16.481 8.745 4.296 1.00 0.00 C ATOM 149 CG PRO A 12 -15.288 9.694 4.030 1.00 0.00 C ATOM 150 CD PRO A 12 -14.077 9.094 4.768 1.00 0.00 C ATOM 0 HA PRO A 12 -16.474 6.877 5.453 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.101 8.641 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.121 9.138 5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.089 9.776 2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.504 10.699 4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.204 9.035 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.794 9.702 5.627 1.00 0.00 H new ATOM 158 N CYS A 13 -14.704 6.450 2.795 1.00 0.00 N ATOM 159 CA CYS A 13 -14.586 5.553 1.614 1.00 0.00 C ATOM 160 C CYS A 13 -14.780 4.099 2.050 1.00 0.00 C ATOM 161 O CYS A 13 -15.023 3.228 1.239 1.00 0.00 O ATOM 162 CB CYS A 13 -13.203 5.715 0.980 1.00 0.00 C ATOM 163 SG CYS A 13 -13.288 5.240 -0.766 1.00 0.00 S ATOM 0 H CYS A 13 -13.886 7.029 2.986 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.352 5.818 0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.866 6.748 1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.475 5.095 1.503 1.00 0.00 H new ATOM 168 N CYS A 14 -14.678 3.826 3.322 1.00 0.00 N ATOM 169 CA CYS A 14 -14.859 2.422 3.788 1.00 0.00 C ATOM 170 C CYS A 14 -15.795 2.388 4.996 1.00 0.00 C ATOM 171 O CYS A 14 -15.531 2.983 6.023 1.00 0.00 O ATOM 172 CB CYS A 14 -13.499 1.826 4.164 1.00 0.00 C ATOM 173 SG CYS A 14 -12.848 2.653 5.635 1.00 0.00 S ATOM 0 H CYS A 14 -14.479 4.508 4.054 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.300 1.832 2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.600 0.757 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.801 1.939 3.334 1.00 0.00 H new ATOM 178 N ASP A 15 -16.890 1.691 4.876 1.00 0.00 N ATOM 179 CA ASP A 15 -17.852 1.606 6.009 1.00 0.00 C ATOM 180 C ASP A 15 -17.109 1.165 7.271 1.00 0.00 C ATOM 181 O ASP A 15 -16.438 0.151 7.283 1.00 0.00 O ATOM 182 CB ASP A 15 -18.940 0.584 5.675 1.00 0.00 C ATOM 183 CG ASP A 15 -20.239 0.967 6.387 1.00 0.00 C ATOM 184 OD1 ASP A 15 -20.245 1.986 7.058 1.00 0.00 O ATOM 185 OD2 ASP A 15 -21.205 0.235 6.250 1.00 0.00 O ATOM 0 H ASP A 15 -17.161 1.175 4.039 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.308 2.582 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.101 0.548 4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.624 -0.413 5.984 1.00 0.00 H new ATOM 190 N ALA A 16 -17.222 1.919 8.331 1.00 0.00 N ATOM 191 CA ALA A 16 -16.522 1.545 9.592 1.00 0.00 C ATOM 192 C ALA A 16 -17.212 0.332 10.220 1.00 0.00 C ATOM 193 O ALA A 16 -16.573 -0.527 10.795 1.00 0.00 O ATOM 194 CB ALA A 16 -16.569 2.721 10.570 1.00 0.00 C ATOM 0 H ALA A 16 -17.769 2.778 8.378 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.484 1.297 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.057 2.448 11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.076 3.585 10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.607 2.969 10.791 1.00 0.00 H new ATOM 200 N ALA A 17 -18.512 0.251 10.116 1.00 0.00 N ATOM 201 CA ALA A 17 -19.231 -0.912 10.708 1.00 0.00 C ATOM 202 C ALA A 17 -18.555 -2.203 10.245 1.00 0.00 C ATOM 203 O ALA A 17 -18.312 -3.103 11.024 1.00 0.00 O ATOM 204 CB ALA A 17 -20.689 -0.904 10.246 1.00 0.00 C ATOM 0 H ALA A 17 -19.104 0.937 9.648 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.200 -0.848 11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -21.213 -1.756 10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.168 0.020 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -20.727 -0.971 9.159 1.00 0.00 H new ATOM 210 N THR A 18 -18.240 -2.293 8.983 1.00 0.00 N ATOM 211 CA THR A 18 -17.568 -3.517 8.466 1.00 0.00 C ATOM 212 C THR A 18 -16.127 -3.175 8.083 1.00 0.00 C ATOM 213 O THR A 18 -15.378 -4.017 7.627 1.00 0.00 O ATOM 214 CB THR A 18 -18.317 -4.040 7.235 1.00 0.00 C ATOM 215 OG1 THR A 18 -17.401 -4.699 6.372 1.00 0.00 O ATOM 216 CG2 THR A 18 -18.972 -2.874 6.491 1.00 0.00 C ATOM 0 H THR A 18 -18.419 -1.570 8.286 1.00 0.00 H new ATOM 0 HA THR A 18 -17.570 -4.287 9.238 1.00 0.00 H new ATOM 0 HB THR A 18 -19.090 -4.740 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 18 -16.682 -5.101 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.503 -3.252 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.676 -2.370 7.153 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.205 -2.169 6.172 1.00 0.00 H new ATOM 224 N CYS A 19 -15.729 -1.942 8.266 1.00 0.00 N ATOM 225 CA CYS A 19 -14.337 -1.545 7.917 1.00 0.00 C ATOM 226 C CYS A 19 -14.061 -1.876 6.450 1.00 0.00 C ATOM 227 O CYS A 19 -12.926 -1.939 6.020 1.00 0.00 O ATOM 228 CB CYS A 19 -13.357 -2.315 8.806 1.00 0.00 C ATOM 229 SG CYS A 19 -11.835 -1.358 9.001 1.00 0.00 S ATOM 0 H CYS A 19 -16.311 -1.194 8.643 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.213 -0.474 8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.807 -2.505 9.781 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -13.134 -3.286 8.363 1.00 0.00 H new ATOM 234 N LYS A 20 -15.089 -2.090 5.674 1.00 0.00 N ATOM 235 CA LYS A 20 -14.874 -2.425 4.237 1.00 0.00 C ATOM 236 C LYS A 20 -15.319 -1.257 3.355 1.00 0.00 C ATOM 237 O LYS A 20 -15.973 -0.337 3.805 1.00 0.00 O ATOM 238 CB LYS A 20 -15.687 -3.669 3.876 1.00 0.00 C ATOM 239 CG LYS A 20 -15.051 -4.900 4.523 1.00 0.00 C ATOM 240 CD LYS A 20 -15.308 -6.126 3.644 1.00 0.00 C ATOM 241 CE LYS A 20 -14.092 -7.053 3.686 1.00 0.00 C ATOM 242 NZ LYS A 20 -14.177 -8.033 2.566 1.00 0.00 N ATOM 0 H LYS A 20 -16.064 -2.048 5.971 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.814 -2.617 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.716 -3.556 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.723 -3.792 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.979 -4.746 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.468 -5.058 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.194 -6.656 3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.506 -5.815 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.174 -6.471 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.054 -7.578 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.351 -8.664 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.046 -8.596 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.194 -7.524 1.659 1.00 0.00 H new ATOM 256 N LEU A 21 -14.967 -1.291 2.098 1.00 0.00 N ATOM 257 CA LEU A 21 -15.364 -0.188 1.181 1.00 0.00 C ATOM 258 C LEU A 21 -16.887 -0.134 1.073 1.00 0.00 C ATOM 259 O LEU A 21 -17.534 -1.118 0.775 1.00 0.00 O ATOM 260 CB LEU A 21 -14.764 -0.435 -0.200 1.00 0.00 C ATOM 261 CG LEU A 21 -13.291 -0.037 -0.181 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.424 -1.293 -0.246 1.00 0.00 C ATOM 263 CD2 LEU A 21 -12.989 0.857 -1.384 1.00 0.00 C ATOM 0 H LEU A 21 -14.421 -2.037 1.667 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.996 0.760 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.867 -1.485 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.300 0.143 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.072 0.507 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.372 -1.010 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.640 -1.929 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.641 -1.838 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.937 1.142 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.207 0.315 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.608 1.753 -1.336 1.00 0.00 H new ATOM 275 N ARG A 22 -17.464 1.006 1.321 1.00 0.00 N ATOM 276 CA ARG A 22 -18.947 1.124 1.239 1.00 0.00 C ATOM 277 C ARG A 22 -19.383 1.295 -0.221 1.00 0.00 C ATOM 278 O ARG A 22 -20.240 0.576 -0.693 1.00 0.00 O ATOM 279 CB ARG A 22 -19.413 2.331 2.054 1.00 0.00 C ATOM 280 CG ARG A 22 -20.604 1.925 2.924 1.00 0.00 C ATOM 281 CD ARG A 22 -21.901 2.409 2.272 1.00 0.00 C ATOM 282 NE ARG A 22 -23.014 1.483 2.632 1.00 0.00 N ATOM 283 CZ ARG A 22 -23.521 0.689 1.729 1.00 0.00 C ATOM 284 NH1 ARG A 22 -22.752 0.169 0.812 1.00 0.00 N ATOM 285 NH2 ARG A 22 -24.796 0.412 1.743 1.00 0.00 N ATOM 0 H ARG A 22 -16.974 1.863 1.577 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.396 0.216 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.599 2.698 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.696 3.146 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.627 0.842 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.503 2.355 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -22.133 3.420 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -21.783 2.450 1.189 1.00 0.00 H new ATOM 0 HE ARG A 22 -23.379 1.471 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.755 0.383 0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.148 -0.452 0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -25.398 0.816 2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -25.191 -0.209 1.036 1.00 0.00 H new ATOM 299 N PRO A 23 -18.787 2.247 -0.891 1.00 0.00 N ATOM 300 CA PRO A 23 -19.103 2.539 -2.299 1.00 0.00 C ATOM 301 C PRO A 23 -18.404 1.539 -3.222 1.00 0.00 C ATOM 302 O PRO A 23 -17.948 0.497 -2.793 1.00 0.00 O ATOM 303 CB PRO A 23 -18.549 3.951 -2.506 1.00 0.00 C ATOM 304 CG PRO A 23 -17.468 4.160 -1.418 1.00 0.00 C ATOM 305 CD PRO A 23 -17.744 3.121 -0.314 1.00 0.00 C ATOM 0 HA PRO A 23 -20.167 2.467 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -18.122 4.058 -3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -19.340 4.696 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.469 4.027 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -17.513 5.172 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -16.845 2.557 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -18.087 3.597 0.604 1.00 0.00 H new ATOM 313 N GLY A 24 -18.312 1.849 -4.486 1.00 0.00 N ATOM 314 CA GLY A 24 -17.640 0.917 -5.434 1.00 0.00 C ATOM 315 C GLY A 24 -16.145 1.242 -5.487 1.00 0.00 C ATOM 316 O GLY A 24 -15.463 0.921 -6.440 1.00 0.00 O ATOM 0 H GLY A 24 -18.673 2.707 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.789 -0.115 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.080 1.010 -6.427 1.00 0.00 H new ATOM 320 N ALA A 25 -15.633 1.877 -4.468 1.00 0.00 N ATOM 321 CA ALA A 25 -14.185 2.225 -4.454 1.00 0.00 C ATOM 322 C ALA A 25 -13.353 0.943 -4.370 1.00 0.00 C ATOM 323 O ALA A 25 -13.729 -0.009 -3.715 1.00 0.00 O ATOM 324 CB ALA A 25 -13.893 3.106 -3.234 1.00 0.00 C ATOM 0 H ALA A 25 -16.157 2.170 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.927 2.763 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.834 3.365 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.488 4.017 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.148 2.563 -2.324 1.00 0.00 H new ATOM 330 N GLN A 26 -12.224 0.906 -5.028 1.00 0.00 N ATOM 331 CA GLN A 26 -11.375 -0.315 -4.977 1.00 0.00 C ATOM 332 C GLN A 26 -10.480 -0.254 -3.740 1.00 0.00 C ATOM 333 O GLN A 26 -9.852 -1.223 -3.363 1.00 0.00 O ATOM 334 CB GLN A 26 -10.504 -0.382 -6.234 1.00 0.00 C ATOM 335 CG GLN A 26 -10.911 -1.595 -7.069 1.00 0.00 C ATOM 336 CD GLN A 26 -12.046 -1.203 -8.018 1.00 0.00 C ATOM 337 OE1 GLN A 26 -13.166 -1.002 -7.592 1.00 0.00 O ATOM 338 NE2 GLN A 26 -11.802 -1.084 -9.294 1.00 0.00 N ATOM 0 H GLN A 26 -11.856 1.668 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.008 -1.201 -4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.619 0.531 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.452 -0.453 -5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.057 -1.961 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.232 -2.408 -6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.862 -1.253 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.552 -0.822 -9.934 1.00 0.00 H new ATOM 347 N CYS A 27 -10.419 0.884 -3.105 1.00 0.00 N ATOM 348 CA CYS A 27 -9.568 1.023 -1.891 1.00 0.00 C ATOM 349 C CYS A 27 -9.977 2.284 -1.132 1.00 0.00 C ATOM 350 O CYS A 27 -9.948 3.376 -1.664 1.00 0.00 O ATOM 351 CB CYS A 27 -8.102 1.132 -2.310 1.00 0.00 C ATOM 352 SG CYS A 27 -7.945 2.366 -3.623 1.00 0.00 S ATOM 0 H CYS A 27 -10.925 1.727 -3.377 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.698 0.152 -1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.488 1.414 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.739 0.165 -2.659 1.00 0.00 H new ATOM 357 N GLY A 28 -10.364 2.146 0.104 1.00 0.00 N ATOM 358 CA GLY A 28 -10.774 3.343 0.885 1.00 0.00 C ATOM 359 C GLY A 28 -9.541 4.192 1.189 1.00 0.00 C ATOM 360 O GLY A 28 -9.601 5.405 1.214 1.00 0.00 O ATOM 0 H GLY A 28 -10.414 1.259 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.502 3.927 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.258 3.038 1.813 1.00 0.00 H new ATOM 364 N GLU A 29 -8.422 3.564 1.420 1.00 0.00 N ATOM 365 CA GLU A 29 -7.186 4.334 1.723 1.00 0.00 C ATOM 366 C GLU A 29 -5.971 3.408 1.624 1.00 0.00 C ATOM 367 O GLU A 29 -6.096 2.200 1.669 1.00 0.00 O ATOM 368 CB GLU A 29 -7.286 4.907 3.137 1.00 0.00 C ATOM 369 CG GLU A 29 -6.341 6.101 3.270 1.00 0.00 C ATOM 370 CD GLU A 29 -7.133 7.328 3.722 1.00 0.00 C ATOM 371 OE1 GLU A 29 -8.253 7.153 4.172 1.00 0.00 O ATOM 372 OE2 GLU A 29 -6.606 8.423 3.609 1.00 0.00 O ATOM 0 H GLU A 29 -8.311 2.550 1.412 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.074 5.149 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.311 5.216 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.029 4.142 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.554 5.877 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.853 6.301 2.316 1.00 0.00 H new ATOM 379 N GLY A 30 -4.795 3.962 1.491 1.00 0.00 N ATOM 380 CA GLY A 30 -3.577 3.107 1.390 1.00 0.00 C ATOM 381 C GLY A 30 -2.431 3.916 0.777 1.00 0.00 C ATOM 382 O GLY A 30 -2.615 5.030 0.327 1.00 0.00 O ATOM 0 H GLY A 30 -4.626 4.967 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.292 2.744 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.786 2.230 0.777 1.00 0.00 H new ATOM 386 N LEU A 31 -1.247 3.365 0.760 1.00 0.00 N ATOM 387 CA LEU A 31 -0.086 4.100 0.181 1.00 0.00 C ATOM 388 C LEU A 31 -0.232 4.184 -1.340 1.00 0.00 C ATOM 389 O LEU A 31 0.402 4.994 -1.988 1.00 0.00 O ATOM 390 CB LEU A 31 1.209 3.358 0.521 1.00 0.00 C ATOM 391 CG LEU A 31 1.765 3.877 1.847 1.00 0.00 C ATOM 392 CD1 LEU A 31 1.968 5.391 1.758 1.00 0.00 C ATOM 393 CD2 LEU A 31 0.775 3.561 2.970 1.00 0.00 C ATOM 0 H LEU A 31 -1.034 2.436 1.123 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.055 5.106 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.019 2.287 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.942 3.502 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 31 2.720 3.395 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.364 5.761 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.671 5.617 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.013 5.875 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.169 3.930 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.179 4.045 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.629 2.483 3.033 1.00 0.00 H new ATOM 405 N CYS A 32 -1.056 3.354 -1.920 1.00 0.00 N ATOM 406 CA CYS A 32 -1.224 3.393 -3.399 1.00 0.00 C ATOM 407 C CYS A 32 -2.710 3.427 -3.757 1.00 0.00 C ATOM 408 O CYS A 32 -3.175 2.669 -4.585 1.00 0.00 O ATOM 409 CB CYS A 32 -0.581 2.151 -4.015 1.00 0.00 C ATOM 410 SG CYS A 32 1.062 1.910 -3.296 1.00 0.00 S ATOM 0 H CYS A 32 -1.617 2.654 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.743 4.290 -3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.203 1.275 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.504 2.265 -5.096 1.00 0.00 H new ATOM 415 N CYS A 33 -3.460 4.305 -3.149 1.00 0.00 N ATOM 416 CA CYS A 33 -4.913 4.387 -3.469 1.00 0.00 C ATOM 417 C CYS A 33 -5.275 5.833 -3.806 1.00 0.00 C ATOM 418 O CYS A 33 -5.291 6.697 -2.950 1.00 0.00 O ATOM 419 CB CYS A 33 -5.736 3.914 -2.267 1.00 0.00 C ATOM 420 SG CYS A 33 -7.495 4.076 -2.649 1.00 0.00 S ATOM 0 H CYS A 33 -3.131 4.967 -2.447 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.133 3.748 -4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.497 2.877 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.487 4.505 -1.386 1.00 0.00 H new ATOM 425 N GLU A 34 -5.565 6.107 -5.049 1.00 0.00 N ATOM 426 CA GLU A 34 -5.925 7.495 -5.447 1.00 0.00 C ATOM 427 C GLU A 34 -7.389 7.527 -5.884 1.00 0.00 C ATOM 428 O GLU A 34 -7.850 6.664 -6.606 1.00 0.00 O ATOM 429 CB GLU A 34 -5.033 7.943 -6.607 1.00 0.00 C ATOM 430 CG GLU A 34 -3.594 8.109 -6.114 1.00 0.00 C ATOM 431 CD GLU A 34 -2.923 9.259 -6.869 1.00 0.00 C ATOM 432 OE1 GLU A 34 -3.637 10.132 -7.334 1.00 0.00 O ATOM 433 OE2 GLU A 34 -1.707 9.246 -6.969 1.00 0.00 O ATOM 0 H GLU A 34 -5.568 5.425 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.780 8.168 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.070 7.209 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.398 8.884 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.587 8.310 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.037 7.185 -6.268 1.00 0.00 H new ATOM 440 N GLN A 35 -8.127 8.510 -5.453 1.00 0.00 N ATOM 441 CA GLN A 35 -9.560 8.589 -5.844 1.00 0.00 C ATOM 442 C GLN A 35 -10.289 7.345 -5.338 1.00 0.00 C ATOM 443 O GLN A 35 -11.290 6.930 -5.889 1.00 0.00 O ATOM 444 CB GLN A 35 -9.671 8.665 -7.368 1.00 0.00 C ATOM 445 CG GLN A 35 -9.889 10.118 -7.790 1.00 0.00 C ATOM 446 CD GLN A 35 -11.328 10.530 -7.474 1.00 0.00 C ATOM 447 OE1 GLN A 35 -11.593 11.109 -6.438 1.00 0.00 O ATOM 448 NE2 GLN A 35 -12.276 10.255 -8.328 1.00 0.00 N ATOM 0 H GLN A 35 -7.800 9.262 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.011 9.480 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.765 8.273 -7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.499 8.046 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.189 10.769 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.693 10.232 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.054 9.769 -9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.238 10.526 -8.126 1.00 0.00 H new ATOM 457 N CYS A 36 -9.797 6.745 -4.288 1.00 0.00 N ATOM 458 CA CYS A 36 -10.461 5.528 -3.745 1.00 0.00 C ATOM 459 C CYS A 36 -10.432 4.418 -4.798 1.00 0.00 C ATOM 460 O CYS A 36 -11.385 3.681 -4.964 1.00 0.00 O ATOM 461 CB CYS A 36 -11.910 5.859 -3.387 1.00 0.00 C ATOM 462 SG CYS A 36 -11.989 6.480 -1.688 1.00 0.00 S ATOM 0 H CYS A 36 -8.963 7.046 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.934 5.191 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.304 6.606 -4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.533 4.970 -3.489 1.00 0.00 H new ATOM 467 N LYS A 37 -9.345 4.292 -5.511 1.00 0.00 N ATOM 468 CA LYS A 37 -9.251 3.230 -6.553 1.00 0.00 C ATOM 469 C LYS A 37 -7.826 2.672 -6.575 1.00 0.00 C ATOM 470 O LYS A 37 -6.878 3.358 -6.245 1.00 0.00 O ATOM 471 CB LYS A 37 -9.585 3.829 -7.923 1.00 0.00 C ATOM 472 CG LYS A 37 -10.222 2.756 -8.808 1.00 0.00 C ATOM 473 CD LYS A 37 -10.832 3.415 -10.047 1.00 0.00 C ATOM 474 CE LYS A 37 -12.009 2.574 -10.546 1.00 0.00 C ATOM 475 NZ LYS A 37 -12.892 3.415 -11.402 1.00 0.00 N ATOM 0 H LYS A 37 -8.517 4.880 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.955 2.430 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.267 4.671 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.680 4.214 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.473 2.022 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.991 2.220 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.168 4.424 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.080 3.508 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.644 1.718 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.573 2.180 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.692 2.844 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.250 4.218 -10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.350 3.770 -12.216 1.00 0.00 H new ATOM 489 N PHE A 38 -7.663 1.435 -6.957 1.00 0.00 N ATOM 490 CA PHE A 38 -6.295 0.845 -6.991 1.00 0.00 C ATOM 491 C PHE A 38 -5.480 1.527 -8.090 1.00 0.00 C ATOM 492 O PHE A 38 -5.763 1.385 -9.262 1.00 0.00 O ATOM 493 CB PHE A 38 -6.382 -0.653 -7.296 1.00 0.00 C ATOM 494 CG PHE A 38 -6.884 -1.404 -6.083 1.00 0.00 C ATOM 495 CD1 PHE A 38 -6.415 -1.073 -4.806 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.814 -2.439 -6.240 1.00 0.00 C ATOM 497 CE1 PHE A 38 -6.878 -1.775 -3.687 1.00 0.00 C ATOM 498 CE2 PHE A 38 -8.275 -3.143 -5.121 1.00 0.00 C ATOM 499 CZ PHE A 38 -7.808 -2.810 -3.844 1.00 0.00 C ATOM 0 H PHE A 38 -8.415 0.809 -7.246 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.817 0.992 -6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.051 -0.822 -8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.401 -1.030 -7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.696 -0.276 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.176 -2.694 -7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.518 -1.518 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.991 -3.943 -5.243 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.165 -3.351 -2.980 1.00 0.00 H new ATOM 509 N SER A 39 -4.466 2.263 -7.725 1.00 0.00 N ATOM 510 CA SER A 39 -3.636 2.943 -8.757 1.00 0.00 C ATOM 511 C SER A 39 -3.101 1.894 -9.732 1.00 0.00 C ATOM 512 O SER A 39 -3.577 0.779 -9.777 1.00 0.00 O ATOM 513 CB SER A 39 -2.465 3.658 -8.081 1.00 0.00 C ATOM 514 OG SER A 39 -2.604 3.554 -6.669 1.00 0.00 O ATOM 0 H SER A 39 -4.178 2.422 -6.760 1.00 0.00 H new ATOM 0 HA SER A 39 -4.240 3.674 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.521 3.215 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.442 4.706 -8.380 1.00 0.00 H new ATOM 0 HG SER A 39 -2.465 2.624 -6.394 1.00 0.00 H new ATOM 520 N ARG A 40 -2.114 2.234 -10.513 1.00 0.00 N ATOM 521 CA ARG A 40 -1.560 1.241 -11.475 1.00 0.00 C ATOM 522 C ARG A 40 -0.151 0.844 -11.031 1.00 0.00 C ATOM 523 O ARG A 40 0.545 1.608 -10.393 1.00 0.00 O ATOM 524 CB ARG A 40 -1.503 1.858 -12.874 1.00 0.00 C ATOM 525 CG ARG A 40 -2.908 1.879 -13.480 1.00 0.00 C ATOM 526 CD ARG A 40 -3.467 3.302 -13.423 1.00 0.00 C ATOM 527 NE ARG A 40 -4.876 3.265 -12.941 1.00 0.00 N ATOM 528 CZ ARG A 40 -5.572 4.367 -12.884 1.00 0.00 C ATOM 529 NH1 ARG A 40 -5.864 5.010 -13.980 1.00 0.00 N ATOM 530 NH2 ARG A 40 -5.974 4.826 -11.730 1.00 0.00 N ATOM 0 H ARG A 40 -1.669 3.152 -10.527 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.199 0.358 -11.499 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.103 2.871 -12.820 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.830 1.283 -13.510 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.876 1.531 -14.512 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.561 1.198 -12.934 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.860 3.916 -12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.421 3.762 -14.410 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.296 2.380 -12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.548 4.651 -14.881 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.408 5.872 -13.936 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.744 4.323 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.518 5.688 -11.685 1.00 0.00 H new ATOM 544 N ALA A 41 0.276 -0.345 -11.360 1.00 0.00 N ATOM 545 CA ALA A 41 1.639 -0.781 -10.952 1.00 0.00 C ATOM 546 C ALA A 41 2.643 0.307 -11.318 1.00 0.00 C ATOM 547 O ALA A 41 2.295 1.314 -11.902 1.00 0.00 O ATOM 548 CB ALA A 41 2.001 -2.080 -11.671 1.00 0.00 C ATOM 0 H ALA A 41 -0.260 -1.031 -11.892 1.00 0.00 H new ATOM 0 HA ALA A 41 1.662 -0.952 -9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.000 -2.396 -11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.280 -2.854 -11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.982 -1.917 -12.749 1.00 0.00 H new ATOM 554 N GLY A 42 3.886 0.125 -10.974 1.00 0.00 N ATOM 555 CA GLY A 42 4.892 1.169 -11.299 1.00 0.00 C ATOM 556 C GLY A 42 4.628 2.388 -10.418 1.00 0.00 C ATOM 557 O GLY A 42 4.954 3.502 -10.772 1.00 0.00 O ATOM 0 H GLY A 42 4.246 -0.695 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.900 0.790 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.828 1.442 -12.352 1.00 0.00 H new ATOM 561 N LYS A 43 4.024 2.188 -9.275 1.00 0.00 N ATOM 562 CA LYS A 43 3.731 3.350 -8.387 1.00 0.00 C ATOM 563 C LYS A 43 4.670 3.331 -7.179 1.00 0.00 C ATOM 564 O LYS A 43 4.650 2.421 -6.377 1.00 0.00 O ATOM 565 CB LYS A 43 2.279 3.273 -7.911 1.00 0.00 C ATOM 566 CG LYS A 43 1.970 4.462 -7.000 1.00 0.00 C ATOM 567 CD LYS A 43 1.857 5.736 -7.840 1.00 0.00 C ATOM 568 CE LYS A 43 0.806 6.661 -7.223 1.00 0.00 C ATOM 569 NZ LYS A 43 1.381 8.025 -7.054 1.00 0.00 N ATOM 0 H LYS A 43 3.724 1.279 -8.922 1.00 0.00 H new ATOM 0 HA LYS A 43 3.884 4.275 -8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.605 3.274 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.111 2.339 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.040 4.287 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.756 4.575 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.821 6.242 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.581 5.486 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.076 6.703 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.483 6.269 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.611 8.720 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.957 8.054 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.978 8.254 -7.874 1.00 0.00 H new ATOM 583 N ILE A 44 5.489 4.336 -7.042 1.00 0.00 N ATOM 584 CA ILE A 44 6.427 4.383 -5.886 1.00 0.00 C ATOM 585 C ILE A 44 5.627 4.506 -4.588 1.00 0.00 C ATOM 586 O ILE A 44 4.845 5.421 -4.416 1.00 0.00 O ATOM 587 CB ILE A 44 7.351 5.595 -6.036 1.00 0.00 C ATOM 588 CG1 ILE A 44 8.181 5.776 -4.761 1.00 0.00 C ATOM 589 CG2 ILE A 44 6.508 6.848 -6.276 1.00 0.00 C ATOM 590 CD1 ILE A 44 9.390 4.842 -4.802 1.00 0.00 C ATOM 0 H ILE A 44 5.549 5.128 -7.682 1.00 0.00 H new ATOM 0 HA ILE A 44 7.023 3.471 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 44 8.021 5.435 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.511 6.811 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.571 5.560 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.163 7.712 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.921 6.723 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.838 7.003 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.980 4.971 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.049 3.809 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.004 5.079 -5.671 1.00 0.00 H new ATOM 602 N CYS A 45 5.815 3.597 -3.670 1.00 0.00 N ATOM 603 CA CYS A 45 5.062 3.676 -2.385 1.00 0.00 C ATOM 604 C CYS A 45 6.027 4.000 -1.242 1.00 0.00 C ATOM 605 O CYS A 45 5.623 4.436 -0.183 1.00 0.00 O ATOM 606 CB CYS A 45 4.365 2.342 -2.105 1.00 0.00 C ATOM 607 SG CYS A 45 5.479 0.972 -2.497 1.00 0.00 S ATOM 0 H CYS A 45 6.454 2.807 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 45 4.311 4.463 -2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.066 2.291 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.456 2.265 -2.701 1.00 0.00 H new ATOM 612 N ARG A 46 7.300 3.796 -1.449 1.00 0.00 N ATOM 613 CA ARG A 46 8.287 4.100 -0.375 1.00 0.00 C ATOM 614 C ARG A 46 9.622 4.488 -1.010 1.00 0.00 C ATOM 615 O ARG A 46 9.937 4.082 -2.111 1.00 0.00 O ATOM 616 CB ARG A 46 8.479 2.867 0.511 1.00 0.00 C ATOM 617 CG ARG A 46 7.502 2.929 1.689 1.00 0.00 C ATOM 618 CD ARG A 46 7.946 1.945 2.773 1.00 0.00 C ATOM 619 NE ARG A 46 7.247 2.263 4.050 1.00 0.00 N ATOM 620 CZ ARG A 46 7.514 1.576 5.128 1.00 0.00 C ATOM 621 NH1 ARG A 46 7.622 0.277 5.065 1.00 0.00 N ATOM 622 NH2 ARG A 46 7.674 2.188 6.269 1.00 0.00 N ATOM 0 H ARG A 46 7.698 3.432 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 46 7.919 4.926 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.310 1.959 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.505 2.825 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.467 3.941 2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.494 2.685 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.720 0.924 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.025 2.004 2.913 1.00 0.00 H new ATOM 0 HE ARG A 46 6.560 3.017 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.498 -0.202 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.831 -0.259 5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.591 3.203 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.883 1.651 7.111 1.00 0.00 H new ATOM 636 N ILE A 47 10.409 5.275 -0.330 1.00 0.00 N ATOM 637 CA ILE A 47 11.720 5.687 -0.905 1.00 0.00 C ATOM 638 C ILE A 47 12.841 5.387 0.102 1.00 0.00 C ATOM 639 O ILE A 47 12.811 5.874 1.215 1.00 0.00 O ATOM 640 CB ILE A 47 11.683 7.190 -1.208 1.00 0.00 C ATOM 641 CG1 ILE A 47 12.803 7.540 -2.189 1.00 0.00 C ATOM 642 CG2 ILE A 47 11.869 7.992 0.083 1.00 0.00 C ATOM 643 CD1 ILE A 47 12.515 8.902 -2.822 1.00 0.00 C ATOM 0 H ILE A 47 10.202 5.650 0.596 1.00 0.00 H new ATOM 0 HA ILE A 47 11.910 5.133 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 47 10.717 7.440 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.762 7.563 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.877 6.775 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.841 9.058 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.068 7.748 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.830 7.741 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.312 9.154 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.564 8.862 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.463 9.662 -2.042 1.00 0.00 H new ATOM 655 N PRO A 48 13.799 4.594 -0.316 1.00 0.00 N ATOM 656 CA PRO A 48 14.940 4.219 0.537 1.00 0.00 C ATOM 657 C PRO A 48 15.956 5.364 0.601 1.00 0.00 C ATOM 658 O PRO A 48 16.118 6.117 -0.338 1.00 0.00 O ATOM 659 CB PRO A 48 15.532 2.998 -0.171 1.00 0.00 C ATOM 660 CG PRO A 48 15.074 3.083 -1.645 1.00 0.00 C ATOM 661 CD PRO A 48 13.838 4.002 -1.670 1.00 0.00 C ATOM 0 HA PRO A 48 14.656 4.008 1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 48 16.620 2.999 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 48 15.184 2.074 0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.868 3.484 -2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.829 2.094 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.928 4.770 -2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.929 3.441 -1.886 1.00 0.00 H new ATOM 669 N ARG A 49 16.640 5.500 1.704 1.00 0.00 N ATOM 670 CA ARG A 49 17.640 6.597 1.831 1.00 0.00 C ATOM 671 C ARG A 49 18.837 6.301 0.924 1.00 0.00 C ATOM 672 O ARG A 49 19.680 7.147 0.698 1.00 0.00 O ATOM 673 CB ARG A 49 18.111 6.690 3.284 1.00 0.00 C ATOM 674 CG ARG A 49 17.667 8.027 3.881 1.00 0.00 C ATOM 675 CD ARG A 49 16.139 8.100 3.891 1.00 0.00 C ATOM 676 NE ARG A 49 15.652 8.106 5.298 1.00 0.00 N ATOM 677 CZ ARG A 49 14.644 7.352 5.643 1.00 0.00 C ATOM 678 NH1 ARG A 49 14.843 6.101 5.961 1.00 0.00 N ATOM 679 NH2 ARG A 49 13.438 7.848 5.670 1.00 0.00 N ATOM 0 H ARG A 49 16.549 4.899 2.523 1.00 0.00 H new ATOM 0 HA ARG A 49 17.185 7.542 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.698 5.865 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.196 6.601 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.053 8.131 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.077 8.852 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.804 9.000 3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.720 7.249 3.353 1.00 0.00 H new ATOM 0 HE ARG A 49 16.106 8.699 5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.786 5.713 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.055 5.512 6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.283 8.825 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.650 7.259 5.940 1.00 0.00 H new ATOM 693 N GLY A 50 18.918 5.109 0.397 1.00 0.00 N ATOM 694 CA GLY A 50 20.060 4.768 -0.499 1.00 0.00 C ATOM 695 C GLY A 50 20.647 3.412 -0.099 1.00 0.00 C ATOM 696 O GLY A 50 21.492 3.324 0.767 1.00 0.00 O ATOM 0 H GLY A 50 18.244 4.358 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.724 4.738 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.827 5.540 -0.435 1.00 0.00 H new ATOM 700 N GLU A 51 20.206 2.356 -0.731 1.00 0.00 N ATOM 701 CA GLU A 51 20.737 1.001 -0.399 1.00 0.00 C ATOM 702 C GLU A 51 19.836 -0.060 -1.029 1.00 0.00 C ATOM 703 O GLU A 51 20.262 -1.156 -1.332 1.00 0.00 O ATOM 704 CB GLU A 51 20.764 0.811 1.121 1.00 0.00 C ATOM 705 CG GLU A 51 20.984 -0.668 1.451 1.00 0.00 C ATOM 706 CD GLU A 51 20.978 -0.862 2.968 1.00 0.00 C ATOM 707 OE1 GLU A 51 19.898 -0.913 3.533 1.00 0.00 O ATOM 708 OE2 GLU A 51 22.052 -0.959 3.538 1.00 0.00 O ATOM 0 H GLU A 51 19.498 2.374 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 51 21.750 0.903 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.560 1.414 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.826 1.156 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.201 -1.273 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.933 -1.007 1.035 1.00 0.00 H new ATOM 715 N MET A 52 18.591 0.261 -1.222 1.00 0.00 N ATOM 716 CA MET A 52 17.645 -0.719 -1.827 1.00 0.00 C ATOM 717 C MET A 52 16.912 -0.045 -2.998 1.00 0.00 C ATOM 718 O MET A 52 16.987 1.157 -3.157 1.00 0.00 O ATOM 719 CB MET A 52 16.653 -1.185 -0.747 1.00 0.00 C ATOM 720 CG MET A 52 15.419 -0.275 -0.720 1.00 0.00 C ATOM 721 SD MET A 52 14.611 -0.399 0.894 1.00 0.00 S ATOM 722 CE MET A 52 12.918 -0.564 0.282 1.00 0.00 C ATOM 0 H MET A 52 18.183 1.165 -0.986 1.00 0.00 H new ATOM 0 HA MET A 52 18.179 -1.590 -2.207 1.00 0.00 H new ATOM 0 HB2 MET A 52 16.349 -2.213 -0.944 1.00 0.00 H new ATOM 0 HB3 MET A 52 17.139 -1.177 0.229 1.00 0.00 H new ATOM 0 HG2 MET A 52 15.711 0.757 -0.914 1.00 0.00 H new ATOM 0 HG3 MET A 52 14.724 -0.563 -1.509 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.218 -0.286 1.070 1.00 0.00 H new ATOM 0 HE2 MET A 52 12.776 0.092 -0.577 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.738 -1.597 -0.016 1.00 0.00 H new ATOM 732 N PRO A 53 16.228 -0.839 -3.784 1.00 0.00 N ATOM 733 CA PRO A 53 15.477 -0.338 -4.948 1.00 0.00 C ATOM 734 C PRO A 53 14.163 0.310 -4.499 1.00 0.00 C ATOM 735 O PRO A 53 13.541 -0.113 -3.546 1.00 0.00 O ATOM 736 CB PRO A 53 15.227 -1.596 -5.784 1.00 0.00 C ATOM 737 CG PRO A 53 15.347 -2.797 -4.816 1.00 0.00 C ATOM 738 CD PRO A 53 16.136 -2.300 -3.589 1.00 0.00 C ATOM 0 HA PRO A 53 16.009 0.431 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.240 -1.566 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.954 -1.675 -6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.361 -3.157 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 53 15.861 -3.630 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.623 -2.546 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.124 -2.758 -3.539 1.00 0.00 H new ATOM 746 N ASP A 54 13.748 1.344 -5.177 1.00 0.00 N ATOM 747 CA ASP A 54 12.485 2.041 -4.797 1.00 0.00 C ATOM 748 C ASP A 54 11.327 1.045 -4.738 1.00 0.00 C ATOM 749 O ASP A 54 11.275 0.090 -5.488 1.00 0.00 O ATOM 750 CB ASP A 54 12.167 3.110 -5.842 1.00 0.00 C ATOM 751 CG ASP A 54 13.256 4.184 -5.823 1.00 0.00 C ATOM 752 OD1 ASP A 54 13.195 5.047 -4.963 1.00 0.00 O ATOM 753 OD2 ASP A 54 14.134 4.124 -6.669 1.00 0.00 O ATOM 0 H ASP A 54 14.232 1.739 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 54 12.615 2.498 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.104 2.658 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.196 3.559 -5.634 1.00 0.00 H new ATOM 758 N ASP A 55 10.384 1.276 -3.865 1.00 0.00 N ATOM 759 CA ASP A 55 9.215 0.360 -3.772 1.00 0.00 C ATOM 760 C ASP A 55 8.236 0.713 -4.893 1.00 0.00 C ATOM 761 O ASP A 55 8.194 1.834 -5.356 1.00 0.00 O ATOM 762 CB ASP A 55 8.529 0.532 -2.415 1.00 0.00 C ATOM 763 CG ASP A 55 9.538 0.261 -1.297 1.00 0.00 C ATOM 764 OD1 ASP A 55 10.470 1.037 -1.165 1.00 0.00 O ATOM 765 OD2 ASP A 55 9.360 -0.719 -0.592 1.00 0.00 O ATOM 0 H ASP A 55 10.374 2.060 -3.213 1.00 0.00 H new ATOM 0 HA ASP A 55 9.542 -0.675 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.130 1.542 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.685 -0.153 -2.332 1.00 0.00 H new ATOM 770 N ARG A 56 7.462 -0.232 -5.347 1.00 0.00 N ATOM 771 CA ARG A 56 6.510 0.063 -6.455 1.00 0.00 C ATOM 772 C ARG A 56 5.189 -0.664 -6.221 1.00 0.00 C ATOM 773 O ARG A 56 5.148 -1.870 -6.081 1.00 0.00 O ATOM 774 CB ARG A 56 7.126 -0.415 -7.768 1.00 0.00 C ATOM 775 CG ARG A 56 6.561 0.407 -8.921 1.00 0.00 C ATOM 776 CD ARG A 56 7.686 1.207 -9.579 1.00 0.00 C ATOM 777 NE ARG A 56 8.543 0.293 -10.385 1.00 0.00 N ATOM 778 CZ ARG A 56 9.235 0.763 -11.387 1.00 0.00 C ATOM 779 NH1 ARG A 56 9.769 1.950 -11.309 1.00 0.00 N ATOM 780 NH2 ARG A 56 9.392 0.046 -12.466 1.00 0.00 N ATOM 0 H ARG A 56 7.446 -1.192 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 56 6.318 1.135 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.211 -0.314 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.910 -1.472 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.091 -0.250 -9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.787 1.082 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.267 1.986 -10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.285 1.706 -8.817 1.00 0.00 H new ATOM 0 HE ARG A 56 8.589 -0.699 -10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.646 2.510 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.310 2.318 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.974 -0.882 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.933 0.414 -13.249 1.00 0.00 H new ATOM 794 N CYS A 57 4.103 0.059 -6.201 1.00 0.00 N ATOM 795 CA CYS A 57 2.785 -0.599 -6.002 1.00 0.00 C ATOM 796 C CYS A 57 2.505 -1.471 -7.218 1.00 0.00 C ATOM 797 O CYS A 57 2.957 -1.178 -8.311 1.00 0.00 O ATOM 798 CB CYS A 57 1.683 0.453 -5.866 1.00 0.00 C ATOM 799 SG CYS A 57 2.293 1.853 -4.895 1.00 0.00 S ATOM 0 H CYS A 57 4.073 1.072 -6.313 1.00 0.00 H new ATOM 0 HA CYS A 57 2.804 -1.200 -5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.367 0.792 -6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.808 0.017 -5.384 1.00 0.00 H new ATOM 804 N THR A 58 1.778 -2.540 -7.037 1.00 0.00 N ATOM 805 CA THR A 58 1.476 -3.448 -8.180 1.00 0.00 C ATOM 806 C THR A 58 0.292 -2.908 -8.982 1.00 0.00 C ATOM 807 O THR A 58 -0.117 -3.488 -9.967 1.00 0.00 O ATOM 808 CB THR A 58 1.132 -4.839 -7.645 1.00 0.00 C ATOM 809 OG1 THR A 58 0.111 -4.728 -6.663 1.00 0.00 O ATOM 810 CG2 THR A 58 2.379 -5.470 -7.023 1.00 0.00 C ATOM 0 H THR A 58 1.379 -2.825 -6.143 1.00 0.00 H new ATOM 0 HA THR A 58 2.350 -3.506 -8.829 1.00 0.00 H new ATOM 0 HB THR A 58 0.780 -5.468 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.112 -5.619 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.134 -6.461 -6.642 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.159 -5.555 -7.779 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.734 -4.844 -6.204 1.00 0.00 H new ATOM 818 N GLY A 59 -0.268 -1.805 -8.569 1.00 0.00 N ATOM 819 CA GLY A 59 -1.428 -1.242 -9.316 1.00 0.00 C ATOM 820 C GLY A 59 -2.719 -1.879 -8.797 1.00 0.00 C ATOM 821 O GLY A 59 -3.807 -1.408 -9.060 1.00 0.00 O ATOM 0 H GLY A 59 0.025 -1.271 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.466 -0.160 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.317 -1.435 -10.383 1.00 0.00 H new ATOM 825 N GLN A 60 -2.606 -2.945 -8.058 1.00 0.00 N ATOM 826 CA GLN A 60 -3.825 -3.608 -7.518 1.00 0.00 C ATOM 827 C GLN A 60 -3.774 -3.574 -5.992 1.00 0.00 C ATOM 828 O GLN A 60 -4.754 -3.835 -5.321 1.00 0.00 O ATOM 829 CB GLN A 60 -3.873 -5.060 -7.996 1.00 0.00 C ATOM 830 CG GLN A 60 -4.352 -5.103 -9.448 1.00 0.00 C ATOM 831 CD GLN A 60 -3.743 -6.318 -10.148 1.00 0.00 C ATOM 832 OE1 GLN A 60 -2.684 -6.226 -10.735 1.00 0.00 O ATOM 833 NE2 GLN A 60 -4.371 -7.461 -10.109 1.00 0.00 N ATOM 0 H GLN A 60 -1.722 -3.387 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.715 -3.086 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.885 -5.514 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.544 -5.641 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.440 -5.157 -9.482 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.062 -4.188 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.261 -7.538 -9.616 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.972 -8.278 -10.572 1.00 0.00 H new ATOM 842 N SER A 61 -2.637 -3.255 -5.437 1.00 0.00 N ATOM 843 CA SER A 61 -2.520 -3.206 -3.952 1.00 0.00 C ATOM 844 C SER A 61 -2.602 -1.752 -3.478 1.00 0.00 C ATOM 845 O SER A 61 -1.710 -0.963 -3.715 1.00 0.00 O ATOM 846 CB SER A 61 -1.179 -3.804 -3.525 1.00 0.00 C ATOM 847 OG SER A 61 -0.974 -3.559 -2.141 1.00 0.00 O ATOM 0 H SER A 61 -1.784 -3.026 -5.947 1.00 0.00 H new ATOM 0 HA SER A 61 -3.333 -3.780 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.167 -4.876 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.370 -3.364 -4.108 1.00 0.00 H new ATOM 0 HG SER A 61 -0.177 -3.002 -2.022 1.00 0.00 H new ATOM 853 N ALA A 62 -3.663 -1.395 -2.805 1.00 0.00 N ATOM 854 CA ALA A 62 -3.791 0.005 -2.313 1.00 0.00 C ATOM 855 C ALA A 62 -2.677 0.283 -1.303 1.00 0.00 C ATOM 856 O ALA A 62 -2.264 1.409 -1.112 1.00 0.00 O ATOM 857 CB ALA A 62 -5.151 0.189 -1.636 1.00 0.00 C ATOM 0 H ALA A 62 -4.443 -2.011 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.710 0.697 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.243 1.214 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.945 -0.017 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.235 -0.499 -0.795 1.00 0.00 H new ATOM 863 N ASP A 63 -2.187 -0.740 -0.660 1.00 0.00 N ATOM 864 CA ASP A 63 -1.096 -0.544 0.335 1.00 0.00 C ATOM 865 C ASP A 63 0.232 -0.985 -0.283 1.00 0.00 C ATOM 866 O ASP A 63 0.269 -1.548 -1.359 1.00 0.00 O ATOM 867 CB ASP A 63 -1.385 -1.384 1.582 1.00 0.00 C ATOM 868 CG ASP A 63 -2.718 -0.946 2.192 1.00 0.00 C ATOM 869 OD1 ASP A 63 -3.050 0.220 2.064 1.00 0.00 O ATOM 870 OD2 ASP A 63 -3.384 -1.786 2.777 1.00 0.00 O ATOM 0 H ASP A 63 -2.495 -1.705 -0.781 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.038 0.508 0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.422 -2.442 1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.582 -1.263 2.309 1.00 0.00 H new ATOM 875 N CYS A 64 1.324 -0.732 0.383 1.00 0.00 N ATOM 876 CA CYS A 64 2.644 -1.138 -0.175 1.00 0.00 C ATOM 877 C CYS A 64 3.312 -2.138 0.766 1.00 0.00 C ATOM 878 O CYS A 64 3.558 -1.839 1.918 1.00 0.00 O ATOM 879 CB CYS A 64 3.528 0.097 -0.339 1.00 0.00 C ATOM 880 SG CYS A 64 5.125 -0.389 -1.043 1.00 0.00 S ATOM 0 H CYS A 64 1.360 -0.263 1.288 1.00 0.00 H new ATOM 0 HA CYS A 64 2.501 -1.607 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.039 0.823 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.677 0.581 0.626 1.00 0.00 H new ATOM 885 N PRO A 65 3.576 -3.304 0.238 1.00 0.00 N ATOM 886 CA PRO A 65 4.205 -4.392 0.994 1.00 0.00 C ATOM 887 C PRO A 65 5.720 -4.187 1.080 1.00 0.00 C ATOM 888 O PRO A 65 6.299 -3.430 0.327 1.00 0.00 O ATOM 889 CB PRO A 65 3.869 -5.631 0.165 1.00 0.00 C ATOM 890 CG PRO A 65 3.567 -5.148 -1.269 1.00 0.00 C ATOM 891 CD PRO A 65 3.269 -3.648 -1.168 1.00 0.00 C ATOM 0 HA PRO A 65 3.855 -4.459 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.702 -6.334 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.010 -6.154 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.416 -5.332 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.716 -5.685 -1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.884 -3.073 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.229 -3.433 -1.411 1.00 0.00 H new ATOM 899 N ARG A 66 6.367 -4.862 1.993 1.00 0.00 N ATOM 900 CA ARG A 66 7.843 -4.711 2.127 1.00 0.00 C ATOM 901 C ARG A 66 8.540 -5.731 1.225 1.00 0.00 C ATOM 902 O ARG A 66 8.553 -6.914 1.503 1.00 0.00 O ATOM 903 CB ARG A 66 8.252 -4.956 3.581 1.00 0.00 C ATOM 904 CG ARG A 66 8.384 -3.617 4.308 1.00 0.00 C ATOM 905 CD ARG A 66 9.072 -3.836 5.658 1.00 0.00 C ATOM 906 NE ARG A 66 10.494 -4.217 5.434 1.00 0.00 N ATOM 907 CZ ARG A 66 11.275 -4.457 6.453 1.00 0.00 C ATOM 908 NH1 ARG A 66 11.474 -3.535 7.357 1.00 0.00 N ATOM 909 NH2 ARG A 66 11.859 -5.619 6.567 1.00 0.00 N ATOM 0 H ARG A 66 5.936 -5.511 2.651 1.00 0.00 H new ATOM 0 HA ARG A 66 8.134 -3.703 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.509 -5.580 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.198 -5.496 3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.961 -2.918 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.400 -3.173 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.018 -2.927 6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.559 -4.618 6.217 1.00 0.00 H new ATOM 0 HE ARG A 66 10.858 -4.291 4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.019 -2.626 7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.084 -3.724 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.705 -6.339 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.469 -5.807 7.362 1.00 0.00 H new