USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 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 Set 1.1: A 58 THR OG1 : rot -65:sc= 0.783 USER MOD Set 1.2: A 61 SER OG : rot -74:sc= 0.908 USER MOD Single : A 7 SER OG : rot -46:sc= 0.00157 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.82! C(o=-1.8!,f=-17!) USER MOD Single : A 18 THR OG1 : rot -24:sc= 0.435 USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.15 (180deg=0.039) USER MOD Single : A 26 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.14) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.882! C(o=-2!,f=-0.88!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 99:sc= 0.11 USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= -0.102 (180deg=-0.911) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -11.280 -8.987 6.037 1.00 0.00 N ATOM 33 CA GLU A 3 -12.548 -8.473 6.633 1.00 0.00 C ATOM 34 C GLU A 3 -12.414 -6.977 6.922 1.00 0.00 C ATOM 35 O GLU A 3 -13.370 -6.322 7.287 1.00 0.00 O ATOM 36 CB GLU A 3 -12.842 -9.223 7.935 1.00 0.00 C ATOM 37 CG GLU A 3 -14.355 -9.384 8.104 1.00 0.00 C ATOM 38 CD GLU A 3 -14.769 -10.797 7.688 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.420 -11.728 8.396 1.00 0.00 O ATOM 40 OE2 GLU A 3 -15.428 -10.924 6.670 1.00 0.00 O ATOM 0 HA GLU A 3 -13.366 -8.631 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.361 -10.201 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.427 -8.677 8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.637 -9.202 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.880 -8.646 7.497 1.00 0.00 H new ATOM 47 N CYS A 4 -11.243 -6.427 6.757 1.00 0.00 N ATOM 48 CA CYS A 4 -11.071 -4.972 7.019 1.00 0.00 C ATOM 49 C CYS A 4 -10.252 -4.344 5.891 1.00 0.00 C ATOM 50 O CYS A 4 -9.038 -4.399 5.886 1.00 0.00 O ATOM 51 CB CYS A 4 -10.348 -4.762 8.352 1.00 0.00 C ATOM 52 SG CYS A 4 -11.560 -4.432 9.656 1.00 0.00 S ATOM 0 H CYS A 4 -10.403 -6.919 6.454 1.00 0.00 H new ATOM 0 HA CYS A 4 -12.052 -4.500 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -9.761 -5.646 8.602 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.650 -3.929 8.271 1.00 0.00 H new ATOM 57 N ASP A 5 -10.906 -3.739 4.938 1.00 0.00 N ATOM 58 CA ASP A 5 -10.170 -3.098 3.815 1.00 0.00 C ATOM 59 C ASP A 5 -9.956 -1.622 4.147 1.00 0.00 C ATOM 60 O ASP A 5 -9.686 -0.812 3.282 1.00 0.00 O ATOM 61 CB ASP A 5 -10.990 -3.219 2.529 1.00 0.00 C ATOM 62 CG ASP A 5 -10.163 -3.936 1.460 1.00 0.00 C ATOM 63 OD1 ASP A 5 -10.037 -5.147 1.549 1.00 0.00 O ATOM 64 OD2 ASP A 5 -9.670 -3.262 0.570 1.00 0.00 O ATOM 0 H ASP A 5 -11.922 -3.661 4.890 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.208 -3.591 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.910 -3.771 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.280 -2.229 2.176 1.00 0.00 H new ATOM 69 N CYS A 6 -10.090 -1.267 5.396 1.00 0.00 N ATOM 70 CA CYS A 6 -9.913 0.156 5.789 1.00 0.00 C ATOM 71 C CYS A 6 -9.646 0.239 7.293 1.00 0.00 C ATOM 72 O CYS A 6 -10.427 -0.228 8.098 1.00 0.00 O ATOM 73 CB CYS A 6 -11.192 0.915 5.447 1.00 0.00 C ATOM 74 SG CYS A 6 -11.023 2.659 5.894 1.00 0.00 S ATOM 0 H CYS A 6 -10.315 -1.903 6.161 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.069 0.593 5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.403 0.824 4.382 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.037 0.476 5.978 1.00 0.00 H new ATOM 79 N SER A 7 -8.547 0.826 7.679 1.00 0.00 N ATOM 80 CA SER A 7 -8.232 0.931 9.131 1.00 0.00 C ATOM 81 C SER A 7 -8.575 2.336 9.633 1.00 0.00 C ATOM 82 O SER A 7 -8.315 2.678 10.770 1.00 0.00 O ATOM 83 CB SER A 7 -6.743 0.662 9.348 1.00 0.00 C ATOM 84 OG SER A 7 -6.540 0.178 10.669 1.00 0.00 O ATOM 0 H SER A 7 -7.855 1.237 7.053 1.00 0.00 H new ATOM 0 HA SER A 7 -8.820 0.198 9.683 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.384 -0.068 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.170 1.576 9.191 1.00 0.00 H new ATOM 0 HG SER A 7 -7.038 0.736 11.302 1.00 0.00 H new ATOM 90 N SER A 8 -9.157 3.154 8.798 1.00 0.00 N ATOM 91 CA SER A 8 -9.512 4.535 9.235 1.00 0.00 C ATOM 92 C SER A 8 -11.040 4.664 9.318 1.00 0.00 C ATOM 93 O SER A 8 -11.733 4.357 8.367 1.00 0.00 O ATOM 94 CB SER A 8 -8.971 5.544 8.221 1.00 0.00 C ATOM 95 OG SER A 8 -7.928 4.940 7.467 1.00 0.00 O ATOM 0 H SER A 8 -9.402 2.926 7.834 1.00 0.00 H new ATOM 0 HA SER A 8 -9.075 4.733 10.214 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.770 5.874 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.597 6.429 8.736 1.00 0.00 H new ATOM 0 HG SER A 8 -7.580 5.584 6.815 1.00 0.00 H new ATOM 101 N PRO A 9 -11.521 5.111 10.452 1.00 0.00 N ATOM 102 CA PRO A 9 -12.968 5.286 10.682 1.00 0.00 C ATOM 103 C PRO A 9 -13.469 6.576 10.025 1.00 0.00 C ATOM 104 O PRO A 9 -14.546 6.619 9.466 1.00 0.00 O ATOM 105 CB PRO A 9 -13.079 5.376 12.206 1.00 0.00 C ATOM 106 CG PRO A 9 -11.688 5.820 12.720 1.00 0.00 C ATOM 107 CD PRO A 9 -10.678 5.481 11.608 1.00 0.00 C ATOM 0 HA PRO A 9 -13.567 4.480 10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.847 6.092 12.498 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.362 4.413 12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.679 6.888 12.939 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.434 5.303 13.645 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.038 6.333 11.378 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.023 4.661 11.902 1.00 0.00 H new ATOM 115 N GLU A 10 -12.700 7.628 10.093 1.00 0.00 N ATOM 116 CA GLU A 10 -13.138 8.912 9.477 1.00 0.00 C ATOM 117 C GLU A 10 -13.079 8.801 7.952 1.00 0.00 C ATOM 118 O GLU A 10 -13.712 9.555 7.240 1.00 0.00 O ATOM 119 CB GLU A 10 -12.215 10.041 9.943 1.00 0.00 C ATOM 120 CG GLU A 10 -12.967 10.941 10.924 1.00 0.00 C ATOM 121 CD GLU A 10 -13.504 10.097 12.081 1.00 0.00 C ATOM 122 OE1 GLU A 10 -14.522 9.450 11.894 1.00 0.00 O ATOM 123 OE2 GLU A 10 -12.889 10.111 13.134 1.00 0.00 O ATOM 0 H GLU A 10 -11.788 7.654 10.548 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.162 9.127 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.327 9.626 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.874 10.623 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.303 11.718 11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.789 11.445 10.415 1.00 0.00 H new ATOM 130 N ASN A 11 -12.322 7.868 7.444 1.00 0.00 N ATOM 131 CA ASN A 11 -12.223 7.711 5.966 1.00 0.00 C ATOM 132 C ASN A 11 -13.590 7.299 5.401 1.00 0.00 C ATOM 133 O ASN A 11 -14.135 6.287 5.792 1.00 0.00 O ATOM 134 CB ASN A 11 -11.196 6.626 5.644 1.00 0.00 C ATOM 135 CG ASN A 11 -11.169 6.375 4.136 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.581 7.215 3.361 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.698 5.246 3.685 1.00 0.00 N ATOM 0 H ASN A 11 -11.768 7.207 7.989 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.915 8.656 5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.209 6.932 5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.447 5.706 6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.675 5.068 2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.352 4.541 4.336 1.00 0.00 H new ATOM 144 N PRO A 12 -14.108 8.097 4.497 1.00 0.00 N ATOM 145 CA PRO A 12 -15.413 7.834 3.866 1.00 0.00 C ATOM 146 C PRO A 12 -15.285 6.772 2.766 1.00 0.00 C ATOM 147 O PRO A 12 -16.270 6.288 2.245 1.00 0.00 O ATOM 148 CB PRO A 12 -15.802 9.188 3.268 1.00 0.00 C ATOM 149 CG PRO A 12 -14.485 9.981 3.088 1.00 0.00 C ATOM 150 CD PRO A 12 -13.448 9.331 4.023 1.00 0.00 C ATOM 0 HA PRO A 12 -16.153 7.450 4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.311 9.059 2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.489 9.720 3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.149 9.944 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.628 11.032 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.521 9.109 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.192 9.990 4.853 1.00 0.00 H new ATOM 158 N CYS A 13 -14.083 6.406 2.404 1.00 0.00 N ATOM 159 CA CYS A 13 -13.912 5.381 1.335 1.00 0.00 C ATOM 160 C CYS A 13 -14.201 3.990 1.898 1.00 0.00 C ATOM 161 O CYS A 13 -14.083 2.997 1.207 1.00 0.00 O ATOM 162 CB CYS A 13 -12.478 5.415 0.800 1.00 0.00 C ATOM 163 SG CYS A 13 -12.495 4.994 -0.956 1.00 0.00 S ATOM 0 H CYS A 13 -13.217 6.771 2.801 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.608 5.601 0.526 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.045 6.405 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.854 4.710 1.350 1.00 0.00 H new ATOM 168 N CYS A 14 -14.570 3.902 3.144 1.00 0.00 N ATOM 169 CA CYS A 14 -14.852 2.563 3.730 1.00 0.00 C ATOM 170 C CYS A 14 -16.044 2.643 4.679 1.00 0.00 C ATOM 171 O CYS A 14 -16.493 3.710 5.049 1.00 0.00 O ATOM 172 CB CYS A 14 -13.625 2.066 4.495 1.00 0.00 C ATOM 173 SG CYS A 14 -12.768 3.462 5.272 1.00 0.00 S ATOM 0 H CYS A 14 -14.688 4.692 3.778 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.085 1.869 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.928 1.346 5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.949 1.547 3.816 1.00 0.00 H new ATOM 178 N ASP A 15 -16.558 1.512 5.073 1.00 0.00 N ATOM 179 CA ASP A 15 -17.721 1.499 5.996 1.00 0.00 C ATOM 180 C ASP A 15 -17.236 1.184 7.411 1.00 0.00 C ATOM 181 O ASP A 15 -16.541 0.211 7.636 1.00 0.00 O ATOM 182 CB ASP A 15 -18.708 0.423 5.547 1.00 0.00 C ATOM 183 CG ASP A 15 -20.088 0.714 6.138 1.00 0.00 C ATOM 184 OD1 ASP A 15 -20.344 1.865 6.455 1.00 0.00 O ATOM 185 OD2 ASP A 15 -20.866 -0.216 6.264 1.00 0.00 O ATOM 0 H ASP A 15 -16.219 0.592 4.792 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.212 2.472 5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.765 0.399 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.363 -0.559 5.870 1.00 0.00 H new ATOM 190 N ALA A 16 -17.595 1.999 8.365 1.00 0.00 N ATOM 191 CA ALA A 16 -17.154 1.748 9.765 1.00 0.00 C ATOM 192 C ALA A 16 -17.990 0.616 10.367 1.00 0.00 C ATOM 193 O ALA A 16 -17.639 0.043 11.379 1.00 0.00 O ATOM 194 CB ALA A 16 -17.343 3.019 10.595 1.00 0.00 C ATOM 0 H ALA A 16 -18.175 2.828 8.235 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.101 1.465 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.020 2.836 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.748 3.825 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.395 3.303 10.591 1.00 0.00 H new ATOM 200 N ALA A 17 -19.091 0.286 9.750 1.00 0.00 N ATOM 201 CA ALA A 17 -19.944 -0.812 10.286 1.00 0.00 C ATOM 202 C ALA A 17 -19.333 -2.159 9.896 1.00 0.00 C ATOM 203 O ALA A 17 -19.267 -3.074 10.692 1.00 0.00 O ATOM 204 CB ALA A 17 -21.353 -0.700 9.700 1.00 0.00 C ATOM 0 H ALA A 17 -19.437 0.729 8.899 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.000 -0.735 11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -21.975 -1.504 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.786 0.262 9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.303 -0.778 8.614 1.00 0.00 H new ATOM 210 N THR A 18 -18.881 -2.284 8.679 1.00 0.00 N ATOM 211 CA THR A 18 -18.267 -3.569 8.242 1.00 0.00 C ATOM 212 C THR A 18 -16.748 -3.397 8.143 1.00 0.00 C ATOM 213 O THR A 18 -16.021 -4.346 7.929 1.00 0.00 O ATOM 214 CB THR A 18 -18.832 -3.972 6.878 1.00 0.00 C ATOM 215 OG1 THR A 18 -18.213 -5.176 6.448 1.00 0.00 O ATOM 216 CG2 THR A 18 -18.559 -2.865 5.860 1.00 0.00 C ATOM 0 H THR A 18 -18.910 -1.553 7.969 1.00 0.00 H new ATOM 0 HA THR A 18 -18.497 -4.349 8.968 1.00 0.00 H new ATOM 0 HB THR A 18 -19.908 -4.125 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.341 -5.270 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.963 -3.155 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.035 -1.942 6.190 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.484 -2.707 5.773 1.00 0.00 H new ATOM 224 N CYS A 19 -16.263 -2.194 8.304 1.00 0.00 N ATOM 225 CA CYS A 19 -14.791 -1.970 8.227 1.00 0.00 C ATOM 226 C CYS A 19 -14.288 -2.349 6.831 1.00 0.00 C ATOM 227 O CYS A 19 -13.231 -2.916 6.674 1.00 0.00 O ATOM 228 CB CYS A 19 -14.101 -2.840 9.283 1.00 0.00 C ATOM 229 SG CYS A 19 -12.306 -2.609 9.206 1.00 0.00 S ATOM 0 H CYS A 19 -16.821 -1.360 8.485 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.564 -0.920 8.413 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.467 -2.578 10.276 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.348 -3.889 9.119 1.00 0.00 H new ATOM 234 N LYS A 20 -15.035 -2.042 5.809 1.00 0.00 N ATOM 235 CA LYS A 20 -14.579 -2.400 4.435 1.00 0.00 C ATOM 236 C LYS A 20 -14.974 -1.292 3.454 1.00 0.00 C ATOM 237 O LYS A 20 -15.676 -0.364 3.804 1.00 0.00 O ATOM 238 CB LYS A 20 -15.235 -3.715 4.010 1.00 0.00 C ATOM 239 CG LYS A 20 -14.482 -4.900 4.619 1.00 0.00 C ATOM 240 CD LYS A 20 -14.338 -6.001 3.568 1.00 0.00 C ATOM 241 CE LYS A 20 -13.118 -6.863 3.894 1.00 0.00 C ATOM 242 NZ LYS A 20 -12.286 -7.025 2.668 1.00 0.00 N ATOM 0 H LYS A 20 -15.934 -1.563 5.862 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.495 -2.513 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.276 -3.732 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.236 -3.795 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.499 -4.582 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.019 -5.279 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.237 -6.618 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.230 -5.560 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.531 -6.398 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.436 -7.838 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.754 -7.917 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.902 -7.041 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.620 -6.230 2.593 1.00 0.00 H new ATOM 256 N LEU A 21 -14.532 -1.379 2.227 1.00 0.00 N ATOM 257 CA LEU A 21 -14.887 -0.327 1.233 1.00 0.00 C ATOM 258 C LEU A 21 -16.405 -0.160 1.191 1.00 0.00 C ATOM 259 O LEU A 21 -17.142 -1.110 1.017 1.00 0.00 O ATOM 260 CB LEU A 21 -14.387 -0.732 -0.153 1.00 0.00 C ATOM 261 CG LEU A 21 -12.974 -0.192 -0.363 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.029 -1.351 -0.675 1.00 0.00 C ATOM 263 CD2 LEU A 21 -12.975 0.795 -1.532 1.00 0.00 C ATOM 0 H LEU A 21 -13.942 -2.132 1.872 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.420 0.613 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.391 -1.818 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.055 -0.341 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.640 0.316 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.020 -0.967 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.029 -2.055 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.362 -1.859 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.967 1.181 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.308 0.287 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.651 1.621 -1.310 1.00 0.00 H new ATOM 275 N ARG A 22 -16.879 1.041 1.360 1.00 0.00 N ATOM 276 CA ARG A 22 -18.353 1.269 1.343 1.00 0.00 C ATOM 277 C ARG A 22 -18.834 1.630 -0.077 1.00 0.00 C ATOM 278 O ARG A 22 -19.815 1.084 -0.540 1.00 0.00 O ATOM 279 CB ARG A 22 -18.714 2.389 2.332 1.00 0.00 C ATOM 280 CG ARG A 22 -20.093 2.967 1.996 1.00 0.00 C ATOM 281 CD ARG A 22 -21.117 1.833 1.905 1.00 0.00 C ATOM 282 NE ARG A 22 -22.400 2.274 2.520 1.00 0.00 N ATOM 283 CZ ARG A 22 -22.876 1.643 3.558 1.00 0.00 C ATOM 284 NH1 ARG A 22 -22.337 1.819 4.732 1.00 0.00 N ATOM 285 NH2 ARG A 22 -23.893 0.836 3.419 1.00 0.00 N ATOM 0 H ARG A 22 -16.312 1.875 1.509 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.854 0.349 1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.713 2.000 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.962 3.177 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.395 3.682 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.051 3.509 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.277 1.555 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.741 0.947 2.417 1.00 0.00 H new ATOM 0 HE ARG A 22 -22.906 3.069 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.543 2.450 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.709 1.326 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -24.314 0.700 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -24.266 0.342 4.229 1.00 0.00 H new ATOM 299 N PRO A 23 -18.149 2.542 -0.727 1.00 0.00 N ATOM 300 CA PRO A 23 -18.519 2.979 -2.085 1.00 0.00 C ATOM 301 C PRO A 23 -18.023 1.977 -3.129 1.00 0.00 C ATOM 302 O PRO A 23 -17.640 0.869 -2.810 1.00 0.00 O ATOM 303 CB PRO A 23 -17.797 4.320 -2.239 1.00 0.00 C ATOM 304 CG PRO A 23 -16.627 4.304 -1.230 1.00 0.00 C ATOM 305 CD PRO A 23 -16.951 3.217 -0.188 1.00 0.00 C ATOM 0 HA PRO A 23 -19.597 3.057 -2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -17.430 4.449 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -18.473 5.151 -2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -15.685 4.087 -1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -16.516 5.277 -0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -16.121 2.520 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -17.146 3.651 0.793 1.00 0.00 H new ATOM 313 N GLY A 24 -18.023 2.362 -4.376 1.00 0.00 N ATOM 314 CA GLY A 24 -17.548 1.437 -5.443 1.00 0.00 C ATOM 315 C GLY A 24 -16.040 1.617 -5.633 1.00 0.00 C ATOM 316 O GLY A 24 -15.481 1.234 -6.641 1.00 0.00 O ATOM 0 H GLY A 24 -18.332 3.278 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.772 0.405 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.071 1.642 -6.377 1.00 0.00 H new ATOM 320 N ALA A 25 -15.379 2.201 -4.670 1.00 0.00 N ATOM 321 CA ALA A 25 -13.908 2.409 -4.791 1.00 0.00 C ATOM 322 C ALA A 25 -13.197 1.055 -4.759 1.00 0.00 C ATOM 323 O ALA A 25 -13.700 0.091 -4.216 1.00 0.00 O ATOM 324 CB ALA A 25 -13.417 3.266 -3.624 1.00 0.00 C ATOM 0 H ALA A 25 -15.795 2.543 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.690 2.914 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.341 3.418 -3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.923 4.231 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.636 2.760 -2.684 1.00 0.00 H new ATOM 330 N GLN A 26 -12.028 0.973 -5.333 1.00 0.00 N ATOM 331 CA GLN A 26 -11.287 -0.320 -5.330 1.00 0.00 C ATOM 332 C GLN A 26 -10.379 -0.381 -4.100 1.00 0.00 C ATOM 333 O GLN A 26 -9.853 -1.419 -3.754 1.00 0.00 O ATOM 334 CB GLN A 26 -10.438 -0.424 -6.598 1.00 0.00 C ATOM 335 CG GLN A 26 -10.814 -1.696 -7.361 1.00 0.00 C ATOM 336 CD GLN A 26 -11.876 -1.368 -8.411 1.00 0.00 C ATOM 337 OE1 GLN A 26 -11.662 -0.537 -9.271 1.00 0.00 O ATOM 338 NE2 GLN A 26 -13.022 -1.991 -8.377 1.00 0.00 N ATOM 0 H GLN A 26 -11.554 1.744 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.996 -1.147 -5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.597 0.451 -7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.379 -0.442 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.931 -2.119 -7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.192 -2.449 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.202 -2.689 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.738 -1.780 -9.072 1.00 0.00 H new ATOM 347 N CYS A 27 -10.198 0.726 -3.434 1.00 0.00 N ATOM 348 CA CYS A 27 -9.331 0.740 -2.224 1.00 0.00 C ATOM 349 C CYS A 27 -9.796 1.857 -1.291 1.00 0.00 C ATOM 350 O CYS A 27 -9.808 3.017 -1.654 1.00 0.00 O ATOM 351 CB CYS A 27 -7.882 0.988 -2.642 1.00 0.00 C ATOM 352 SG CYS A 27 -7.836 2.278 -3.908 1.00 0.00 S ATOM 0 H CYS A 27 -10.615 1.624 -3.677 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.397 -0.218 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.289 1.289 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.440 0.069 -3.027 1.00 0.00 H new ATOM 357 N GLY A 28 -10.192 1.518 -0.097 1.00 0.00 N ATOM 358 CA GLY A 28 -10.668 2.557 0.849 1.00 0.00 C ATOM 359 C GLY A 28 -9.489 3.399 1.334 1.00 0.00 C ATOM 360 O GLY A 28 -9.629 4.573 1.612 1.00 0.00 O ATOM 0 H GLY A 28 -10.206 0.564 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.405 3.195 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.165 2.088 1.698 1.00 0.00 H new ATOM 364 N GLU A 29 -8.327 2.814 1.446 1.00 0.00 N ATOM 365 CA GLU A 29 -7.155 3.598 1.924 1.00 0.00 C ATOM 366 C GLU A 29 -5.852 2.980 1.390 1.00 0.00 C ATOM 367 O GLU A 29 -5.761 2.620 0.234 1.00 0.00 O ATOM 368 CB GLU A 29 -7.157 3.604 3.454 1.00 0.00 C ATOM 369 CG GLU A 29 -6.351 4.801 3.963 1.00 0.00 C ATOM 370 CD GLU A 29 -5.438 4.354 5.107 1.00 0.00 C ATOM 371 OE1 GLU A 29 -4.980 3.224 5.067 1.00 0.00 O ATOM 372 OE2 GLU A 29 -5.213 5.150 6.004 1.00 0.00 O ATOM 0 H GLU A 29 -8.140 1.835 1.229 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.220 4.622 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.180 3.657 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.728 2.676 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.756 5.223 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.024 5.586 4.307 1.00 0.00 H new ATOM 379 N GLY A 30 -4.837 2.871 2.211 1.00 0.00 N ATOM 380 CA GLY A 30 -3.543 2.299 1.733 1.00 0.00 C ATOM 381 C GLY A 30 -2.667 3.449 1.228 1.00 0.00 C ATOM 382 O GLY A 30 -3.086 4.589 1.224 1.00 0.00 O ATOM 0 H GLY A 30 -4.850 3.154 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.042 1.766 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.718 1.577 0.936 1.00 0.00 H new ATOM 386 N LEU A 31 -1.466 3.179 0.788 1.00 0.00 N ATOM 387 CA LEU A 31 -0.619 4.276 0.280 1.00 0.00 C ATOM 388 C LEU A 31 -0.544 4.138 -1.245 1.00 0.00 C ATOM 389 O LEU A 31 -0.050 5.005 -1.938 1.00 0.00 O ATOM 390 CB LEU A 31 0.784 4.209 0.922 1.00 0.00 C ATOM 391 CG LEU A 31 0.880 3.034 1.907 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.320 2.900 2.405 1.00 0.00 C ATOM 393 CD2 LEU A 31 -0.045 3.298 3.098 1.00 0.00 C ATOM 0 H LEU A 31 -1.045 2.250 0.762 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.043 5.246 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.540 4.099 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.995 5.143 1.442 1.00 0.00 H new ATOM 0 HG LEU A 31 0.582 2.113 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.387 2.066 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.982 2.718 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.618 3.820 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.020 2.467 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.258 4.219 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.072 3.397 2.746 1.00 0.00 H new ATOM 405 N CYS A 32 -1.065 3.050 -1.772 1.00 0.00 N ATOM 406 CA CYS A 32 -1.068 2.841 -3.248 1.00 0.00 C ATOM 407 C CYS A 32 -2.419 3.294 -3.800 1.00 0.00 C ATOM 408 O CYS A 32 -2.581 3.512 -4.984 1.00 0.00 O ATOM 409 CB CYS A 32 -0.872 1.354 -3.568 1.00 0.00 C ATOM 410 SG CYS A 32 0.886 0.995 -3.790 1.00 0.00 S ATOM 0 H CYS A 32 -1.490 2.296 -1.233 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.258 3.414 -3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.277 0.744 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.422 1.093 -4.472 1.00 0.00 H new ATOM 415 N CYS A 33 -3.394 3.431 -2.943 1.00 0.00 N ATOM 416 CA CYS A 33 -4.744 3.861 -3.400 1.00 0.00 C ATOM 417 C CYS A 33 -4.707 5.329 -3.828 1.00 0.00 C ATOM 418 O CYS A 33 -4.247 6.188 -3.102 1.00 0.00 O ATOM 419 CB CYS A 33 -5.743 3.691 -2.254 1.00 0.00 C ATOM 420 SG CYS A 33 -7.419 3.962 -2.878 1.00 0.00 S ATOM 0 H CYS A 33 -3.312 3.262 -1.940 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.048 3.249 -4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.658 2.691 -1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.521 4.398 -1.455 1.00 0.00 H new ATOM 425 N GLU A 34 -5.202 5.623 -4.999 1.00 0.00 N ATOM 426 CA GLU A 34 -5.212 7.035 -5.476 1.00 0.00 C ATOM 427 C GLU A 34 -6.650 7.429 -5.816 1.00 0.00 C ATOM 428 O GLU A 34 -7.265 6.861 -6.697 1.00 0.00 O ATOM 429 CB GLU A 34 -4.337 7.164 -6.724 1.00 0.00 C ATOM 430 CG GLU A 34 -3.677 8.544 -6.743 1.00 0.00 C ATOM 431 CD GLU A 34 -3.376 8.948 -8.187 1.00 0.00 C ATOM 432 OE1 GLU A 34 -2.407 8.446 -8.733 1.00 0.00 O ATOM 433 OE2 GLU A 34 -4.118 9.756 -8.723 1.00 0.00 O ATOM 0 H GLU A 34 -5.601 4.944 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.820 7.691 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.575 6.385 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.941 7.025 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.334 9.279 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.756 8.526 -6.160 1.00 0.00 H new ATOM 440 N GLN A 35 -7.200 8.385 -5.120 1.00 0.00 N ATOM 441 CA GLN A 35 -8.603 8.791 -5.405 1.00 0.00 C ATOM 442 C GLN A 35 -9.519 7.594 -5.147 1.00 0.00 C ATOM 443 O GLN A 35 -10.500 7.385 -5.833 1.00 0.00 O ATOM 444 CB GLN A 35 -8.727 9.230 -6.867 1.00 0.00 C ATOM 445 CG GLN A 35 -8.515 10.743 -6.965 1.00 0.00 C ATOM 446 CD GLN A 35 -9.513 11.459 -6.053 1.00 0.00 C ATOM 447 OE1 GLN A 35 -10.666 10.903 -5.805 1.00 0.00 O flip ATOM 448 NE2 GLN A 35 -9.239 12.535 -5.559 1.00 0.00 N flip ATOM 0 H GLN A 35 -6.740 8.900 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.888 9.623 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.990 8.708 -7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.710 8.964 -7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.495 10.997 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.646 11.073 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.337 12.970 -5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.911 13.003 -4.951 1.00 0.00 H new ATOM 457 N CYS A 36 -9.195 6.801 -4.159 1.00 0.00 N ATOM 458 CA CYS A 36 -10.029 5.607 -3.843 1.00 0.00 C ATOM 459 C CYS A 36 -9.993 4.629 -5.020 1.00 0.00 C ATOM 460 O CYS A 36 -10.978 3.996 -5.345 1.00 0.00 O ATOM 461 CB CYS A 36 -11.471 6.037 -3.573 1.00 0.00 C ATOM 462 SG CYS A 36 -11.625 6.576 -1.857 1.00 0.00 S ATOM 0 H CYS A 36 -8.384 6.931 -3.555 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.631 5.117 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.753 6.846 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.152 5.208 -3.768 1.00 0.00 H new ATOM 467 N LYS A 37 -8.863 4.500 -5.662 1.00 0.00 N ATOM 468 CA LYS A 37 -8.761 3.561 -6.816 1.00 0.00 C ATOM 469 C LYS A 37 -7.394 2.873 -6.790 1.00 0.00 C ATOM 470 O LYS A 37 -6.439 3.393 -6.248 1.00 0.00 O ATOM 471 CB LYS A 37 -8.919 4.341 -8.123 1.00 0.00 C ATOM 472 CG LYS A 37 -10.209 5.161 -8.076 1.00 0.00 C ATOM 473 CD LYS A 37 -10.437 5.834 -9.432 1.00 0.00 C ATOM 474 CE LYS A 37 -11.817 5.451 -9.967 1.00 0.00 C ATOM 475 NZ LYS A 37 -12.669 6.670 -10.058 1.00 0.00 N ATOM 0 H LYS A 37 -8.006 5.005 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.547 2.809 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.063 4.999 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.943 3.653 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.053 4.516 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.145 5.914 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.363 6.917 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.664 5.527 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.722 4.986 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.283 4.717 -9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.608 6.411 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.769 7.095 -9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.226 7.356 -10.702 1.00 0.00 H new ATOM 489 N PHE A 38 -7.287 1.706 -7.370 1.00 0.00 N ATOM 490 CA PHE A 38 -5.974 0.995 -7.368 1.00 0.00 C ATOM 491 C PHE A 38 -4.982 1.759 -8.244 1.00 0.00 C ATOM 492 O PHE A 38 -5.140 1.848 -9.446 1.00 0.00 O ATOM 493 CB PHE A 38 -6.147 -0.418 -7.933 1.00 0.00 C ATOM 494 CG PHE A 38 -6.626 -1.352 -6.846 1.00 0.00 C ATOM 495 CD1 PHE A 38 -6.035 -1.314 -5.577 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.657 -2.260 -7.112 1.00 0.00 C ATOM 497 CE1 PHE A 38 -6.477 -2.185 -4.575 1.00 0.00 C ATOM 498 CE2 PHE A 38 -8.100 -3.130 -6.107 1.00 0.00 C ATOM 499 CZ PHE A 38 -7.509 -3.092 -4.839 1.00 0.00 C ATOM 0 H PHE A 38 -8.047 1.217 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.602 0.937 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.863 -0.405 -8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.201 -0.775 -8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.239 -0.613 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.111 -2.290 -8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.021 -2.157 -3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.897 -3.830 -6.311 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.850 -3.763 -4.064 1.00 0.00 H new ATOM 509 N SER A 39 -3.956 2.308 -7.656 1.00 0.00 N ATOM 510 CA SER A 39 -2.955 3.056 -8.465 1.00 0.00 C ATOM 511 C SER A 39 -2.429 2.145 -9.574 1.00 0.00 C ATOM 512 O SER A 39 -2.598 0.943 -9.535 1.00 0.00 O ATOM 513 CB SER A 39 -1.795 3.491 -7.570 1.00 0.00 C ATOM 514 OG SER A 39 -2.057 4.791 -7.059 1.00 0.00 O ATOM 0 H SER A 39 -3.768 2.271 -6.654 1.00 0.00 H new ATOM 0 HA SER A 39 -3.422 3.938 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.669 2.784 -6.750 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.864 3.491 -8.137 1.00 0.00 H new ATOM 0 HG SER A 39 -2.413 4.719 -6.149 1.00 0.00 H new ATOM 520 N ARG A 40 -1.791 2.704 -10.564 1.00 0.00 N ATOM 521 CA ARG A 40 -1.257 1.863 -11.670 1.00 0.00 C ATOM 522 C ARG A 40 0.012 1.153 -11.192 1.00 0.00 C ATOM 523 O ARG A 40 0.873 1.751 -10.577 1.00 0.00 O ATOM 524 CB ARG A 40 -0.925 2.750 -12.872 1.00 0.00 C ATOM 525 CG ARG A 40 -2.187 2.977 -13.705 1.00 0.00 C ATOM 526 CD ARG A 40 -2.369 1.815 -14.682 1.00 0.00 C ATOM 527 NE ARG A 40 -3.820 1.625 -14.963 1.00 0.00 N ATOM 528 CZ ARG A 40 -4.362 0.447 -14.817 1.00 0.00 C ATOM 529 NH1 ARG A 40 -3.826 -0.594 -15.392 1.00 0.00 N ATOM 530 NH2 ARG A 40 -5.442 0.311 -14.096 1.00 0.00 N ATOM 0 H ARG A 40 -1.617 3.705 -10.655 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.003 1.124 -11.963 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.524 3.705 -12.532 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.154 2.280 -13.482 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.057 3.057 -13.053 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.111 3.917 -14.251 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.832 2.017 -15.609 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.947 0.903 -14.261 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.389 2.415 -15.269 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.983 -0.487 -15.956 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.250 -1.515 -15.278 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.862 1.125 -13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.866 -0.610 -13.981 1.00 0.00 H new ATOM 544 N ALA A 41 0.137 -0.117 -11.468 1.00 0.00 N ATOM 545 CA ALA A 41 1.351 -0.863 -11.026 1.00 0.00 C ATOM 546 C ALA A 41 2.592 -0.011 -11.286 1.00 0.00 C ATOM 547 O ALA A 41 2.561 0.934 -12.050 1.00 0.00 O ATOM 548 CB ALA A 41 1.457 -2.174 -11.806 1.00 0.00 C ATOM 0 H ALA A 41 -0.549 -0.671 -11.981 1.00 0.00 H new ATOM 0 HA ALA A 41 1.277 -1.082 -9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.344 -2.719 -11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.571 -2.781 -11.620 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.532 -1.958 -12.872 1.00 0.00 H new ATOM 554 N GLY A 42 3.684 -0.330 -10.648 1.00 0.00 N ATOM 555 CA GLY A 42 4.917 0.473 -10.852 1.00 0.00 C ATOM 556 C GLY A 42 4.717 1.841 -10.205 1.00 0.00 C ATOM 557 O GLY A 42 5.400 2.796 -10.519 1.00 0.00 O ATOM 0 H GLY A 42 3.774 -1.110 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.776 -0.033 -10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.125 0.584 -11.916 1.00 0.00 H new ATOM 561 N LYS A 43 3.779 1.944 -9.301 1.00 0.00 N ATOM 562 CA LYS A 43 3.533 3.258 -8.634 1.00 0.00 C ATOM 563 C LYS A 43 4.369 3.335 -7.354 1.00 0.00 C ATOM 564 O LYS A 43 4.266 2.501 -6.477 1.00 0.00 O ATOM 565 CB LYS A 43 2.040 3.399 -8.310 1.00 0.00 C ATOM 566 CG LYS A 43 1.832 4.461 -7.227 1.00 0.00 C ATOM 567 CD LYS A 43 2.513 5.764 -7.649 1.00 0.00 C ATOM 568 CE LYS A 43 1.597 6.533 -8.602 1.00 0.00 C ATOM 569 NZ LYS A 43 1.958 6.205 -10.010 1.00 0.00 N ATOM 0 H LYS A 43 3.175 1.180 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 43 3.823 4.073 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.490 3.674 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.642 2.442 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.767 4.630 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.244 4.114 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.735 6.371 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.464 5.549 -8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.556 6.273 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.694 7.605 -8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.845 7.051 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.947 5.884 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.335 5.450 -10.361 1.00 0.00 H new ATOM 583 N ILE A 44 5.210 4.328 -7.255 1.00 0.00 N ATOM 584 CA ILE A 44 6.080 4.468 -6.053 1.00 0.00 C ATOM 585 C ILE A 44 5.242 4.737 -4.799 1.00 0.00 C ATOM 586 O ILE A 44 4.436 5.645 -4.759 1.00 0.00 O ATOM 587 CB ILE A 44 7.045 5.631 -6.269 1.00 0.00 C ATOM 588 CG1 ILE A 44 8.015 5.721 -5.089 1.00 0.00 C ATOM 589 CG2 ILE A 44 6.246 6.929 -6.371 1.00 0.00 C ATOM 590 CD1 ILE A 44 9.083 4.634 -5.224 1.00 0.00 C ATOM 0 H ILE A 44 5.332 5.054 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 44 6.630 3.538 -5.910 1.00 0.00 H new ATOM 0 HB ILE A 44 7.611 5.472 -7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.483 6.705 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.475 5.601 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.928 7.765 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.554 6.865 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.685 7.084 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.775 4.697 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.606 3.654 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.630 4.775 -6.156 1.00 0.00 H new ATOM 602 N CYS A 45 5.449 3.964 -3.764 1.00 0.00 N ATOM 603 CA CYS A 45 4.688 4.182 -2.498 1.00 0.00 C ATOM 604 C CYS A 45 5.667 4.520 -1.368 1.00 0.00 C ATOM 605 O CYS A 45 5.271 4.802 -0.254 1.00 0.00 O ATOM 606 CB CYS A 45 3.905 2.924 -2.129 1.00 0.00 C ATOM 607 SG CYS A 45 2.157 3.319 -2.100 1.00 0.00 S ATOM 0 H CYS A 45 6.113 3.190 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 45 3.989 5.006 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.101 2.132 -2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.224 2.553 -1.155 1.00 0.00 H new ATOM 612 N ARG A 46 6.941 4.496 -1.650 1.00 0.00 N ATOM 613 CA ARG A 46 7.950 4.818 -0.603 1.00 0.00 C ATOM 614 C ARG A 46 9.237 5.262 -1.287 1.00 0.00 C ATOM 615 O ARG A 46 9.368 5.180 -2.492 1.00 0.00 O ATOM 616 CB ARG A 46 8.223 3.578 0.249 1.00 0.00 C ATOM 617 CG ARG A 46 7.918 3.889 1.716 1.00 0.00 C ATOM 618 CD ARG A 46 7.048 2.776 2.302 1.00 0.00 C ATOM 619 NE ARG A 46 6.392 3.263 3.547 1.00 0.00 N ATOM 620 CZ ARG A 46 6.461 2.556 4.642 1.00 0.00 C ATOM 621 NH1 ARG A 46 5.854 1.404 4.715 1.00 0.00 N ATOM 622 NH2 ARG A 46 7.139 3.001 5.664 1.00 0.00 N ATOM 0 H ARG A 46 7.328 4.266 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 46 7.576 5.614 0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.607 2.746 -0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.263 3.271 0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.846 3.976 2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.405 4.847 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.294 2.469 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.658 1.899 2.519 1.00 0.00 H new ATOM 0 HE ARG A 46 5.888 4.150 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.325 1.055 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.908 0.852 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.615 3.901 5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.193 2.449 6.520 1.00 0.00 H new ATOM 636 N ILE A 47 10.186 5.744 -0.540 1.00 0.00 N ATOM 637 CA ILE A 47 11.446 6.199 -1.177 1.00 0.00 C ATOM 638 C ILE A 47 12.656 5.599 -0.444 1.00 0.00 C ATOM 639 O ILE A 47 12.547 5.160 0.683 1.00 0.00 O ATOM 640 CB ILE A 47 11.477 7.738 -1.166 1.00 0.00 C ATOM 641 CG1 ILE A 47 11.541 8.224 -2.625 1.00 0.00 C ATOM 642 CG2 ILE A 47 12.675 8.268 -0.357 1.00 0.00 C ATOM 643 CD1 ILE A 47 12.299 9.549 -2.722 1.00 0.00 C ATOM 0 H ILE A 47 10.144 5.842 0.474 1.00 0.00 H new ATOM 0 HA ILE A 47 11.493 5.857 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 47 10.578 8.120 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.033 7.472 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 47 10.531 8.348 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.668 9.358 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.604 7.916 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.602 7.906 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.332 9.874 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.791 10.304 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.315 9.415 -2.351 1.00 0.00 H new ATOM 655 N PRO A 48 13.775 5.607 -1.125 1.00 0.00 N ATOM 656 CA PRO A 48 15.039 5.076 -0.589 1.00 0.00 C ATOM 657 C PRO A 48 15.692 6.095 0.353 1.00 0.00 C ATOM 658 O PRO A 48 15.580 7.290 0.164 1.00 0.00 O ATOM 659 CB PRO A 48 15.897 4.872 -1.842 1.00 0.00 C ATOM 660 CG PRO A 48 15.321 5.813 -2.926 1.00 0.00 C ATOM 661 CD PRO A 48 13.880 6.143 -2.500 1.00 0.00 C ATOM 0 HA PRO A 48 14.909 4.163 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 48 16.942 5.107 -1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 48 15.862 3.834 -2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.918 6.721 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.336 5.332 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.694 7.217 -2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.152 5.678 -3.165 1.00 0.00 H new ATOM 669 N ARG A 49 16.381 5.631 1.360 1.00 0.00 N ATOM 670 CA ARG A 49 17.051 6.568 2.308 1.00 0.00 C ATOM 671 C ARG A 49 18.342 5.919 2.813 1.00 0.00 C ATOM 672 O ARG A 49 18.489 5.624 3.983 1.00 0.00 O ATOM 673 CB ARG A 49 16.122 6.862 3.488 1.00 0.00 C ATOM 674 CG ARG A 49 15.589 5.548 4.060 1.00 0.00 C ATOM 675 CD ARG A 49 14.113 5.390 3.687 1.00 0.00 C ATOM 676 NE ARG A 49 13.349 6.573 4.175 1.00 0.00 N ATOM 677 CZ ARG A 49 12.484 7.160 3.393 1.00 0.00 C ATOM 678 NH1 ARG A 49 11.448 6.500 2.955 1.00 0.00 N ATOM 679 NH2 ARG A 49 12.656 8.408 3.049 1.00 0.00 N ATOM 0 H ARG A 49 16.509 4.641 1.568 1.00 0.00 H new ATOM 0 HA ARG A 49 17.283 7.505 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.660 7.414 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.294 7.492 3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.165 4.709 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.704 5.538 5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.008 5.296 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.711 4.477 4.127 1.00 0.00 H new ATOM 0 HE ARG A 49 13.502 6.924 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.314 5.525 3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.772 6.959 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.466 8.924 3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.980 8.866 2.438 1.00 0.00 H new ATOM 693 N GLY A 50 19.267 5.677 1.927 1.00 0.00 N ATOM 694 CA GLY A 50 20.548 5.025 2.319 1.00 0.00 C ATOM 695 C GLY A 50 20.850 3.948 1.282 1.00 0.00 C ATOM 696 O GLY A 50 21.977 3.742 0.879 1.00 0.00 O ATOM 0 H GLY A 50 19.189 5.906 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.355 5.757 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.467 4.587 3.314 1.00 0.00 H new ATOM 700 N GLU A 51 19.826 3.280 0.833 1.00 0.00 N ATOM 701 CA GLU A 51 19.993 2.227 -0.201 1.00 0.00 C ATOM 702 C GLU A 51 19.086 2.593 -1.379 1.00 0.00 C ATOM 703 O GLU A 51 18.699 3.735 -1.527 1.00 0.00 O ATOM 704 CB GLU A 51 19.580 0.872 0.387 1.00 0.00 C ATOM 705 CG GLU A 51 20.831 0.076 0.765 1.00 0.00 C ATOM 706 CD GLU A 51 21.211 0.381 2.215 1.00 0.00 C ATOM 707 OE1 GLU A 51 21.957 1.325 2.426 1.00 0.00 O ATOM 708 OE2 GLU A 51 20.752 -0.333 3.090 1.00 0.00 O ATOM 0 H GLU A 51 18.865 3.423 1.145 1.00 0.00 H new ATOM 0 HA GLU A 51 21.030 2.158 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.952 1.021 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.987 0.315 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.646 -0.991 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.655 0.335 0.100 1.00 0.00 H new ATOM 715 N MET A 52 18.734 1.659 -2.221 1.00 0.00 N ATOM 716 CA MET A 52 17.851 2.021 -3.361 1.00 0.00 C ATOM 717 C MET A 52 16.484 1.306 -3.277 1.00 0.00 C ATOM 718 O MET A 52 15.988 0.847 -4.285 1.00 0.00 O ATOM 719 CB MET A 52 18.543 1.632 -4.670 1.00 0.00 C ATOM 720 CG MET A 52 18.970 0.165 -4.604 1.00 0.00 C ATOM 721 SD MET A 52 20.753 0.068 -4.307 1.00 0.00 S ATOM 722 CE MET A 52 21.159 -0.999 -5.710 1.00 0.00 C ATOM 0 H MET A 52 19.014 0.680 -2.170 1.00 0.00 H new ATOM 0 HA MET A 52 17.671 3.095 -3.323 1.00 0.00 H new ATOM 0 HB2 MET A 52 17.868 1.788 -5.511 1.00 0.00 H new ATOM 0 HB3 MET A 52 19.412 2.268 -4.837 1.00 0.00 H new ATOM 0 HG2 MET A 52 18.430 -0.347 -3.808 1.00 0.00 H new ATOM 0 HG3 MET A 52 18.718 -0.341 -5.536 1.00 0.00 H new ATOM 0 HE1 MET A 52 22.232 -1.192 -5.722 1.00 0.00 H new ATOM 0 HE2 MET A 52 20.621 -1.942 -5.617 1.00 0.00 H new ATOM 0 HE3 MET A 52 20.869 -0.506 -6.638 1.00 0.00 H new ATOM 732 N PRO A 53 15.895 1.242 -2.095 1.00 0.00 N ATOM 733 CA PRO A 53 14.572 0.604 -1.919 1.00 0.00 C ATOM 734 C PRO A 53 13.450 1.531 -2.408 1.00 0.00 C ATOM 735 O PRO A 53 13.180 2.556 -1.814 1.00 0.00 O ATOM 736 CB PRO A 53 14.461 0.406 -0.406 1.00 0.00 C ATOM 737 CG PRO A 53 15.417 1.438 0.232 1.00 0.00 C ATOM 738 CD PRO A 53 16.472 1.771 -0.836 1.00 0.00 C ATOM 0 HA PRO A 53 14.479 -0.324 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.437 0.561 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.739 -0.609 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.875 2.334 0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 53 15.886 1.031 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.649 2.845 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.430 1.303 -0.609 1.00 0.00 H new ATOM 746 N ASP A 54 12.784 1.173 -3.472 1.00 0.00 N ATOM 747 CA ASP A 54 11.669 2.026 -3.983 1.00 0.00 C ATOM 748 C ASP A 54 10.401 1.176 -4.080 1.00 0.00 C ATOM 749 O ASP A 54 10.320 0.262 -4.877 1.00 0.00 O ATOM 750 CB ASP A 54 12.013 2.557 -5.375 1.00 0.00 C ATOM 751 CG ASP A 54 13.469 3.024 -5.406 1.00 0.00 C ATOM 752 OD1 ASP A 54 14.339 2.196 -5.207 1.00 0.00 O ATOM 753 OD2 ASP A 54 13.687 4.203 -5.630 1.00 0.00 O ATOM 0 H ASP A 54 12.963 0.326 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 54 11.516 2.864 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.855 1.778 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.351 3.383 -5.633 1.00 0.00 H new ATOM 758 N ASP A 55 9.410 1.462 -3.285 1.00 0.00 N ATOM 759 CA ASP A 55 8.156 0.660 -3.352 1.00 0.00 C ATOM 760 C ASP A 55 7.491 0.893 -4.709 1.00 0.00 C ATOM 761 O ASP A 55 7.681 1.917 -5.328 1.00 0.00 O ATOM 762 CB ASP A 55 7.208 1.099 -2.233 1.00 0.00 C ATOM 763 CG ASP A 55 7.728 0.578 -0.892 1.00 0.00 C ATOM 764 OD1 ASP A 55 8.812 0.018 -0.876 1.00 0.00 O ATOM 765 OD2 ASP A 55 7.034 0.750 0.096 1.00 0.00 O ATOM 0 H ASP A 55 9.412 2.213 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 55 8.386 -0.399 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.135 2.186 -2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.205 0.716 -2.420 1.00 0.00 H new ATOM 770 N ARG A 56 6.719 -0.048 -5.179 1.00 0.00 N ATOM 771 CA ARG A 56 6.048 0.130 -6.502 1.00 0.00 C ATOM 772 C ARG A 56 4.713 -0.616 -6.495 1.00 0.00 C ATOM 773 O ARG A 56 4.673 -1.831 -6.515 1.00 0.00 O ATOM 774 CB ARG A 56 6.940 -0.442 -7.608 1.00 0.00 C ATOM 775 CG ARG A 56 8.046 0.560 -7.944 1.00 0.00 C ATOM 776 CD ARG A 56 7.441 1.760 -8.673 1.00 0.00 C ATOM 777 NE ARG A 56 7.780 1.684 -10.122 1.00 0.00 N ATOM 778 CZ ARG A 56 8.383 2.684 -10.704 1.00 0.00 C ATOM 779 NH1 ARG A 56 9.686 2.737 -10.723 1.00 0.00 N ATOM 780 NH2 ARG A 56 7.682 3.630 -11.268 1.00 0.00 N ATOM 0 H ARG A 56 6.523 -0.931 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 56 5.876 1.191 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.377 -1.387 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.345 -0.654 -8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.544 0.888 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.804 0.086 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.359 1.771 -8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.823 2.688 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 56 7.541 0.850 -10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.233 1.997 -10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.158 3.518 -11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.663 3.587 -11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.153 4.412 -11.723 1.00 0.00 H new ATOM 794 N CYS A 57 3.616 0.092 -6.466 1.00 0.00 N ATOM 795 CA CYS A 57 2.295 -0.597 -6.457 1.00 0.00 C ATOM 796 C CYS A 57 2.259 -1.633 -7.571 1.00 0.00 C ATOM 797 O CYS A 57 2.840 -1.441 -8.624 1.00 0.00 O ATOM 798 CB CYS A 57 1.172 0.406 -6.708 1.00 0.00 C ATOM 799 SG CYS A 57 1.343 1.802 -5.576 1.00 0.00 S ATOM 0 H CYS A 57 3.578 1.111 -6.448 1.00 0.00 H new ATOM 0 HA CYS A 57 2.158 -1.070 -5.484 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.207 0.755 -7.740 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.204 -0.074 -6.566 1.00 0.00 H new ATOM 804 N THR A 58 1.565 -2.718 -7.352 1.00 0.00 N ATOM 805 CA THR A 58 1.468 -3.769 -8.400 1.00 0.00 C ATOM 806 C THR A 58 0.262 -3.482 -9.296 1.00 0.00 C ATOM 807 O THR A 58 -0.092 -4.272 -10.149 1.00 0.00 O ATOM 808 CB THR A 58 1.299 -5.138 -7.737 1.00 0.00 C ATOM 809 OG1 THR A 58 -0.018 -5.249 -7.213 1.00 0.00 O ATOM 810 CG2 THR A 58 2.315 -5.288 -6.603 1.00 0.00 C ATOM 0 H THR A 58 1.060 -2.920 -6.489 1.00 0.00 H new ATOM 0 HA THR A 58 2.377 -3.769 -9.002 1.00 0.00 H new ATOM 0 HB THR A 58 1.465 -5.922 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.140 -4.596 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.193 -6.263 -6.132 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.324 -5.203 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.152 -4.505 -5.863 1.00 0.00 H new ATOM 818 N GLY A 59 -0.373 -2.357 -9.112 1.00 0.00 N ATOM 819 CA GLY A 59 -1.555 -2.023 -9.955 1.00 0.00 C ATOM 820 C GLY A 59 -2.824 -2.559 -9.289 1.00 0.00 C ATOM 821 O GLY A 59 -3.916 -2.095 -9.549 1.00 0.00 O ATOM 0 H GLY A 59 -0.124 -1.655 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.628 -0.943 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.441 -2.458 -10.948 1.00 0.00 H new ATOM 825 N GLN A 60 -2.689 -3.533 -8.432 1.00 0.00 N ATOM 826 CA GLN A 60 -3.888 -4.094 -7.751 1.00 0.00 C ATOM 827 C GLN A 60 -3.703 -4.007 -6.234 1.00 0.00 C ATOM 828 O GLN A 60 -4.529 -4.470 -5.472 1.00 0.00 O ATOM 829 CB GLN A 60 -4.070 -5.562 -8.154 1.00 0.00 C ATOM 830 CG GLN A 60 -3.666 -5.757 -9.619 1.00 0.00 C ATOM 831 CD GLN A 60 -3.472 -7.248 -9.899 1.00 0.00 C ATOM 832 OE1 GLN A 60 -2.626 -7.626 -10.686 1.00 0.00 O ATOM 833 NE2 GLN A 60 -4.226 -8.120 -9.285 1.00 0.00 N ATOM 0 H GLN A 60 -1.801 -3.964 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.768 -3.523 -8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.464 -6.202 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.109 -5.861 -8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.434 -5.349 -10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.745 -5.214 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.936 -7.805 -8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.105 -9.116 -9.466 1.00 0.00 H new ATOM 842 N SER A 61 -2.625 -3.420 -5.787 1.00 0.00 N ATOM 843 CA SER A 61 -2.395 -3.316 -4.315 1.00 0.00 C ATOM 844 C SER A 61 -2.824 -1.934 -3.812 1.00 0.00 C ATOM 845 O SER A 61 -2.470 -0.920 -4.380 1.00 0.00 O ATOM 846 CB SER A 61 -0.910 -3.525 -4.017 1.00 0.00 C ATOM 847 OG SER A 61 -0.328 -4.302 -5.055 1.00 0.00 O ATOM 0 H SER A 61 -1.897 -3.010 -6.373 1.00 0.00 H new ATOM 0 HA SER A 61 -2.985 -4.080 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.404 -2.563 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.787 -4.028 -3.058 1.00 0.00 H new ATOM 0 HG SER A 61 -0.612 -5.235 -4.964 1.00 0.00 H new ATOM 853 N ALA A 62 -3.576 -1.885 -2.743 1.00 0.00 N ATOM 854 CA ALA A 62 -4.016 -0.567 -2.197 1.00 0.00 C ATOM 855 C ALA A 62 -2.975 -0.069 -1.200 1.00 0.00 C ATOM 856 O ALA A 62 -2.585 1.081 -1.225 1.00 0.00 O ATOM 857 CB ALA A 62 -5.364 -0.716 -1.491 1.00 0.00 C ATOM 0 H ALA A 62 -3.904 -2.700 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.120 0.146 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.677 0.251 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.109 -1.076 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.269 -1.429 -0.672 1.00 0.00 H new ATOM 863 N ASP A 63 -2.500 -0.919 -0.331 1.00 0.00 N ATOM 864 CA ASP A 63 -1.465 -0.455 0.624 1.00 0.00 C ATOM 865 C ASP A 63 -0.103 -0.672 -0.018 1.00 0.00 C ATOM 866 O ASP A 63 -0.006 -1.135 -1.136 1.00 0.00 O ATOM 867 CB ASP A 63 -1.540 -1.210 1.947 1.00 0.00 C ATOM 868 CG ASP A 63 -3.003 -1.438 2.327 1.00 0.00 C ATOM 869 OD1 ASP A 63 -3.707 -2.061 1.548 1.00 0.00 O ATOM 870 OD2 ASP A 63 -3.396 -0.986 3.390 1.00 0.00 O ATOM 0 H ASP A 63 -2.780 -1.896 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.629 0.600 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.023 -2.166 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.035 -0.644 2.729 1.00 0.00 H new ATOM 875 N CYS A 64 0.950 -0.317 0.652 1.00 0.00 N ATOM 876 CA CYS A 64 2.288 -0.485 0.028 1.00 0.00 C ATOM 877 C CYS A 64 3.248 -1.166 0.999 1.00 0.00 C ATOM 878 O CYS A 64 3.472 -0.688 2.093 1.00 0.00 O ATOM 879 CB CYS A 64 2.807 0.894 -0.380 1.00 0.00 C ATOM 880 SG CYS A 64 1.392 1.914 -0.881 1.00 0.00 S ATOM 0 H CYS A 64 0.946 0.077 1.593 1.00 0.00 H new ATOM 0 HA CYS A 64 2.212 -1.121 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.336 1.361 0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.519 0.804 -1.201 1.00 0.00 H new ATOM 885 N PRO A 65 3.786 -2.274 0.558 1.00 0.00 N ATOM 886 CA PRO A 65 4.728 -3.065 1.354 1.00 0.00 C ATOM 887 C PRO A 65 6.122 -2.434 1.308 1.00 0.00 C ATOM 888 O PRO A 65 6.283 -1.291 0.930 1.00 0.00 O ATOM 889 CB PRO A 65 4.723 -4.424 0.653 1.00 0.00 C ATOM 890 CG PRO A 65 4.237 -4.183 -0.792 1.00 0.00 C ATOM 891 CD PRO A 65 3.501 -2.842 -0.780 1.00 0.00 C ATOM 0 HA PRO A 65 4.458 -3.130 2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.720 -4.864 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.065 -5.122 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.077 -4.159 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.576 -4.986 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.858 -2.186 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.430 -2.976 -0.935 1.00 0.00 H new ATOM 899 N ARG A 66 7.132 -3.169 1.686 1.00 0.00 N ATOM 900 CA ARG A 66 8.512 -2.610 1.659 1.00 0.00 C ATOM 901 C ARG A 66 9.295 -3.244 0.506 1.00 0.00 C ATOM 902 O ARG A 66 8.751 -3.980 -0.293 1.00 0.00 O ATOM 903 CB ARG A 66 9.213 -2.916 2.986 1.00 0.00 C ATOM 904 CG ARG A 66 9.726 -1.613 3.606 1.00 0.00 C ATOM 905 CD ARG A 66 10.598 -1.932 4.824 1.00 0.00 C ATOM 906 NE ARG A 66 9.727 -2.266 5.987 1.00 0.00 N ATOM 907 CZ ARG A 66 10.260 -2.689 7.101 1.00 0.00 C ATOM 908 NH1 ARG A 66 10.700 -3.915 7.190 1.00 0.00 N ATOM 909 NH2 ARG A 66 10.351 -1.887 8.127 1.00 0.00 N ATOM 0 H ARG A 66 7.060 -4.133 2.012 1.00 0.00 H new ATOM 0 HA ARG A 66 8.466 -1.530 1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.521 -3.409 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.042 -3.604 2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.302 -1.051 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.886 -0.984 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.261 -2.768 4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.232 -1.078 5.064 1.00 0.00 H new ATOM 0 HE ARG A 66 8.715 -2.164 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.627 -4.542 6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.116 -4.245 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.006 -0.930 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.767 -2.218 8.997 1.00 0.00 H new