USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 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 41 SER OG : rot 22:sc= 1.23 USER MOD Set 1.2: A 43 THR OG1 : rot -109:sc= -0.444 USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= -1.37! USER MOD Set 2.2: A 29 THR OG1 : rot 141:sc= 1.09 USER MOD Set 2.3: A 31 THR OG1 : rot 74:sc= 1.09 USER MOD Single : A 1 ARG N :NH3+ 162:sc=0.000614 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.361 K(o=-0.36,f=-4.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= -0.0352 (180deg=-0.222) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.13 (180deg=-0.546) USER MOD Single : A 26 ASN : amide:sc= -4.11! K(o=-4.1!,f=-0.68) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.04! K(o=-4!,f=-0.18) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 1.1 (180deg=-0.434) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.718) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.261 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.812 3.862 11.313 1.00 0.00 N ATOM 2 CA ARG A 1 4.197 3.964 9.887 1.00 0.00 C ATOM 3 C ARG A 1 5.349 3.009 9.585 1.00 0.00 C ATOM 4 O ARG A 1 6.233 2.814 10.413 1.00 0.00 O ATOM 5 CB ARG A 1 4.589 5.418 9.594 1.00 0.00 C ATOM 6 CG ARG A 1 4.566 5.784 8.114 1.00 0.00 C ATOM 7 CD ARG A 1 4.558 7.295 7.903 1.00 0.00 C ATOM 8 NE ARG A 1 4.224 7.671 6.522 1.00 0.00 N ATOM 9 CZ ARG A 1 4.162 8.932 6.098 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.400 9.926 6.944 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.858 9.193 4.825 1.00 0.00 N ATOM 0 H1 ARG A 1 3.260 4.701 11.584 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.237 3.007 11.457 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.668 3.806 11.901 1.00 0.00 H new ATOM 0 HA ARG A 1 3.361 3.682 9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.911 6.081 10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.590 5.599 9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.436 5.353 7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.684 5.347 7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.838 7.749 8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.537 7.699 8.159 1.00 0.00 H new ATOM 0 HE ARG A 1 4.029 6.926 5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.630 9.724 7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.353 10.893 6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.673 8.427 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.810 10.159 4.500 1.00 0.00 H new ATOM 27 N ILE A 2 5.336 2.411 8.401 1.00 0.00 N ATOM 28 CA ILE A 2 6.382 1.474 8.018 1.00 0.00 C ATOM 29 C ILE A 2 6.811 1.717 6.568 1.00 0.00 C ATOM 30 O ILE A 2 5.983 2.086 5.733 1.00 0.00 O ATOM 31 CB ILE A 2 5.921 -0.003 8.241 1.00 0.00 C ATOM 32 CG1 ILE A 2 7.114 -0.956 8.281 1.00 0.00 C ATOM 33 CG2 ILE A 2 4.935 -0.451 7.170 1.00 0.00 C ATOM 34 CD1 ILE A 2 6.730 -2.382 8.603 1.00 0.00 C ATOM 0 H ILE A 2 4.616 2.557 7.693 1.00 0.00 H new ATOM 0 HA ILE A 2 7.249 1.642 8.657 1.00 0.00 H new ATOM 0 HB ILE A 2 5.416 -0.035 9.207 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.621 -0.933 7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.828 -0.602 9.025 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.637 -1.483 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.055 0.191 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.407 -0.383 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.624 -3.006 8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.249 -2.417 9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.040 -2.753 7.845 1.00 0.00 H new ATOM 46 N PRO A 3 8.123 1.576 6.262 1.00 0.00 N ATOM 47 CA PRO A 3 8.679 1.822 4.916 1.00 0.00 C ATOM 48 C PRO A 3 8.032 0.992 3.802 1.00 0.00 C ATOM 49 O PRO A 3 7.106 0.214 4.028 1.00 0.00 O ATOM 50 CB PRO A 3 10.162 1.451 5.049 1.00 0.00 C ATOM 51 CG PRO A 3 10.273 0.698 6.328 1.00 0.00 C ATOM 52 CD PRO A 3 9.182 1.221 7.218 1.00 0.00 C ATOM 0 HA PRO A 3 8.496 2.855 4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.491 0.843 4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.789 2.342 5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.159 -0.373 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.252 0.847 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.847 0.468 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.511 2.084 7.796 1.00 0.00 H new ATOM 60 N VAL A 4 8.541 1.179 2.589 1.00 0.00 N ATOM 61 CA VAL A 4 8.040 0.478 1.409 1.00 0.00 C ATOM 62 C VAL A 4 9.196 -0.224 0.687 1.00 0.00 C ATOM 63 O VAL A 4 10.356 0.167 0.839 1.00 0.00 O ATOM 64 CB VAL A 4 7.327 1.471 0.443 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.803 0.767 -0.795 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.185 2.188 1.152 1.00 0.00 C ATOM 0 H VAL A 4 9.311 1.819 2.395 1.00 0.00 H new ATOM 0 HA VAL A 4 7.315 -0.270 1.730 1.00 0.00 H new ATOM 0 HB VAL A 4 8.069 2.205 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.312 1.491 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.633 0.304 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.087 -0.001 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.701 2.876 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.458 1.456 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.578 2.746 2.002 1.00 0.00 H new ATOM 76 N LYS A 5 8.884 -1.266 -0.087 1.00 0.00 N ATOM 77 CA LYS A 5 9.909 -2.007 -0.808 1.00 0.00 C ATOM 78 C LYS A 5 9.792 -1.827 -2.322 1.00 0.00 C ATOM 79 O LYS A 5 10.334 -0.879 -2.886 1.00 0.00 O ATOM 80 CB LYS A 5 9.842 -3.495 -0.447 1.00 0.00 C ATOM 81 CG LYS A 5 11.089 -4.027 0.250 1.00 0.00 C ATOM 82 CD LYS A 5 12.332 -3.935 -0.634 1.00 0.00 C ATOM 83 CE LYS A 5 13.140 -2.671 -0.362 1.00 0.00 C ATOM 84 NZ LYS A 5 14.167 -2.417 -1.412 1.00 0.00 N ATOM 0 H LYS A 5 7.934 -1.610 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 5 10.875 -1.604 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.980 -3.662 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.675 -4.071 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.257 -3.465 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.926 -5.066 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.961 -4.809 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.033 -3.954 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.465 -1.817 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.630 -2.758 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.690 -1.548 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.828 -3.219 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.700 -2.307 -2.335 1.00 0.00 H new ATOM 98 N TYR A 6 9.114 -2.763 -2.978 1.00 0.00 N ATOM 99 CA TYR A 6 8.968 -2.735 -4.433 1.00 0.00 C ATOM 100 C TYR A 6 7.795 -1.863 -4.886 1.00 0.00 C ATOM 101 O TYR A 6 7.116 -1.238 -4.069 1.00 0.00 O ATOM 102 CB TYR A 6 8.794 -4.159 -4.958 1.00 0.00 C ATOM 103 CG TYR A 6 9.810 -5.140 -4.396 1.00 0.00 C ATOM 104 CD1 TYR A 6 11.178 -4.954 -4.591 1.00 0.00 C ATOM 105 CD2 TYR A 6 9.402 -6.251 -3.662 1.00 0.00 C ATOM 106 CE1 TYR A 6 12.097 -5.843 -4.072 1.00 0.00 C ATOM 107 CE2 TYR A 6 10.321 -7.141 -3.145 1.00 0.00 C ATOM 108 CZ TYR A 6 11.663 -6.934 -3.351 1.00 0.00 C ATOM 109 OH TYR A 6 12.578 -7.821 -2.836 1.00 0.00 O ATOM 0 H TYR A 6 8.655 -3.553 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 6 9.875 -2.292 -4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.790 -4.508 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.873 -4.149 -6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.524 -4.101 -5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.348 -6.419 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 6 13.153 -5.684 -4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.986 -7.998 -2.580 1.00 0.00 H new ATOM 0 HH TYR A 6 12.108 -8.533 -2.354 1.00 0.00 H new ATOM 119 N GLY A 7 7.581 -1.824 -6.199 1.00 0.00 N ATOM 120 CA GLY A 7 6.512 -1.024 -6.774 1.00 0.00 C ATOM 121 C GLY A 7 7.068 0.207 -7.442 1.00 0.00 C ATOM 122 O GLY A 7 8.230 0.220 -7.849 1.00 0.00 O ATOM 0 H GLY A 7 8.136 -2.339 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.957 -1.618 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.808 -0.734 -5.994 1.00 0.00 H new ATOM 126 N ASN A 8 6.257 1.242 -7.558 1.00 0.00 N ATOM 127 CA ASN A 8 6.721 2.476 -8.189 1.00 0.00 C ATOM 128 C ASN A 8 7.061 3.544 -7.158 1.00 0.00 C ATOM 129 O ASN A 8 7.633 4.584 -7.494 1.00 0.00 O ATOM 130 CB ASN A 8 5.707 3.024 -9.201 1.00 0.00 C ATOM 131 CG ASN A 8 4.339 3.319 -8.626 1.00 0.00 C ATOM 132 OD1 ASN A 8 4.194 3.755 -7.482 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.324 3.124 -9.443 1.00 0.00 N ATOM 0 H ASN A 8 5.291 1.261 -7.232 1.00 0.00 H new ATOM 0 HA ASN A 8 7.631 2.218 -8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.108 3.939 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.598 2.304 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.375 3.336 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.488 2.761 -10.382 1.00 0.00 H new ATOM 140 N ALA A 9 6.711 3.283 -5.911 1.00 0.00 N ATOM 141 CA ALA A 9 6.978 4.215 -4.830 1.00 0.00 C ATOM 142 C ALA A 9 8.470 4.295 -4.544 1.00 0.00 C ATOM 143 O ALA A 9 9.179 3.287 -4.591 1.00 0.00 O ATOM 144 CB ALA A 9 6.202 3.814 -3.584 1.00 0.00 C ATOM 0 H ALA A 9 6.238 2.427 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 9 6.644 5.207 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.412 4.521 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.134 3.819 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.504 2.814 -3.274 1.00 0.00 H new ATOM 150 N ASP A 10 8.938 5.505 -4.278 1.00 0.00 N ATOM 151 CA ASP A 10 10.348 5.747 -4.009 1.00 0.00 C ATOM 152 C ASP A 10 10.733 5.320 -2.599 1.00 0.00 C ATOM 153 O ASP A 10 11.195 4.198 -2.385 1.00 0.00 O ATOM 154 CB ASP A 10 10.684 7.225 -4.232 1.00 0.00 C ATOM 155 CG ASP A 10 10.538 7.623 -5.682 1.00 0.00 C ATOM 156 OD1 ASP A 10 11.252 7.048 -6.523 1.00 0.00 O ATOM 157 OD2 ASP A 10 9.711 8.506 -5.986 1.00 0.00 O ATOM 0 H ASP A 10 8.356 6.342 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 10 10.928 5.141 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.029 7.843 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.705 7.419 -3.903 1.00 0.00 H new ATOM 162 N GLY A 11 10.547 6.213 -1.638 1.00 0.00 N ATOM 163 CA GLY A 11 10.895 5.898 -0.271 1.00 0.00 C ATOM 164 C GLY A 11 9.874 6.387 0.731 1.00 0.00 C ATOM 165 O GLY A 11 10.125 6.367 1.934 1.00 0.00 O ATOM 0 H GLY A 11 10.162 7.147 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.005 4.818 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.864 6.340 -0.038 1.00 0.00 H new ATOM 169 N GLU A 12 8.721 6.822 0.244 1.00 0.00 N ATOM 170 CA GLU A 12 7.663 7.305 1.120 1.00 0.00 C ATOM 171 C GLU A 12 7.033 6.128 1.847 1.00 0.00 C ATOM 172 O GLU A 12 6.517 5.216 1.205 1.00 0.00 O ATOM 173 CB GLU A 12 6.596 8.054 0.320 1.00 0.00 C ATOM 174 CG GLU A 12 7.029 9.413 -0.224 1.00 0.00 C ATOM 175 CD GLU A 12 8.190 9.336 -1.190 1.00 0.00 C ATOM 176 OE1 GLU A 12 8.060 8.654 -2.223 1.00 0.00 O ATOM 177 OE2 GLU A 12 9.236 9.955 -0.916 1.00 0.00 O ATOM 0 H GLU A 12 8.494 6.851 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 12 8.095 7.996 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.285 7.428 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.721 8.196 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.181 9.882 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.304 10.058 0.610 1.00 0.00 H new ATOM 184 N TYR A 13 7.101 6.137 3.175 1.00 0.00 N ATOM 185 CA TYR A 13 6.551 5.040 3.971 1.00 0.00 C ATOM 186 C TYR A 13 5.039 4.941 3.807 1.00 0.00 C ATOM 187 O TYR A 13 4.383 5.906 3.406 1.00 0.00 O ATOM 188 CB TYR A 13 6.895 5.189 5.458 1.00 0.00 C ATOM 189 CG TYR A 13 8.236 5.820 5.739 1.00 0.00 C ATOM 190 CD1 TYR A 13 9.413 5.224 5.313 1.00 0.00 C ATOM 191 CD2 TYR A 13 8.320 7.008 6.448 1.00 0.00 C ATOM 192 CE1 TYR A 13 10.639 5.796 5.585 1.00 0.00 C ATOM 193 CE2 TYR A 13 9.539 7.590 6.722 1.00 0.00 C ATOM 194 CZ TYR A 13 10.698 6.979 6.289 1.00 0.00 C ATOM 195 OH TYR A 13 11.919 7.543 6.571 1.00 0.00 O ATOM 0 H TYR A 13 7.528 6.885 3.721 1.00 0.00 H new ATOM 0 HA TYR A 13 7.010 4.124 3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.120 5.788 5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.869 4.203 5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.370 4.298 4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.415 7.486 6.792 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.547 5.319 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.587 8.518 7.272 1.00 0.00 H new ATOM 0 HH TYR A 13 11.787 8.375 7.072 1.00 0.00 H new ATOM 205 N CYS A 14 4.496 3.769 4.136 1.00 0.00 N ATOM 206 CA CYS A 14 3.062 3.514 4.035 1.00 0.00 C ATOM 207 C CYS A 14 2.256 4.569 4.770 1.00 0.00 C ATOM 208 O CYS A 14 2.553 4.912 5.916 1.00 0.00 O ATOM 209 CB CYS A 14 2.724 2.132 4.599 1.00 0.00 C ATOM 210 SG CYS A 14 3.440 0.743 3.663 1.00 0.00 S ATOM 0 H CYS A 14 5.036 2.974 4.478 1.00 0.00 H new ATOM 0 HA CYS A 14 2.798 3.552 2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.073 2.078 5.630 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.640 2.018 4.623 1.00 0.00 H new ATOM 215 N LYS A 15 1.235 5.077 4.102 1.00 0.00 N ATOM 216 CA LYS A 15 0.378 6.093 4.683 1.00 0.00 C ATOM 217 C LYS A 15 -0.845 5.439 5.309 1.00 0.00 C ATOM 218 O LYS A 15 -1.725 4.945 4.606 1.00 0.00 O ATOM 219 CB LYS A 15 -0.054 7.105 3.618 1.00 0.00 C ATOM 220 CG LYS A 15 -0.800 8.305 4.184 1.00 0.00 C ATOM 221 CD LYS A 15 -1.185 9.296 3.094 1.00 0.00 C ATOM 222 CE LYS A 15 -1.957 10.479 3.659 1.00 0.00 C ATOM 223 NZ LYS A 15 -1.175 11.205 4.695 1.00 0.00 N ATOM 0 H LYS A 15 0.980 4.801 3.154 1.00 0.00 H new ATOM 0 HA LYS A 15 0.936 6.622 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.829 7.456 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.690 6.603 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.698 7.965 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.176 8.804 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.286 9.654 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.791 8.792 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.214 11.164 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.895 10.129 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.620 12.126 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.154 10.644 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.203 11.354 4.356 1.00 0.00 H new ATOM 237 N PHE A 16 -0.891 5.431 6.631 1.00 0.00 N ATOM 238 CA PHE A 16 -2.007 4.833 7.348 1.00 0.00 C ATOM 239 C PHE A 16 -2.839 5.906 8.031 1.00 0.00 C ATOM 240 O PHE A 16 -2.305 6.740 8.765 1.00 0.00 O ATOM 241 CB PHE A 16 -1.509 3.840 8.397 1.00 0.00 C ATOM 242 CG PHE A 16 -0.718 2.699 7.829 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.235 1.915 6.812 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.537 2.411 8.322 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.508 0.861 6.296 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.273 1.363 7.815 1.00 0.00 C ATOM 247 CZ PHE A 16 0.753 0.578 6.798 1.00 0.00 C ATOM 0 H PHE A 16 -0.169 5.832 7.230 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.624 4.305 6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.892 4.371 9.122 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.366 3.440 8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.217 2.130 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.949 3.016 9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.921 0.257 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.256 1.153 8.210 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.325 -0.247 6.400 1.00 0.00 H new ATOM 257 N PRO A 17 -4.161 5.900 7.805 1.00 0.00 N ATOM 258 CA PRO A 17 -4.827 4.931 6.946 1.00 0.00 C ATOM 259 C PRO A 17 -4.946 5.410 5.499 1.00 0.00 C ATOM 260 O PRO A 17 -5.145 6.597 5.243 1.00 0.00 O ATOM 261 CB PRO A 17 -6.218 4.813 7.579 1.00 0.00 C ATOM 262 CG PRO A 17 -6.389 6.022 8.466 1.00 0.00 C ATOM 263 CD PRO A 17 -5.125 6.844 8.373 1.00 0.00 C ATOM 0 HA PRO A 17 -4.277 3.992 6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.992 4.782 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.305 3.893 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.251 6.609 8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.572 5.717 9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.258 7.718 7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.807 7.207 9.350 1.00 0.00 H new ATOM 271 N PHE A 18 -4.850 4.485 4.551 1.00 0.00 N ATOM 272 CA PHE A 18 -4.981 4.853 3.145 1.00 0.00 C ATOM 273 C PHE A 18 -6.346 4.415 2.621 1.00 0.00 C ATOM 274 O PHE A 18 -6.950 3.477 3.145 1.00 0.00 O ATOM 275 CB PHE A 18 -3.854 4.276 2.277 1.00 0.00 C ATOM 276 CG PHE A 18 -3.838 2.779 2.149 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.388 1.981 3.184 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.260 2.174 0.977 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.355 0.607 3.055 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.236 0.799 0.840 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.778 0.011 1.880 1.00 0.00 C ATOM 0 H PHE A 18 -4.685 3.493 4.724 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.898 5.938 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.930 4.708 1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.899 4.598 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.058 2.438 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.613 2.785 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.999 -0.003 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.574 0.341 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.751 -1.064 1.776 1.00 0.00 H new ATOM 291 N LEU A 19 -6.841 5.112 1.606 1.00 0.00 N ATOM 292 CA LEU A 19 -8.149 4.811 1.038 1.00 0.00 C ATOM 293 C LEU A 19 -8.039 3.949 -0.219 1.00 0.00 C ATOM 294 O LEU A 19 -7.604 4.414 -1.278 1.00 0.00 O ATOM 295 CB LEU A 19 -8.888 6.107 0.703 1.00 0.00 C ATOM 296 CG LEU A 19 -10.365 5.938 0.353 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.158 5.519 1.580 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.928 7.222 -0.239 1.00 0.00 C ATOM 0 H LEU A 19 -6.356 5.890 1.159 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.707 4.248 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.807 6.784 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.384 6.588 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.452 5.152 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.208 5.403 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.773 4.571 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.063 6.282 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.981 7.080 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.828 8.031 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.378 7.476 -1.145 1.00 0.00 H new ATOM 310 N PHE A 20 -8.465 2.701 -0.098 1.00 0.00 N ATOM 311 CA PHE A 20 -8.455 1.771 -1.216 1.00 0.00 C ATOM 312 C PHE A 20 -9.866 1.605 -1.748 1.00 0.00 C ATOM 313 O PHE A 20 -10.665 0.873 -1.164 1.00 0.00 O ATOM 314 CB PHE A 20 -7.944 0.411 -0.775 1.00 0.00 C ATOM 315 CG PHE A 20 -7.742 -0.569 -1.896 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.534 -0.160 -3.209 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.761 -1.916 -1.616 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.352 -1.099 -4.213 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.581 -2.856 -2.607 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.376 -2.449 -3.911 1.00 0.00 C ATOM 0 H PHE A 20 -8.825 2.307 0.771 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.799 2.170 -1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.998 0.544 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.648 -0.014 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.514 0.893 -3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.920 -2.243 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.191 -0.776 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.600 -3.908 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.235 -3.182 -4.692 1.00 0.00 H new ATOM 330 N ASN A 21 -10.160 2.286 -2.847 1.00 0.00 N ATOM 331 CA ASN A 21 -11.482 2.231 -3.484 1.00 0.00 C ATOM 332 C ASN A 21 -12.626 2.478 -2.499 1.00 0.00 C ATOM 333 O ASN A 21 -13.730 1.971 -2.688 1.00 0.00 O ATOM 334 CB ASN A 21 -11.694 0.888 -4.185 1.00 0.00 C ATOM 335 CG ASN A 21 -10.921 0.771 -5.482 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.694 0.869 -5.505 1.00 0.00 O ATOM 337 ND2 ASN A 21 -11.640 0.552 -6.574 1.00 0.00 N ATOM 0 H ASN A 21 -9.495 2.893 -3.326 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.498 3.036 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.393 0.083 -3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.756 0.754 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.178 0.458 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.655 0.478 -6.510 1.00 0.00 H new ATOM 344 N GLY A 22 -12.373 3.266 -1.461 1.00 0.00 N ATOM 345 CA GLY A 22 -13.412 3.562 -0.494 1.00 0.00 C ATOM 346 C GLY A 22 -13.258 2.834 0.831 1.00 0.00 C ATOM 347 O GLY A 22 -14.148 2.903 1.675 1.00 0.00 O ATOM 0 H GLY A 22 -11.471 3.703 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.422 4.636 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.379 3.305 -0.927 1.00 0.00 H new ATOM 351 N LYS A 23 -12.141 2.143 1.034 1.00 0.00 N ATOM 352 CA LYS A 23 -11.923 1.428 2.288 1.00 0.00 C ATOM 353 C LYS A 23 -10.586 1.827 2.901 1.00 0.00 C ATOM 354 O LYS A 23 -9.541 1.694 2.262 1.00 0.00 O ATOM 355 CB LYS A 23 -11.967 -0.084 2.048 1.00 0.00 C ATOM 356 CG LYS A 23 -12.159 -0.922 3.306 1.00 0.00 C ATOM 357 CD LYS A 23 -12.178 -2.408 2.982 1.00 0.00 C ATOM 358 CE LYS A 23 -12.567 -3.235 4.195 1.00 0.00 C ATOM 359 NZ LYS A 23 -13.928 -2.891 4.678 1.00 0.00 N ATOM 0 H LYS A 23 -11.382 2.063 0.357 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.717 1.696 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.778 -0.305 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.040 -0.388 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.356 -0.712 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.093 -0.642 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.881 -2.596 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.194 -2.718 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.527 -4.294 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.844 -3.071 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.303 -3.676 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.882 -2.031 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.554 -2.725 3.864 1.00 0.00 H new ATOM 373 N GLU A 24 -10.627 2.331 4.129 1.00 0.00 N ATOM 374 CA GLU A 24 -9.419 2.763 4.820 1.00 0.00 C ATOM 375 C GLU A 24 -8.734 1.590 5.519 1.00 0.00 C ATOM 376 O GLU A 24 -9.370 0.832 6.257 1.00 0.00 O ATOM 377 CB GLU A 24 -9.732 3.852 5.856 1.00 0.00 C ATOM 378 CG GLU A 24 -10.531 5.027 5.327 1.00 0.00 C ATOM 379 CD GLU A 24 -12.005 4.916 5.643 1.00 0.00 C ATOM 380 OE1 GLU A 24 -12.660 3.991 5.129 1.00 0.00 O ATOM 381 OE2 GLU A 24 -12.509 5.746 6.425 1.00 0.00 O ATOM 0 H GLU A 24 -11.485 2.450 4.667 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.748 3.171 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.282 3.400 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.793 4.225 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.140 5.950 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.399 5.095 4.247 1.00 0.00 H new ATOM 388 N TYR A 25 -7.435 1.456 5.302 1.00 0.00 N ATOM 389 CA TYR A 25 -6.658 0.390 5.926 1.00 0.00 C ATOM 390 C TYR A 25 -5.645 0.970 6.896 1.00 0.00 C ATOM 391 O TYR A 25 -4.902 1.887 6.553 1.00 0.00 O ATOM 392 CB TYR A 25 -5.939 -0.444 4.873 1.00 0.00 C ATOM 393 CG TYR A 25 -6.872 -1.219 3.983 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.701 -2.204 4.500 1.00 0.00 C ATOM 395 CD2 TYR A 25 -6.930 -0.954 2.630 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.567 -2.905 3.679 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.789 -1.648 1.803 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.604 -2.622 2.331 1.00 0.00 C ATOM 399 OH TYR A 25 -9.458 -3.314 1.507 1.00 0.00 O ATOM 0 H TYR A 25 -6.893 2.073 4.697 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.348 -0.253 6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.324 0.213 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.263 -1.139 5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.670 -2.427 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.292 -0.190 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.209 -3.669 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.821 -1.428 0.746 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.359 -2.990 0.587 1.00 0.00 H new ATOM 409 N ASN A 26 -5.616 0.424 8.103 1.00 0.00 N ATOM 410 CA ASN A 26 -4.680 0.879 9.131 1.00 0.00 C ATOM 411 C ASN A 26 -3.395 0.074 9.033 1.00 0.00 C ATOM 412 O ASN A 26 -2.379 0.408 9.646 1.00 0.00 O ATOM 413 CB ASN A 26 -5.280 0.738 10.540 1.00 0.00 C ATOM 414 CG ASN A 26 -6.460 1.660 10.797 1.00 0.00 C ATOM 415 OD1 ASN A 26 -6.980 1.723 11.911 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.903 2.373 9.772 1.00 0.00 N ATOM 0 H ASN A 26 -6.229 -0.336 8.399 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.471 1.935 8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.598 -0.294 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.504 0.942 11.278 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.699 2.999 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.448 2.296 8.862 1.00 0.00 H new ATOM 423 N SER A 27 -3.459 -0.989 8.244 1.00 0.00 N ATOM 424 CA SER A 27 -2.328 -1.866 8.021 1.00 0.00 C ATOM 425 C SER A 27 -2.248 -2.232 6.545 1.00 0.00 C ATOM 426 O SER A 27 -3.155 -1.916 5.773 1.00 0.00 O ATOM 427 CB SER A 27 -2.466 -3.129 8.878 1.00 0.00 C ATOM 428 OG SER A 27 -3.743 -3.732 8.706 1.00 0.00 O ATOM 0 H SER A 27 -4.302 -1.265 7.740 1.00 0.00 H new ATOM 0 HA SER A 27 -1.411 -1.352 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.686 -3.841 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.319 -2.877 9.928 1.00 0.00 H new ATOM 0 HG SER A 27 -3.803 -4.536 9.263 1.00 0.00 H new ATOM 434 N CYS A 28 -1.176 -2.897 6.149 1.00 0.00 N ATOM 435 CA CYS A 28 -1.013 -3.308 4.761 1.00 0.00 C ATOM 436 C CYS A 28 -1.922 -4.498 4.468 1.00 0.00 C ATOM 437 O CYS A 28 -2.035 -5.410 5.284 1.00 0.00 O ATOM 438 CB CYS A 28 0.451 -3.643 4.474 1.00 0.00 C ATOM 439 SG CYS A 28 1.581 -2.225 4.699 1.00 0.00 S ATOM 0 H CYS A 28 -0.408 -3.164 6.764 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.299 -2.487 4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.765 -4.455 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.538 -4.008 3.451 1.00 0.00 H new ATOM 444 N THR A 29 -2.592 -4.471 3.322 1.00 0.00 N ATOM 445 CA THR A 29 -3.511 -5.533 2.957 1.00 0.00 C ATOM 446 C THR A 29 -3.095 -6.203 1.650 1.00 0.00 C ATOM 447 O THR A 29 -2.251 -5.681 0.923 1.00 0.00 O ATOM 448 CB THR A 29 -4.937 -4.962 2.842 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.887 -5.990 2.621 1.00 0.00 O ATOM 450 CG2 THR A 29 -5.098 -3.937 1.733 1.00 0.00 C ATOM 0 H THR A 29 -2.514 -3.724 2.632 1.00 0.00 H new ATOM 0 HA THR A 29 -3.488 -6.295 3.737 1.00 0.00 H new ATOM 0 HB THR A 29 -5.113 -4.466 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.701 -5.798 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.128 -3.581 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.427 -3.097 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.855 -4.396 0.775 1.00 0.00 H new ATOM 458 N ASP A 30 -3.703 -7.353 1.357 1.00 0.00 N ATOM 459 CA ASP A 30 -3.418 -8.086 0.127 1.00 0.00 C ATOM 460 C ASP A 30 -4.591 -7.951 -0.829 1.00 0.00 C ATOM 461 O ASP A 30 -4.639 -8.600 -1.876 1.00 0.00 O ATOM 462 CB ASP A 30 -3.153 -9.571 0.375 1.00 0.00 C ATOM 463 CG ASP A 30 -3.013 -9.958 1.831 1.00 0.00 C ATOM 464 OD1 ASP A 30 -3.982 -9.764 2.599 1.00 0.00 O ATOM 465 OD2 ASP A 30 -1.954 -10.487 2.207 1.00 0.00 O ATOM 0 H ASP A 30 -4.398 -7.797 1.958 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.514 -7.653 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.967 -10.149 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.242 -9.855 -0.151 1.00 0.00 H new ATOM 470 N THR A 31 -5.547 -7.117 -0.439 1.00 0.00 N ATOM 471 CA THR A 31 -6.747 -6.887 -1.226 1.00 0.00 C ATOM 472 C THR A 31 -6.395 -6.289 -2.578 1.00 0.00 C ATOM 473 O THR A 31 -5.569 -5.381 -2.667 1.00 0.00 O ATOM 474 CB THR A 31 -7.679 -5.931 -0.486 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.871 -6.339 0.860 1.00 0.00 O ATOM 476 CG2 THR A 31 -9.045 -5.810 -1.121 1.00 0.00 C ATOM 0 H THR A 31 -5.511 -6.583 0.430 1.00 0.00 H new ATOM 0 HA THR A 31 -7.244 -7.845 -1.378 1.00 0.00 H new ATOM 0 HB THR A 31 -7.181 -4.963 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.061 -6.149 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.654 -5.115 -0.543 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.941 -5.440 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.527 -6.788 -1.137 1.00 0.00 H new ATOM 484 N GLY A 32 -7.034 -6.791 -3.622 1.00 0.00 N ATOM 485 CA GLY A 32 -6.785 -6.282 -4.950 1.00 0.00 C ATOM 486 C GLY A 32 -5.569 -6.910 -5.601 1.00 0.00 C ATOM 487 O GLY A 32 -5.309 -6.681 -6.783 1.00 0.00 O ATOM 0 H GLY A 32 -7.721 -7.543 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.660 -6.464 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.648 -5.202 -4.900 1.00 0.00 H new ATOM 491 N ARG A 33 -4.815 -7.695 -4.837 1.00 0.00 N ATOM 492 CA ARG A 33 -3.619 -8.348 -5.361 1.00 0.00 C ATOM 493 C ARG A 33 -3.955 -9.723 -5.919 1.00 0.00 C ATOM 494 O ARG A 33 -5.124 -10.099 -5.993 1.00 0.00 O ATOM 495 CB ARG A 33 -2.546 -8.463 -4.277 1.00 0.00 C ATOM 496 CG ARG A 33 -2.111 -7.117 -3.714 1.00 0.00 C ATOM 497 CD ARG A 33 -1.613 -6.182 -4.806 1.00 0.00 C ATOM 498 NE ARG A 33 -0.445 -6.723 -5.509 1.00 0.00 N ATOM 499 CZ ARG A 33 0.254 -6.039 -6.413 1.00 0.00 C ATOM 500 NH1 ARG A 33 -0.029 -4.762 -6.642 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.267 -6.611 -7.050 1.00 0.00 N ATOM 0 H ARG A 33 -5.010 -7.894 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.227 -7.733 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.925 -9.083 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.676 -8.975 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.948 -6.653 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.322 -7.269 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.415 -6.003 -5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.356 -5.218 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.152 -7.676 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.781 -4.306 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.506 -4.237 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.514 -7.580 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.799 -6.082 -7.741 1.00 0.00 H new ATOM 515 N SER A 34 -2.932 -10.464 -6.321 1.00 0.00 N ATOM 516 CA SER A 34 -3.139 -11.790 -6.886 1.00 0.00 C ATOM 517 C SER A 34 -2.358 -12.861 -6.127 1.00 0.00 C ATOM 518 O SER A 34 -2.776 -14.016 -6.073 1.00 0.00 O ATOM 519 CB SER A 34 -2.725 -11.800 -8.360 1.00 0.00 C ATOM 520 OG SER A 34 -3.317 -10.719 -9.068 1.00 0.00 O ATOM 0 H SER A 34 -1.956 -10.172 -6.267 1.00 0.00 H new ATOM 0 HA SER A 34 -4.200 -12.023 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.639 -11.737 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.022 -12.744 -8.817 1.00 0.00 H new ATOM 0 HG SER A 34 -3.035 -10.748 -10.006 1.00 0.00 H new ATOM 526 N ASP A 35 -1.209 -12.492 -5.565 1.00 0.00 N ATOM 527 CA ASP A 35 -0.388 -13.452 -4.857 1.00 0.00 C ATOM 528 C ASP A 35 -0.366 -13.225 -3.354 1.00 0.00 C ATOM 529 O ASP A 35 0.523 -13.725 -2.662 1.00 0.00 O ATOM 530 CB ASP A 35 1.021 -13.421 -5.398 1.00 0.00 C ATOM 531 CG ASP A 35 1.144 -14.058 -6.759 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.713 -15.215 -6.917 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.686 -13.408 -7.673 1.00 0.00 O ATOM 0 H ASP A 35 -0.834 -11.544 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.836 -14.432 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.360 -12.386 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.683 -13.935 -4.701 1.00 0.00 H new ATOM 538 N GLY A 36 -1.346 -12.496 -2.848 1.00 0.00 N ATOM 539 CA GLY A 36 -1.420 -12.245 -1.423 1.00 0.00 C ATOM 540 C GLY A 36 -0.263 -11.419 -0.893 1.00 0.00 C ATOM 541 O GLY A 36 0.233 -11.677 0.204 1.00 0.00 O ATOM 0 H GLY A 36 -2.093 -12.072 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.355 -11.731 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.447 -13.198 -0.895 1.00 0.00 H new ATOM 545 N PHE A 37 0.163 -10.418 -1.652 1.00 0.00 N ATOM 546 CA PHE A 37 1.254 -9.560 -1.209 1.00 0.00 C ATOM 547 C PHE A 37 0.687 -8.359 -0.473 1.00 0.00 C ATOM 548 O PHE A 37 -0.275 -7.739 -0.934 1.00 0.00 O ATOM 549 CB PHE A 37 2.118 -9.087 -2.385 1.00 0.00 C ATOM 550 CG PHE A 37 2.914 -10.167 -3.062 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.690 -11.047 -2.327 1.00 0.00 C ATOM 552 CD2 PHE A 37 2.892 -10.293 -4.441 1.00 0.00 C ATOM 553 CE1 PHE A 37 4.427 -12.034 -2.953 1.00 0.00 C ATOM 554 CE2 PHE A 37 3.627 -11.280 -5.072 1.00 0.00 C ATOM 555 CZ PHE A 37 4.394 -12.150 -4.327 1.00 0.00 C ATOM 0 H PHE A 37 -0.224 -10.182 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 37 1.891 -10.141 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.471 -8.615 -3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.805 -8.320 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.720 -10.961 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.294 -9.613 -5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.028 -12.714 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.600 -11.369 -6.148 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.968 -12.921 -4.818 1.00 0.00 H new ATOM 565 N LEU A 38 1.283 -8.030 0.662 1.00 0.00 N ATOM 566 CA LEU A 38 0.833 -6.896 1.454 1.00 0.00 C ATOM 567 C LEU A 38 1.325 -5.606 0.835 1.00 0.00 C ATOM 568 O LEU A 38 2.513 -5.461 0.550 1.00 0.00 O ATOM 569 CB LEU A 38 1.338 -7.008 2.886 1.00 0.00 C ATOM 570 CG LEU A 38 0.806 -8.203 3.672 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.534 -8.337 4.996 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.683 -8.052 3.911 1.00 0.00 C ATOM 0 H LEU A 38 2.079 -8.532 1.055 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.257 -6.895 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.427 -7.062 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.073 -6.095 3.420 1.00 0.00 H new ATOM 0 HG LEU A 38 0.981 -9.106 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.141 -9.194 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.599 -8.481 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.386 -7.432 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.050 -8.911 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.870 -7.140 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.201 -7.996 2.954 1.00 0.00 H new ATOM 584 N TRP A 39 0.418 -4.670 0.622 1.00 0.00 N ATOM 585 CA TRP A 39 0.782 -3.401 0.025 1.00 0.00 C ATOM 586 C TRP A 39 0.112 -2.244 0.750 1.00 0.00 C ATOM 587 O TRP A 39 -0.738 -2.441 1.622 1.00 0.00 O ATOM 588 CB TRP A 39 0.423 -3.373 -1.468 1.00 0.00 C ATOM 589 CG TRP A 39 -1.050 -3.434 -1.741 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.827 -4.551 -1.774 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.926 -2.331 -2.003 1.00 0.00 C ATOM 592 NE1 TRP A 39 -3.122 -4.217 -2.062 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.213 -2.863 -2.205 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.753 -0.951 -2.100 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.311 -2.064 -2.487 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.849 -0.159 -2.377 1.00 0.00 C ATOM 597 CH2 TRP A 39 -4.114 -0.721 -2.571 1.00 0.00 C ATOM 0 H TRP A 39 -0.571 -4.765 0.853 1.00 0.00 H new ATOM 0 HA TRP A 39 1.862 -3.288 0.122 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.827 -2.463 -1.912 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.909 -4.213 -1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.472 -5.556 -1.598 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.896 -4.875 -2.155 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.778 -0.509 -1.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.290 -2.494 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.727 0.912 -2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.952 -0.076 -2.792 1.00 0.00 H new ATOM 608 N CYS A 40 0.508 -1.042 0.379 1.00 0.00 N ATOM 609 CA CYS A 40 -0.025 0.175 0.960 1.00 0.00 C ATOM 610 C CYS A 40 0.054 1.289 -0.070 1.00 0.00 C ATOM 611 O CYS A 40 0.699 1.126 -1.106 1.00 0.00 O ATOM 612 CB CYS A 40 0.785 0.559 2.195 1.00 0.00 C ATOM 613 SG CYS A 40 2.547 0.876 1.847 1.00 0.00 S ATOM 0 H CYS A 40 1.214 -0.881 -0.339 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.062 0.016 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.346 1.450 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.707 -0.240 2.932 1.00 0.00 H new ATOM 618 N SER A 41 -0.575 2.418 0.208 1.00 0.00 N ATOM 619 CA SER A 41 -0.531 3.534 -0.720 1.00 0.00 C ATOM 620 C SER A 41 0.368 4.627 -0.162 1.00 0.00 C ATOM 621 O SER A 41 0.604 4.693 1.050 1.00 0.00 O ATOM 622 CB SER A 41 -1.933 4.088 -0.982 1.00 0.00 C ATOM 623 OG SER A 41 -1.966 4.889 -2.156 1.00 0.00 O ATOM 0 H SER A 41 -1.115 2.585 1.057 1.00 0.00 H new ATOM 0 HA SER A 41 -0.127 3.180 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.638 3.263 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.257 4.681 -0.127 1.00 0.00 H new ATOM 0 HG SER A 41 -1.211 4.653 -2.734 1.00 0.00 H new ATOM 629 N THR A 42 0.853 5.479 -1.049 1.00 0.00 N ATOM 630 CA THR A 42 1.717 6.585 -0.666 1.00 0.00 C ATOM 631 C THR A 42 0.868 7.821 -0.418 1.00 0.00 C ATOM 632 O THR A 42 1.176 8.654 0.433 1.00 0.00 O ATOM 633 CB THR A 42 2.737 6.850 -1.776 1.00 0.00 C ATOM 634 OG1 THR A 42 3.397 5.649 -2.143 1.00 0.00 O ATOM 635 CG2 THR A 42 3.793 7.862 -1.400 1.00 0.00 C ATOM 0 H THR A 42 0.661 5.425 -2.049 1.00 0.00 H new ATOM 0 HA THR A 42 2.255 6.335 0.248 1.00 0.00 H new ATOM 0 HB THR A 42 2.159 7.256 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.044 5.836 -2.855 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.480 7.998 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.317 8.813 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.345 7.506 -0.530 1.00 0.00 H new ATOM 643 N THR A 43 -0.217 7.914 -1.166 1.00 0.00 N ATOM 644 CA THR A 43 -1.146 9.012 -1.049 1.00 0.00 C ATOM 645 C THR A 43 -2.356 8.562 -0.237 1.00 0.00 C ATOM 646 O THR A 43 -2.384 7.433 0.260 1.00 0.00 O ATOM 647 CB THR A 43 -1.562 9.461 -2.448 1.00 0.00 C ATOM 648 OG1 THR A 43 -2.022 8.356 -3.208 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.438 10.112 -3.225 1.00 0.00 C ATOM 0 H THR A 43 -0.475 7.225 -1.873 1.00 0.00 H new ATOM 0 HA THR A 43 -0.680 9.853 -0.536 1.00 0.00 H new ATOM 0 HB THR A 43 -2.352 10.197 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.367 8.143 -3.905 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.800 10.408 -4.210 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.087 10.993 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.384 9.405 -3.338 1.00 0.00 H new ATOM 657 N TYR A 44 -3.356 9.419 -0.107 1.00 0.00 N ATOM 658 CA TYR A 44 -4.549 9.054 0.638 1.00 0.00 C ATOM 659 C TYR A 44 -5.485 8.256 -0.257 1.00 0.00 C ATOM 660 O TYR A 44 -5.902 7.156 0.091 1.00 0.00 O ATOM 661 CB TYR A 44 -5.261 10.290 1.194 1.00 0.00 C ATOM 662 CG TYR A 44 -6.375 9.945 2.161 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.135 9.139 3.271 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.663 10.420 1.969 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.149 8.819 4.155 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.682 10.104 2.847 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.420 9.303 3.939 1.00 0.00 C ATOM 668 OH TYR A 44 -9.432 8.988 4.819 1.00 0.00 O ATOM 0 H TYR A 44 -3.366 10.359 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.250 8.439 1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.533 10.926 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.671 10.869 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.140 8.757 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.874 11.049 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.945 8.192 5.011 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.679 10.483 2.679 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.266 9.410 4.523 1.00 0.00 H new ATOM 678 N ASN A 45 -5.798 8.802 -1.424 1.00 0.00 N ATOM 679 CA ASN A 45 -6.673 8.122 -2.367 1.00 0.00 C ATOM 680 C ASN A 45 -5.829 7.326 -3.368 1.00 0.00 C ATOM 681 O ASN A 45 -5.211 7.900 -4.265 1.00 0.00 O ATOM 682 CB ASN A 45 -7.567 9.147 -3.090 1.00 0.00 C ATOM 683 CG ASN A 45 -8.714 8.553 -3.856 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.644 9.266 -4.222 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.664 7.281 -4.154 1.00 0.00 N ATOM 0 H ASN A 45 -5.460 9.711 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.320 7.428 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.964 9.846 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.950 9.725 -3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.410 6.856 -4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.879 6.713 -3.836 1.00 0.00 H new ATOM 692 N PHE A 46 -5.792 6.005 -3.202 1.00 0.00 N ATOM 693 CA PHE A 46 -5.010 5.140 -4.086 1.00 0.00 C ATOM 694 C PHE A 46 -5.584 5.102 -5.501 1.00 0.00 C ATOM 695 O PHE A 46 -4.841 5.036 -6.475 1.00 0.00 O ATOM 696 CB PHE A 46 -4.931 3.718 -3.522 1.00 0.00 C ATOM 697 CG PHE A 46 -4.282 2.738 -4.473 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.911 2.756 -4.689 1.00 0.00 C ATOM 699 CD2 PHE A 46 -5.047 1.812 -5.168 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.322 1.872 -5.569 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.461 0.926 -6.051 1.00 0.00 C ATOM 702 CZ PHE A 46 -3.097 0.956 -6.251 1.00 0.00 C ATOM 0 H PHE A 46 -6.294 5.510 -2.465 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.007 5.563 -4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.370 3.735 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.937 3.372 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.298 3.471 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.116 1.784 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.254 1.897 -5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.070 0.211 -6.584 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.636 0.264 -6.940 1.00 0.00 H new ATOM 712 N GLU A 47 -6.905 5.124 -5.612 1.00 0.00 N ATOM 713 CA GLU A 47 -7.561 5.076 -6.916 1.00 0.00 C ATOM 714 C GLU A 47 -7.191 6.286 -7.776 1.00 0.00 C ATOM 715 O GLU A 47 -6.910 6.156 -8.969 1.00 0.00 O ATOM 716 CB GLU A 47 -9.073 5.037 -6.724 1.00 0.00 C ATOM 717 CG GLU A 47 -9.844 4.728 -7.991 1.00 0.00 C ATOM 718 CD GLU A 47 -11.339 4.788 -7.783 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.774 5.006 -6.638 1.00 0.00 O ATOM 720 OE2 GLU A 47 -12.078 4.623 -8.766 1.00 0.00 O ATOM 0 H GLU A 47 -7.544 5.175 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.222 4.177 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.315 4.287 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.405 5.999 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.559 5.437 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.569 3.736 -8.348 1.00 0.00 H new ATOM 727 N LYS A 48 -7.228 7.463 -7.167 1.00 0.00 N ATOM 728 CA LYS A 48 -6.933 8.711 -7.869 1.00 0.00 C ATOM 729 C LYS A 48 -5.456 8.831 -8.262 1.00 0.00 C ATOM 730 O LYS A 48 -5.139 9.066 -9.430 1.00 0.00 O ATOM 731 CB LYS A 48 -7.343 9.919 -6.998 1.00 0.00 C ATOM 732 CG LYS A 48 -6.653 11.240 -7.351 1.00 0.00 C ATOM 733 CD LYS A 48 -6.988 12.323 -6.342 1.00 0.00 C ATOM 734 CE LYS A 48 -6.213 13.599 -6.627 1.00 0.00 C ATOM 735 NZ LYS A 48 -4.745 13.352 -6.670 1.00 0.00 N ATOM 0 H LYS A 48 -7.461 7.583 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.514 8.703 -8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.421 10.057 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.131 9.684 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.574 11.092 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.961 11.559 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.058 12.530 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.757 11.971 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.540 14.019 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.435 14.340 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.240 14.201 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.510 12.550 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.458 13.132 -7.645 1.00 0.00 H new ATOM 749 N ASP A 49 -4.563 8.708 -7.282 1.00 0.00 N ATOM 750 CA ASP A 49 -3.131 8.845 -7.527 1.00 0.00 C ATOM 751 C ASP A 49 -2.525 7.580 -8.121 1.00 0.00 C ATOM 752 O ASP A 49 -1.986 7.603 -9.226 1.00 0.00 O ATOM 753 CB ASP A 49 -2.409 9.224 -6.233 1.00 0.00 C ATOM 754 CG ASP A 49 -2.642 10.664 -5.853 1.00 0.00 C ATOM 755 OD1 ASP A 49 -3.793 11.023 -5.540 1.00 0.00 O ATOM 756 OD2 ASP A 49 -1.671 11.439 -5.882 1.00 0.00 O ATOM 0 H ASP A 49 -4.807 8.514 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.000 9.640 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.751 8.577 -5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.340 9.049 -6.351 1.00 0.00 H new ATOM 761 N GLY A 50 -2.625 6.484 -7.394 1.00 0.00 N ATOM 762 CA GLY A 50 -2.091 5.226 -7.884 1.00 0.00 C ATOM 763 C GLY A 50 -0.711 4.889 -7.346 1.00 0.00 C ATOM 764 O GLY A 50 -0.047 3.991 -7.862 1.00 0.00 O ATOM 0 H GLY A 50 -3.064 6.437 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.779 4.423 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.047 5.261 -8.973 1.00 0.00 H new ATOM 768 N LYS A 51 -0.282 5.588 -6.302 1.00 0.00 N ATOM 769 CA LYS A 51 1.023 5.326 -5.701 1.00 0.00 C ATOM 770 C LYS A 51 0.917 4.197 -4.680 1.00 0.00 C ATOM 771 O LYS A 51 0.094 4.260 -3.766 1.00 0.00 O ATOM 772 CB LYS A 51 1.582 6.578 -5.020 1.00 0.00 C ATOM 773 CG LYS A 51 2.059 7.659 -5.969 1.00 0.00 C ATOM 774 CD LYS A 51 0.950 8.612 -6.381 1.00 0.00 C ATOM 775 CE LYS A 51 1.519 9.811 -7.125 1.00 0.00 C ATOM 776 NZ LYS A 51 0.489 10.848 -7.402 1.00 0.00 N ATOM 0 H LYS A 51 -0.813 6.336 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 51 1.704 5.033 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.812 6.997 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.413 6.285 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.860 8.225 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.482 7.194 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.233 8.091 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.407 8.950 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.325 10.251 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.957 9.477 -8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.956 11.746 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.104 10.544 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.106 10.980 -6.559 1.00 0.00 H new ATOM 790 N TYR A 52 1.739 3.163 -4.840 1.00 0.00 N ATOM 791 CA TYR A 52 1.724 2.025 -3.941 1.00 0.00 C ATOM 792 C TYR A 52 3.099 1.376 -3.861 1.00 0.00 C ATOM 793 O TYR A 52 4.032 1.746 -4.578 1.00 0.00 O ATOM 794 CB TYR A 52 0.725 0.976 -4.437 1.00 0.00 C ATOM 795 CG TYR A 52 1.254 0.149 -5.586 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.513 0.716 -6.829 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.516 -1.199 -5.413 1.00 0.00 C ATOM 798 CE1 TYR A 52 2.014 -0.048 -7.864 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.016 -1.967 -6.443 1.00 0.00 C ATOM 800 CZ TYR A 52 2.262 -1.386 -7.664 1.00 0.00 C ATOM 801 OH TYR A 52 2.760 -2.146 -8.692 1.00 0.00 O ATOM 0 H TYR A 52 2.426 3.095 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 52 1.435 2.387 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.463 0.314 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.192 1.476 -4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.320 1.767 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.325 -1.657 -4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.210 0.403 -8.826 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.213 -3.018 -6.291 1.00 0.00 H new ATOM 0 HH TYR A 52 2.880 -3.070 -8.387 1.00 0.00 H new ATOM 811 N GLY A 53 3.185 0.379 -3.005 1.00 0.00 N ATOM 812 CA GLY A 53 4.395 -0.375 -2.828 1.00 0.00 C ATOM 813 C GLY A 53 4.138 -1.534 -1.895 1.00 0.00 C ATOM 814 O GLY A 53 3.074 -1.592 -1.276 1.00 0.00 O ATOM 0 H GLY A 53 2.412 0.073 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.751 -0.742 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.178 0.265 -2.422 1.00 0.00 H new ATOM 818 N PHE A 54 5.071 -2.467 -1.795 1.00 0.00 N ATOM 819 CA PHE A 54 4.869 -3.619 -0.931 1.00 0.00 C ATOM 820 C PHE A 54 5.318 -3.338 0.489 1.00 0.00 C ATOM 821 O PHE A 54 6.184 -2.496 0.730 1.00 0.00 O ATOM 822 CB PHE A 54 5.554 -4.843 -1.510 1.00 0.00 C ATOM 823 CG PHE A 54 4.934 -5.258 -2.809 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.595 -5.619 -2.863 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.673 -5.258 -3.978 1.00 0.00 C ATOM 826 CE1 PHE A 54 3.008 -5.974 -4.059 1.00 0.00 C ATOM 827 CE2 PHE A 54 5.092 -5.618 -5.179 1.00 0.00 C ATOM 828 CZ PHE A 54 3.757 -5.974 -5.220 1.00 0.00 C ATOM 0 H PHE A 54 5.961 -2.451 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 54 3.800 -3.825 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.612 -4.631 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.493 -5.666 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.006 -5.622 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.715 -4.974 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.965 -6.252 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.680 -5.621 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.300 -6.252 -6.158 1.00 0.00 H new ATOM 838 N CYS A 55 4.681 -4.027 1.419 1.00 0.00 N ATOM 839 CA CYS A 55 4.938 -3.862 2.841 1.00 0.00 C ATOM 840 C CYS A 55 6.003 -4.823 3.348 1.00 0.00 C ATOM 841 O CYS A 55 5.779 -6.032 3.405 1.00 0.00 O ATOM 842 CB CYS A 55 3.646 -4.125 3.603 1.00 0.00 C ATOM 843 SG CYS A 55 3.390 -3.073 5.063 1.00 0.00 S ATOM 0 H CYS A 55 3.965 -4.722 1.208 1.00 0.00 H new ATOM 0 HA CYS A 55 5.298 -2.846 3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.806 -3.988 2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.633 -5.168 3.918 1.00 0.00 H new ATOM 848 N PRO A 56 7.164 -4.300 3.752 1.00 0.00 N ATOM 849 CA PRO A 56 8.247 -5.104 4.294 1.00 0.00 C ATOM 850 C PRO A 56 8.115 -5.233 5.812 1.00 0.00 C ATOM 851 O PRO A 56 7.132 -4.770 6.393 1.00 0.00 O ATOM 852 CB PRO A 56 9.473 -4.278 3.918 1.00 0.00 C ATOM 853 CG PRO A 56 9.007 -2.857 3.998 1.00 0.00 C ATOM 854 CD PRO A 56 7.513 -2.868 3.744 1.00 0.00 C ATOM 0 HA PRO A 56 8.275 -6.126 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.301 -4.463 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.826 -4.524 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.229 -2.432 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.520 -2.240 3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.972 -2.320 4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.266 -2.402 2.790 1.00 0.00 H new ATOM 862 N HIS A 57 9.101 -5.827 6.463 1.00 0.00 N ATOM 863 CA HIS A 57 9.058 -5.951 7.913 1.00 0.00 C ATOM 864 C HIS A 57 10.286 -5.293 8.524 1.00 0.00 C ATOM 865 O HIS A 57 11.325 -5.171 7.872 1.00 0.00 O ATOM 866 CB HIS A 57 8.903 -7.415 8.378 1.00 0.00 C ATOM 867 CG HIS A 57 10.016 -8.352 8.009 1.00 0.00 C ATOM 868 ND1 HIS A 57 10.029 -9.672 8.406 1.00 0.00 N ATOM 869 CD2 HIS A 57 11.138 -8.176 7.269 1.00 0.00 C ATOM 870 CE1 HIS A 57 11.106 -10.265 7.922 1.00 0.00 C ATOM 871 NE2 HIS A 57 11.794 -9.380 7.230 1.00 0.00 N ATOM 0 H HIS A 57 9.929 -6.226 6.021 1.00 0.00 H new ATOM 0 HA HIS A 57 8.168 -5.431 8.267 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.797 -7.420 9.463 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.974 -7.808 7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.456 -7.258 6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.377 -11.300 8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.672 -9.561 6.744 1.00 0.00 H new ATOM 879 N GLU A 58 10.163 -4.846 9.759 1.00 0.00 N ATOM 880 CA GLU A 58 11.266 -4.183 10.436 1.00 0.00 C ATOM 881 C GLU A 58 11.919 -5.111 11.451 1.00 0.00 C ATOM 882 O GLU A 58 13.126 -5.024 11.696 1.00 0.00 O ATOM 883 CB GLU A 58 10.791 -2.886 11.109 1.00 0.00 C ATOM 884 CG GLU A 58 9.696 -3.068 12.151 1.00 0.00 C ATOM 885 CD GLU A 58 9.301 -1.766 12.806 1.00 0.00 C ATOM 886 OE1 GLU A 58 10.143 -1.185 13.515 1.00 0.00 O ATOM 887 OE2 GLU A 58 8.154 -1.317 12.611 1.00 0.00 O ATOM 0 H GLU A 58 9.312 -4.929 10.315 1.00 0.00 H new ATOM 0 HA GLU A 58 12.014 -3.924 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.647 -2.405 11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.429 -2.205 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.820 -3.514 11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.038 -3.767 12.915 1.00 0.00 H new ATOM 894 N ALA A 59 11.121 -5.997 12.036 1.00 0.00 N ATOM 895 CA ALA A 59 11.615 -6.947 13.024 1.00 0.00 C ATOM 896 C ALA A 59 10.609 -8.070 13.237 1.00 0.00 C ATOM 897 O ALA A 59 10.403 -8.867 12.303 1.00 0.00 O ATOM 898 CB ALA A 59 11.904 -6.245 14.344 1.00 0.00 C ATOM 0 H ALA A 59 10.123 -6.077 11.841 1.00 0.00 H new ATOM 0 HA ALA A 59 12.543 -7.377 12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.272 -6.971 15.069 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.658 -5.473 14.188 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.989 -5.788 14.721 1.00 0.00 H new TER 904 ALA A 59