USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 283 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 28 LYS NZ :NH3+ 179:sc= 0.782 (180deg=-0.197) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0.827 USER MOD Set 2.1: A 11 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 12 GLN : amide:sc= 0.971 K(o=2.2,f=-8!) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 2.26 (180deg=1.62) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.289 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.09) USER MOD Single : A 20 GLN : amide:sc= 0.125 X(o=0.12,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.742 K(o=0.74,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.304) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= 2.07 (180deg=0.515) USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 2.943 2.065 -2.573 1.00 1.00 N ATOM 18 CA VAL A 2 3.078 3.394 -3.091 1.00 1.00 C ATOM 19 C VAL A 2 2.881 3.091 -4.546 1.00 1.00 C ATOM 20 O VAL A 2 3.401 2.108 -5.064 1.00 1.00 O ATOM 21 CB VAL A 2 4.443 4.039 -2.882 1.00 1.00 C ATOM 22 CG1 VAL A 2 4.488 5.443 -3.517 1.00 1.00 C ATOM 23 CG2 VAL A 2 4.747 4.129 -1.374 1.00 1.00 C ATOM 0 HA VAL A 2 2.403 4.106 -2.616 1.00 1.00 H new ATOM 0 HB VAL A 2 5.199 3.422 -3.367 1.00 1.00 H new ATOM 0 HG11 VAL A 2 5.472 5.884 -3.355 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.297 5.365 -4.587 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.727 6.074 -3.058 1.00 1.00 H new ATOM 0 HG21 VAL A 2 5.723 4.590 -1.227 1.00 1.00 H new ATOM 0 HG22 VAL A 2 3.983 4.732 -0.884 1.00 1.00 H new ATOM 0 HG23 VAL A 2 4.750 3.128 -0.943 1.00 1.00 H new ATOM 33 N ILE A 3 2.044 3.877 -5.192 1.00 1.00 N ATOM 34 CA ILE A 3 1.735 3.884 -6.568 1.00 1.00 C ATOM 35 C ILE A 3 2.022 5.300 -6.979 1.00 1.00 C ATOM 36 O ILE A 3 1.986 6.239 -6.184 1.00 1.00 O ATOM 37 CB ILE A 3 0.260 3.605 -6.846 1.00 1.00 C ATOM 38 CG1 ILE A 3 -0.533 3.214 -5.572 1.00 1.00 C ATOM 39 CG2 ILE A 3 0.250 2.503 -7.914 1.00 1.00 C ATOM 40 CD1 ILE A 3 -1.980 2.792 -5.865 1.00 1.00 C ATOM 0 H ILE A 3 1.519 4.595 -4.693 1.00 1.00 H new ATOM 0 HA ILE A 3 2.300 3.116 -7.097 1.00 1.00 H new ATOM 0 HB ILE A 3 -0.251 4.502 -7.196 1.00 1.00 H new ATOM 0 HG12 ILE A 3 -0.018 2.396 -5.068 1.00 1.00 H new ATOM 0 HG13 ILE A 3 -0.540 4.059 -4.883 1.00 1.00 H new ATOM 0 HG21 ILE A 3 -0.780 2.249 -8.165 1.00 1.00 H new ATOM 0 HG22 ILE A 3 0.765 2.857 -8.807 1.00 1.00 H new ATOM 0 HG23 ILE A 3 0.758 1.619 -7.529 1.00 1.00 H new ATOM 0 HD11 ILE A 3 -2.479 2.531 -4.932 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -2.510 3.617 -6.342 1.00 1.00 H new ATOM 0 HD13 ILE A 3 -1.980 1.928 -6.530 1.00 1.00 H new ATOM 52 N ASP A 4 2.236 5.469 -8.273 1.00 1.00 N ATOM 53 CA ASP A 4 2.476 6.707 -8.956 1.00 1.00 C ATOM 54 C ASP A 4 1.171 7.279 -9.489 1.00 1.00 C ATOM 55 O ASP A 4 1.009 7.682 -10.641 1.00 1.00 O ATOM 56 CB ASP A 4 3.611 6.587 -10.003 1.00 1.00 C ATOM 57 CG ASP A 4 4.413 7.867 -10.013 1.00 1.00 C ATOM 58 OD1 ASP A 4 3.906 8.928 -10.462 1.00 1.00 O ATOM 59 OD2 ASP A 4 5.544 7.861 -9.477 1.00 1.00 O ATOM 0 H ASP A 4 2.245 4.675 -8.914 1.00 1.00 H new ATOM 0 HA ASP A 4 2.855 7.439 -8.243 1.00 1.00 H new ATOM 0 HB2 ASP A 4 4.256 5.741 -9.763 1.00 1.00 H new ATOM 0 HB3 ASP A 4 3.192 6.398 -10.991 1.00 1.00 H new ATOM 64 N VAL A 5 0.204 7.349 -8.570 1.00 1.00 N ATOM 65 CA VAL A 5 -1.008 8.104 -8.700 1.00 1.00 C ATOM 66 C VAL A 5 -0.724 9.433 -8.043 1.00 1.00 C ATOM 67 O VAL A 5 -0.372 9.499 -6.864 1.00 1.00 O ATOM 68 CB VAL A 5 -2.214 7.434 -8.053 1.00 1.00 C ATOM 69 CG1 VAL A 5 -3.463 8.332 -8.181 1.00 1.00 C ATOM 70 CG2 VAL A 5 -2.472 6.085 -8.752 1.00 1.00 C ATOM 0 H VAL A 5 0.264 6.852 -7.681 1.00 1.00 H new ATOM 0 HA VAL A 5 -1.276 8.199 -9.752 1.00 1.00 H new ATOM 0 HB VAL A 5 -2.010 7.273 -6.994 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -4.315 7.839 -7.714 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -3.278 9.285 -7.685 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -3.678 8.508 -9.235 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -3.334 5.598 -8.296 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -2.670 6.256 -9.810 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -1.595 5.446 -8.645 1.00 1.00 H new ATOM 80 N LYS A 6 -0.803 10.526 -8.817 1.00 1.00 N ATOM 81 CA LYS A 6 -0.518 11.862 -8.350 1.00 1.00 C ATOM 82 C LYS A 6 -1.833 12.474 -7.922 1.00 1.00 C ATOM 83 O LYS A 6 -2.860 12.315 -8.580 1.00 1.00 O ATOM 84 CB LYS A 6 0.239 12.766 -9.367 1.00 1.00 C ATOM 85 CG LYS A 6 0.374 12.248 -10.817 1.00 1.00 C ATOM 86 CD LYS A 6 1.433 11.138 -10.995 1.00 1.00 C ATOM 87 CE LYS A 6 1.542 10.601 -12.429 1.00 1.00 C ATOM 88 NZ LYS A 6 2.246 9.306 -12.419 1.00 1.00 N ATOM 0 H LYS A 6 -1.073 10.490 -9.800 1.00 1.00 H new ATOM 0 HA LYS A 6 0.180 11.790 -7.516 1.00 1.00 H new ATOM 0 HB2 LYS A 6 -0.266 13.731 -9.400 1.00 1.00 H new ATOM 0 HB3 LYS A 6 1.242 12.944 -8.978 1.00 1.00 H new ATOM 0 HG2 LYS A 6 -0.593 11.869 -11.147 1.00 1.00 H new ATOM 0 HG3 LYS A 6 0.627 13.085 -11.468 1.00 1.00 H new ATOM 0 HD2 LYS A 6 2.405 11.525 -10.688 1.00 1.00 H new ATOM 0 HD3 LYS A 6 1.194 10.311 -10.326 1.00 1.00 H new ATOM 0 HE2 LYS A 6 0.548 10.483 -12.861 1.00 1.00 H new ATOM 0 HE3 LYS A 6 2.079 11.314 -13.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 2.484 9.033 -13.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 3.119 9.390 -11.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 1.632 8.580 -11.997 1.00 1.00 H new ATOM 102 N CYS A 7 -1.845 13.118 -6.750 1.00 1.00 N ATOM 103 CA CYS A 7 -3.080 13.475 -6.104 1.00 1.00 C ATOM 104 C CYS A 7 -3.181 14.873 -5.546 1.00 1.00 C ATOM 105 O CYS A 7 -2.250 15.472 -5.019 1.00 1.00 O ATOM 106 CB CYS A 7 -3.439 12.471 -4.986 1.00 1.00 C ATOM 107 SG CYS A 7 -2.024 11.873 -4.006 1.00 1.00 S ATOM 0 H CYS A 7 -1.005 13.396 -6.242 1.00 1.00 H new ATOM 0 HA CYS A 7 -3.794 13.438 -6.927 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -4.156 12.941 -4.312 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -3.939 11.613 -5.435 1.00 1.00 H new ATOM 112 N THR A 8 -4.427 15.368 -5.626 1.00 1.00 N ATOM 113 CA THR A 8 -4.941 16.564 -4.967 1.00 1.00 C ATOM 114 C THR A 8 -5.932 16.154 -3.891 1.00 1.00 C ATOM 115 O THR A 8 -6.247 16.867 -2.946 1.00 1.00 O ATOM 116 CB THR A 8 -5.559 17.544 -5.975 1.00 1.00 C ATOM 117 OG1 THR A 8 -6.233 18.639 -5.370 1.00 1.00 O ATOM 118 CG2 THR A 8 -6.596 16.848 -6.873 1.00 1.00 C ATOM 0 H THR A 8 -5.142 14.909 -6.190 1.00 1.00 H new ATOM 0 HA THR A 8 -4.114 17.096 -4.496 1.00 1.00 H new ATOM 0 HB THR A 8 -4.705 17.910 -6.545 1.00 1.00 H new ATOM 0 HG1 THR A 8 -6.600 19.222 -6.067 1.00 1.00 H new ATOM 0 HG21 THR A 8 -7.013 17.571 -7.574 1.00 1.00 H new ATOM 0 HG22 THR A 8 -6.115 16.041 -7.426 1.00 1.00 H new ATOM 0 HG23 THR A 8 -7.395 16.438 -6.256 1.00 1.00 H new ATOM 126 N SER A 9 -6.418 14.912 -3.989 1.00 1.00 N ATOM 127 CA SER A 9 -7.347 14.317 -3.048 1.00 1.00 C ATOM 128 C SER A 9 -6.909 12.888 -2.870 1.00 1.00 C ATOM 129 O SER A 9 -6.461 12.301 -3.858 1.00 1.00 O ATOM 130 CB SER A 9 -8.808 14.273 -3.593 1.00 1.00 C ATOM 131 OG SER A 9 -9.746 13.614 -2.735 1.00 1.00 O ATOM 0 H SER A 9 -6.163 14.283 -4.750 1.00 1.00 H new ATOM 0 HA SER A 9 -7.342 14.908 -2.132 1.00 1.00 H new ATOM 0 HB2 SER A 9 -9.148 15.294 -3.765 1.00 1.00 H new ATOM 0 HB3 SER A 9 -8.806 13.771 -4.560 1.00 1.00 H new ATOM 0 HG SER A 9 -10.635 13.631 -3.147 1.00 1.00 H new ATOM 137 N PRO A 10 -7.063 12.242 -1.719 1.00 1.00 N ATOM 138 CA PRO A 10 -6.892 10.794 -1.604 1.00 1.00 C ATOM 139 C PRO A 10 -7.856 10.019 -2.468 1.00 1.00 C ATOM 140 O PRO A 10 -7.543 8.897 -2.863 1.00 1.00 O ATOM 141 CB PRO A 10 -7.188 10.537 -0.120 1.00 1.00 C ATOM 142 CG PRO A 10 -8.105 11.676 0.309 1.00 1.00 C ATOM 143 CD PRO A 10 -7.523 12.848 -0.458 1.00 1.00 C ATOM 0 HA PRO A 10 -5.904 10.472 -1.933 1.00 1.00 H new ATOM 0 HB2 PRO A 10 -7.669 9.569 0.024 1.00 1.00 H new ATOM 0 HB3 PRO A 10 -6.271 10.527 0.468 1.00 1.00 H new ATOM 0 HG2 PRO A 10 -9.144 11.487 0.041 1.00 1.00 H new ATOM 0 HG3 PRO A 10 -8.078 11.839 1.386 1.00 1.00 H new ATOM 0 HD2 PRO A 10 -8.270 13.622 -0.634 1.00 1.00 H new ATOM 0 HD3 PRO A 10 -6.702 13.315 0.086 1.00 1.00 H new ATOM 151 N LYS A 11 -9.018 10.614 -2.824 1.00 1.00 N ATOM 152 CA LYS A 11 -10.083 9.928 -3.547 1.00 1.00 C ATOM 153 C LYS A 11 -9.603 9.335 -4.859 1.00 1.00 C ATOM 154 O LYS A 11 -9.939 8.220 -5.245 1.00 1.00 O ATOM 155 CB LYS A 11 -11.289 10.887 -3.770 1.00 1.00 C ATOM 156 CG LYS A 11 -12.583 10.225 -4.293 1.00 1.00 C ATOM 157 CD LYS A 11 -12.732 10.098 -5.827 1.00 1.00 C ATOM 158 CE LYS A 11 -13.473 11.242 -6.534 1.00 1.00 C ATOM 159 NZ LYS A 11 -12.726 12.509 -6.423 1.00 1.00 N ATOM 0 H LYS A 11 -9.232 11.588 -2.611 1.00 1.00 H new ATOM 0 HA LYS A 11 -10.410 9.091 -2.931 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -11.513 11.385 -2.827 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -10.988 11.662 -4.475 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -12.652 9.226 -3.861 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -13.432 10.795 -3.915 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -11.736 10.015 -6.262 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -13.254 9.166 -6.044 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -13.616 10.992 -7.585 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -14.464 11.362 -6.097 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -13.033 13.160 -7.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -12.910 12.940 -5.495 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -11.708 12.322 -6.522 1.00 1.00 H new ATOM 173 N GLN A 12 -8.710 10.074 -5.531 1.00 1.00 N ATOM 174 CA GLN A 12 -8.128 9.732 -6.814 1.00 1.00 C ATOM 175 C GLN A 12 -7.345 8.432 -6.816 1.00 1.00 C ATOM 176 O GLN A 12 -7.198 7.782 -7.846 1.00 1.00 O ATOM 177 CB GLN A 12 -7.203 10.878 -7.308 1.00 1.00 C ATOM 178 CG GLN A 12 -7.836 12.293 -7.261 1.00 1.00 C ATOM 179 CD GLN A 12 -9.148 12.386 -8.041 1.00 1.00 C ATOM 180 OE1 GLN A 12 -10.242 12.444 -7.467 1.00 1.00 O ATOM 181 NE2 GLN A 12 -9.041 12.421 -9.386 1.00 1.00 N ATOM 0 H GLN A 12 -8.365 10.964 -5.170 1.00 1.00 H new ATOM 0 HA GLN A 12 -8.974 9.593 -7.488 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -6.297 10.881 -6.702 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -6.900 10.665 -8.333 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -8.017 12.570 -6.222 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -7.127 13.016 -7.665 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -8.122 12.371 -9.826 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -9.879 12.498 -9.962 1.00 1.00 H new ATOM 190 N CYS A 13 -6.843 8.021 -5.647 1.00 1.00 N ATOM 191 CA CYS A 13 -6.077 6.796 -5.524 1.00 1.00 C ATOM 192 C CYS A 13 -6.882 5.662 -4.904 1.00 1.00 C ATOM 193 O CYS A 13 -6.453 4.507 -4.847 1.00 1.00 O ATOM 194 CB CYS A 13 -4.816 7.118 -4.713 1.00 1.00 C ATOM 195 SG CYS A 13 -3.614 5.751 -4.640 1.00 1.00 S ATOM 0 H CYS A 13 -6.960 8.530 -4.771 1.00 1.00 H new ATOM 0 HA CYS A 13 -5.804 6.435 -6.515 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -4.331 7.992 -5.147 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -5.108 7.386 -3.698 1.00 1.00 H new ATOM 200 N LEU A 14 -8.121 5.946 -4.463 1.00 1.00 N ATOM 201 CA LEU A 14 -8.961 4.937 -3.844 1.00 1.00 C ATOM 202 C LEU A 14 -9.357 3.785 -4.778 1.00 1.00 C ATOM 203 O LEU A 14 -9.164 2.632 -4.380 1.00 1.00 O ATOM 204 CB LEU A 14 -10.175 5.578 -3.128 1.00 1.00 C ATOM 205 CG LEU A 14 -11.018 4.611 -2.271 1.00 1.00 C ATOM 206 CD1 LEU A 14 -10.202 3.963 -1.141 1.00 1.00 C ATOM 207 CD2 LEU A 14 -12.232 5.345 -1.682 1.00 1.00 C ATOM 0 H LEU A 14 -8.551 6.869 -4.529 1.00 1.00 H new ATOM 0 HA LEU A 14 -8.344 4.460 -3.082 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -9.815 6.385 -2.489 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -10.822 6.031 -3.879 1.00 1.00 H new ATOM 0 HG LEU A 14 -11.354 3.811 -2.931 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -10.842 3.292 -0.568 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -9.374 3.398 -1.568 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.810 4.739 -0.484 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.819 4.652 -1.079 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -11.890 6.170 -1.057 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -12.849 5.735 -2.491 1.00 1.00 H new ATOM 219 N PRO A 15 -9.849 3.960 -6.011 1.00 1.00 N ATOM 220 CA PRO A 15 -10.075 2.831 -6.904 1.00 1.00 C ATOM 221 C PRO A 15 -8.817 2.055 -7.317 1.00 1.00 C ATOM 222 O PRO A 15 -9.004 0.846 -7.428 1.00 1.00 O ATOM 223 CB PRO A 15 -10.894 3.406 -8.074 1.00 1.00 C ATOM 224 CG PRO A 15 -10.688 4.928 -8.044 1.00 1.00 C ATOM 225 CD PRO A 15 -10.200 5.245 -6.627 1.00 1.00 C ATOM 0 HA PRO A 15 -10.621 2.039 -6.391 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -10.560 2.988 -9.024 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -11.950 3.155 -7.969 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -9.957 5.240 -8.790 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -11.616 5.454 -8.267 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -9.338 5.911 -6.653 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -10.976 5.751 -6.053 1.00 1.00 H new ATOM 233 N PRO A 16 -7.573 2.518 -7.534 1.00 1.00 N ATOM 234 CA PRO A 16 -6.442 1.614 -7.702 1.00 1.00 C ATOM 235 C PRO A 16 -6.091 0.886 -6.431 1.00 1.00 C ATOM 236 O PRO A 16 -5.717 -0.275 -6.462 1.00 1.00 O ATOM 237 CB PRO A 16 -5.269 2.484 -8.180 1.00 1.00 C ATOM 238 CG PRO A 16 -5.731 3.936 -8.043 1.00 1.00 C ATOM 239 CD PRO A 16 -7.256 3.858 -8.016 1.00 1.00 C ATOM 0 HA PRO A 16 -6.687 0.833 -8.422 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -4.378 2.301 -7.579 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -5.009 2.254 -9.213 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -5.342 4.391 -7.132 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.380 4.543 -8.878 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -7.676 4.620 -7.359 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.675 4.027 -9.008 1.00 1.00 H new ATOM 247 N CYS A 17 -6.203 1.531 -5.271 1.00 1.00 N ATOM 248 CA CYS A 17 -5.955 0.880 -4.003 1.00 1.00 C ATOM 249 C CYS A 17 -6.864 -0.301 -3.777 1.00 1.00 C ATOM 250 O CYS A 17 -6.449 -1.426 -3.508 1.00 1.00 O ATOM 251 CB CYS A 17 -6.033 1.841 -2.803 1.00 1.00 C ATOM 252 SG CYS A 17 -4.498 2.794 -2.687 1.00 1.00 S ATOM 0 H CYS A 17 -6.467 2.513 -5.192 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.929 0.518 -4.069 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -6.883 2.514 -2.918 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -6.194 1.278 -1.883 1.00 1.00 H new ATOM 257 N LYS A 18 -8.161 -0.079 -3.947 1.00 1.00 N ATOM 258 CA LYS A 18 -9.145 -1.139 -3.964 1.00 1.00 C ATOM 259 C LYS A 18 -9.160 -2.042 -5.191 1.00 1.00 C ATOM 260 O LYS A 18 -9.976 -2.956 -5.280 1.00 1.00 O ATOM 261 CB LYS A 18 -10.557 -0.588 -3.606 1.00 1.00 C ATOM 262 CG LYS A 18 -10.902 -0.736 -2.109 1.00 1.00 C ATOM 263 CD LYS A 18 -11.600 -2.057 -1.703 1.00 1.00 C ATOM 264 CE LYS A 18 -11.194 -3.285 -2.527 1.00 1.00 C ATOM 265 NZ LYS A 18 -11.683 -4.537 -1.938 1.00 1.00 N ATOM 0 H LYS A 18 -8.557 0.852 -4.078 1.00 1.00 H new ATOM 0 HA LYS A 18 -8.817 -1.824 -3.182 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -10.611 0.465 -3.883 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -11.306 -1.112 -4.199 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -9.981 -0.642 -1.533 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -11.545 0.096 -1.820 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -11.385 -2.256 -0.653 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -12.678 -1.922 -1.788 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -11.585 -3.186 -3.540 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -10.108 -3.323 -2.607 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -11.221 -5.344 -2.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -11.462 -4.552 -0.922 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -12.712 -4.604 -2.069 1.00 1.00 H new ATOM 279 N ALA A 19 -8.250 -1.847 -6.153 1.00 1.00 N ATOM 280 CA ALA A 19 -8.196 -2.662 -7.356 1.00 1.00 C ATOM 281 C ALA A 19 -7.714 -4.059 -7.056 1.00 1.00 C ATOM 282 O ALA A 19 -8.293 -5.075 -7.429 1.00 1.00 O ATOM 283 CB ALA A 19 -7.209 -2.054 -8.368 1.00 1.00 C ATOM 0 H ALA A 19 -7.536 -1.120 -6.113 1.00 1.00 H new ATOM 0 HA ALA A 19 -9.208 -2.694 -7.760 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -7.178 -2.674 -9.264 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -7.534 -1.048 -8.634 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -6.215 -2.009 -7.924 1.00 1.00 H new ATOM 289 N GLN A 20 -6.580 -4.090 -6.351 1.00 1.00 N ATOM 290 CA GLN A 20 -5.851 -5.277 -6.060 1.00 1.00 C ATOM 291 C GLN A 20 -5.087 -5.197 -4.763 1.00 1.00 C ATOM 292 O GLN A 20 -4.594 -6.209 -4.278 1.00 1.00 O ATOM 293 CB GLN A 20 -4.901 -5.663 -7.228 1.00 1.00 C ATOM 294 CG GLN A 20 -3.688 -4.713 -7.451 1.00 1.00 C ATOM 295 CD GLN A 20 -2.315 -5.287 -7.070 1.00 1.00 C ATOM 296 OE1 GLN A 20 -1.312 -5.012 -7.730 1.00 1.00 O ATOM 297 NE2 GLN A 20 -2.233 -6.088 -5.988 1.00 1.00 N ATOM 0 H GLN A 20 -6.150 -3.250 -5.965 1.00 1.00 H new ATOM 0 HA GLN A 20 -6.597 -6.063 -5.942 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -4.523 -6.669 -7.048 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -5.483 -5.702 -8.149 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -3.663 -4.426 -8.502 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -3.853 -3.802 -6.876 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -3.072 -6.307 -5.451 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -1.332 -6.475 -5.707 1.00 1.00 H new ATOM 306 N PHE A 21 -4.931 -4.006 -4.145 1.00 1.00 N ATOM 307 CA PHE A 21 -4.054 -3.876 -3.020 1.00 1.00 C ATOM 308 C PHE A 21 -4.707 -4.245 -1.702 1.00 1.00 C ATOM 309 O PHE A 21 -4.004 -4.592 -0.760 1.00 1.00 O ATOM 310 CB PHE A 21 -3.453 -2.455 -2.992 1.00 1.00 C ATOM 311 CG PHE A 21 -2.428 -2.283 -4.080 1.00 1.00 C ATOM 312 CD1 PHE A 21 -1.296 -3.116 -4.133 1.00 1.00 C ATOM 313 CD2 PHE A 21 -2.601 -1.312 -5.081 1.00 1.00 C ATOM 314 CE1 PHE A 21 -0.372 -2.999 -5.178 1.00 1.00 C ATOM 315 CE2 PHE A 21 -1.674 -1.184 -6.122 1.00 1.00 C ATOM 316 CZ PHE A 21 -0.560 -2.032 -6.171 1.00 1.00 C ATOM 0 H PHE A 21 -5.405 -3.146 -4.421 1.00 1.00 H new ATOM 0 HA PHE A 21 -3.248 -4.599 -3.146 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -4.247 -1.718 -3.115 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -2.993 -2.270 -2.021 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -1.138 -3.853 -3.360 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -3.459 -0.657 -5.047 1.00 1.00 H new ATOM 0 HE1 PHE A 21 0.485 -3.655 -5.217 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -1.817 -0.434 -6.885 1.00 1.00 H new ATOM 0 HZ PHE A 21 0.154 -1.939 -6.976 1.00 1.00 H new ATOM 326 N GLY A 22 -6.051 -4.247 -1.566 1.00 1.00 N ATOM 327 CA GLY A 22 -6.560 -4.973 -0.409 1.00 1.00 C ATOM 328 C GLY A 22 -8.043 -5.090 -0.214 1.00 1.00 C ATOM 329 O GLY A 22 -8.860 -4.880 -1.110 1.00 1.00 O ATOM 0 H GLY A 22 -6.734 -3.801 -2.178 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -6.154 -5.984 -0.451 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -6.148 -4.500 0.483 1.00 1.00 H new ATOM 333 N ILE A 23 -8.440 -5.509 0.995 1.00 1.00 N ATOM 334 CA ILE A 23 -9.809 -5.825 1.361 1.00 1.00 C ATOM 335 C ILE A 23 -10.670 -4.597 1.463 1.00 1.00 C ATOM 336 O ILE A 23 -11.635 -4.412 0.722 1.00 1.00 O ATOM 337 CB ILE A 23 -9.908 -6.700 2.594 1.00 1.00 C ATOM 338 CG1 ILE A 23 -9.077 -7.997 2.419 1.00 1.00 C ATOM 339 CG2 ILE A 23 -11.387 -7.011 2.935 1.00 1.00 C ATOM 340 CD1 ILE A 23 -8.985 -8.843 3.696 1.00 1.00 C ATOM 0 H ILE A 23 -7.785 -5.639 1.766 1.00 1.00 H new ATOM 0 HA ILE A 23 -10.207 -6.421 0.540 1.00 1.00 H new ATOM 0 HB ILE A 23 -9.487 -6.152 3.437 1.00 1.00 H new ATOM 0 HG12 ILE A 23 -9.520 -8.599 1.625 1.00 1.00 H new ATOM 0 HG13 ILE A 23 -8.070 -7.733 2.094 1.00 1.00 H new ATOM 0 HG21 ILE A 23 -11.431 -7.640 3.824 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -11.921 -6.079 3.123 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -11.852 -7.532 2.098 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -8.389 -9.734 3.500 1.00 1.00 H new ATOM 0 HD12 ILE A 23 -8.514 -8.259 4.486 1.00 1.00 H new ATOM 0 HD13 ILE A 23 -9.986 -9.138 4.010 1.00 1.00 H new ATOM 352 N ARG A 24 -10.304 -3.725 2.393 1.00 1.00 N ATOM 353 CA ARG A 24 -10.997 -2.507 2.729 1.00 1.00 C ATOM 354 C ARG A 24 -10.053 -1.348 2.433 1.00 1.00 C ATOM 355 O ARG A 24 -10.288 -0.200 2.791 1.00 1.00 O ATOM 356 CB ARG A 24 -11.418 -2.739 4.200 1.00 1.00 C ATOM 357 CG ARG A 24 -11.754 -1.549 5.124 1.00 1.00 C ATOM 358 CD ARG A 24 -10.606 -0.775 5.814 1.00 1.00 C ATOM 359 NE ARG A 24 -9.477 -1.709 6.098 1.00 1.00 N ATOM 360 CZ ARG A 24 -9.496 -2.719 6.968 1.00 1.00 C ATOM 361 NH1 ARG A 24 -10.023 -2.596 8.174 1.00 1.00 N ATOM 362 NH2 ARG A 24 -8.911 -3.860 6.629 1.00 1.00 N ATOM 0 H ARG A 24 -9.468 -3.865 2.960 1.00 1.00 H new ATOM 0 HA ARG A 24 -11.893 -2.253 2.163 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -12.293 -3.389 4.184 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -10.614 -3.299 4.678 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -12.326 -0.831 4.537 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -12.415 -1.920 5.907 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -10.266 0.039 5.174 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -10.962 -0.325 6.741 1.00 1.00 H new ATOM 0 HE ARG A 24 -8.612 -1.561 5.579 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -10.432 -1.708 8.464 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -10.021 -3.390 8.815 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -8.459 -3.951 5.719 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -8.913 -4.647 7.278 1.00 1.00 H new ATOM 376 N ALA A 25 -8.978 -1.684 1.693 1.00 1.00 N ATOM 377 CA ALA A 25 -7.810 -0.869 1.401 1.00 1.00 C ATOM 378 C ALA A 25 -8.023 0.571 1.016 1.00 1.00 C ATOM 379 O ALA A 25 -8.988 0.952 0.354 1.00 1.00 O ATOM 380 CB ALA A 25 -6.935 -1.540 0.329 1.00 1.00 C ATOM 0 H ALA A 25 -8.911 -2.604 1.257 1.00 1.00 H new ATOM 0 HA ALA A 25 -7.323 -0.816 2.375 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -6.066 -0.914 0.125 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -6.604 -2.515 0.687 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -7.514 -1.667 -0.586 1.00 1.00 H new ATOM 386 N GLY A 26 -7.076 1.428 1.441 1.00 1.00 N ATOM 387 CA GLY A 26 -7.303 2.851 1.494 1.00 1.00 C ATOM 388 C GLY A 26 -6.177 3.550 0.842 1.00 1.00 C ATOM 389 O GLY A 26 -5.154 2.963 0.509 1.00 1.00 O ATOM 0 H GLY A 26 -6.148 1.140 1.750 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -8.239 3.100 0.994 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -7.398 3.177 2.530 1.00 1.00 H new ATOM 393 N ALA A 27 -6.321 4.850 0.640 1.00 1.00 N ATOM 394 CA ALA A 27 -5.407 5.591 -0.147 1.00 1.00 C ATOM 395 C ALA A 27 -5.300 6.942 0.469 1.00 1.00 C ATOM 396 O ALA A 27 -6.294 7.544 0.868 1.00 1.00 O ATOM 397 CB ALA A 27 -5.983 5.736 -1.558 1.00 1.00 C ATOM 0 H ALA A 27 -7.085 5.403 1.028 1.00 1.00 H new ATOM 0 HA ALA A 27 -4.435 5.101 -0.196 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -5.290 6.305 -2.177 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -6.131 4.748 -1.994 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -6.939 6.258 -1.509 1.00 1.00 H new ATOM 403 N LYS A 28 -4.082 7.461 0.603 1.00 1.00 N ATOM 404 CA LYS A 28 -3.933 8.772 1.170 1.00 1.00 C ATOM 405 C LYS A 28 -2.793 9.447 0.455 1.00 1.00 C ATOM 406 O LYS A 28 -1.887 8.805 -0.056 1.00 1.00 O ATOM 407 CB LYS A 28 -3.895 8.659 2.718 1.00 1.00 C ATOM 408 CG LYS A 28 -3.123 9.698 3.540 1.00 1.00 C ATOM 409 CD LYS A 28 -1.624 9.365 3.584 1.00 1.00 C ATOM 410 CE LYS A 28 -0.881 9.894 4.815 1.00 1.00 C ATOM 411 NZ LYS A 28 -1.344 9.166 6.018 1.00 1.00 N ATOM 0 H LYS A 28 -3.214 6.999 0.331 1.00 1.00 H new ATOM 0 HA LYS A 28 -4.778 9.442 1.011 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -4.927 8.668 3.070 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.483 7.680 2.962 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.266 10.688 3.107 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -3.521 9.733 4.554 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.506 8.282 3.544 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.150 9.770 2.690 1.00 1.00 H new ATOM 0 HE2 LYS A 28 0.194 9.764 4.689 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -1.061 10.963 4.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -0.829 9.512 6.853 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -2.363 9.326 6.150 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -1.166 8.148 5.898 1.00 1.00 H new ATOM 425 N CYS A 29 -2.855 10.777 0.332 1.00 1.00 N ATOM 426 CA CYS A 29 -1.915 11.540 -0.453 1.00 1.00 C ATOM 427 C CYS A 29 -0.796 12.106 0.398 1.00 1.00 C ATOM 428 O CYS A 29 -1.031 12.584 1.506 1.00 1.00 O ATOM 429 CB CYS A 29 -2.645 12.695 -1.188 1.00 1.00 C ATOM 430 SG CYS A 29 -1.709 13.316 -2.615 1.00 1.00 S ATOM 0 H CYS A 29 -3.570 11.347 0.784 1.00 1.00 H new ATOM 0 HA CYS A 29 -1.473 10.861 -1.182 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -3.622 12.347 -1.523 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.820 13.513 -0.489 1.00 1.00 H new ATOM 435 N MET A 30 0.451 12.055 -0.074 1.00 1.00 N ATOM 436 CA MET A 30 1.553 12.774 0.516 1.00 1.00 C ATOM 437 C MET A 30 2.627 13.000 -0.522 1.00 1.00 C ATOM 438 O MET A 30 2.879 12.142 -1.370 1.00 1.00 O ATOM 439 CB MET A 30 2.117 11.999 1.723 1.00 1.00 C ATOM 440 CG MET A 30 3.163 12.740 2.578 1.00 1.00 C ATOM 441 SD MET A 30 4.887 12.398 2.107 1.00 1.00 S ATOM 442 CE MET A 30 5.082 10.913 3.131 1.00 1.00 C ATOM 0 H MET A 30 0.715 11.502 -0.889 1.00 1.00 H new ATOM 0 HA MET A 30 1.198 13.741 0.872 1.00 1.00 H new ATOM 0 HB2 MET A 30 1.285 11.717 2.368 1.00 1.00 H new ATOM 0 HB3 MET A 30 2.565 11.075 1.358 1.00 1.00 H new ATOM 0 HG2 MET A 30 2.983 13.813 2.503 1.00 1.00 H new ATOM 0 HG3 MET A 30 3.022 12.465 3.623 1.00 1.00 H new ATOM 0 HE1 MET A 30 6.088 10.514 3.005 1.00 1.00 H new ATOM 0 HE2 MET A 30 4.922 11.170 4.178 1.00 1.00 H new ATOM 0 HE3 MET A 30 4.353 10.162 2.826 1.00 1.00 H new ATOM 452 N ASN A 31 3.243 14.197 -0.515 1.00 1.00 N ATOM 453 CA ASN A 31 4.214 14.678 -1.497 1.00 1.00 C ATOM 454 C ASN A 31 3.577 14.731 -2.884 1.00 1.00 C ATOM 455 O ASN A 31 4.187 14.438 -3.909 1.00 1.00 O ATOM 456 CB ASN A 31 5.526 13.844 -1.447 1.00 1.00 C ATOM 457 CG ASN A 31 6.769 14.618 -1.879 1.00 1.00 C ATOM 458 OD1 ASN A 31 7.690 14.794 -1.084 1.00 1.00 O ATOM 459 ND2 ASN A 31 6.827 15.084 -3.141 1.00 1.00 N ATOM 0 H ASN A 31 3.063 14.885 0.216 1.00 1.00 H new ATOM 0 HA ASN A 31 4.506 15.698 -1.246 1.00 1.00 H new ATOM 0 HB2 ASN A 31 5.673 13.478 -0.431 1.00 1.00 H new ATOM 0 HB3 ASN A 31 5.414 12.970 -2.088 1.00 1.00 H new ATOM 0 HD21 ASN A 31 7.650 15.597 -3.458 1.00 1.00 H new ATOM 0 HD22 ASN A 31 6.048 14.924 -3.780 1.00 1.00 H new ATOM 466 N GLY A 32 2.268 15.050 -2.900 1.00 1.00 N ATOM 467 CA GLY A 32 1.429 15.034 -4.097 1.00 1.00 C ATOM 468 C GLY A 32 1.234 13.680 -4.737 1.00 1.00 C ATOM 469 O GLY A 32 0.831 13.589 -5.891 1.00 1.00 O ATOM 0 H GLY A 32 1.762 15.331 -2.060 1.00 1.00 H new ATOM 0 HA2 GLY A 32 0.450 15.439 -3.839 1.00 1.00 H new ATOM 0 HA3 GLY A 32 1.867 15.706 -4.835 1.00 1.00 H new ATOM 473 N LYS A 33 1.520 12.561 -4.038 1.00 1.00 N ATOM 474 CA LYS A 33 1.486 11.266 -4.658 1.00 1.00 C ATOM 475 C LYS A 33 0.983 10.271 -3.632 1.00 1.00 C ATOM 476 O LYS A 33 1.080 10.468 -2.419 1.00 1.00 O ATOM 477 CB LYS A 33 2.914 10.938 -5.177 1.00 1.00 C ATOM 478 CG LYS A 33 3.043 9.684 -6.055 1.00 1.00 C ATOM 479 CD LYS A 33 4.450 9.506 -6.666 1.00 1.00 C ATOM 480 CE LYS A 33 4.826 10.572 -7.709 1.00 1.00 C ATOM 481 NZ LYS A 33 6.043 10.172 -8.448 1.00 1.00 N ATOM 0 H LYS A 33 1.773 12.552 -3.050 1.00 1.00 H new ATOM 0 HA LYS A 33 0.812 11.228 -5.514 1.00 1.00 H new ATOM 0 HB2 LYS A 33 3.277 11.794 -5.746 1.00 1.00 H new ATOM 0 HB3 LYS A 33 3.574 10.824 -4.317 1.00 1.00 H new ATOM 0 HG2 LYS A 33 2.800 8.805 -5.458 1.00 1.00 H new ATOM 0 HG3 LYS A 33 2.309 9.736 -6.859 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.187 9.524 -5.863 1.00 1.00 H new ATOM 0 HD3 LYS A 33 4.510 8.522 -7.131 1.00 1.00 H new ATOM 0 HE2 LYS A 33 4.000 10.713 -8.407 1.00 1.00 H new ATOM 0 HE3 LYS A 33 4.992 11.529 -7.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.148 10.769 -9.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 6.875 10.289 -7.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 5.963 9.176 -8.736 1.00 1.00 H new ATOM 495 N CYS A 34 0.385 9.166 -4.075 1.00 1.00 N ATOM 496 CA CYS A 34 -0.323 8.262 -3.194 1.00 1.00 C ATOM 497 C CYS A 34 0.530 7.505 -2.193 1.00 1.00 C ATOM 498 O CYS A 34 1.746 7.362 -2.322 1.00 1.00 O ATOM 499 CB CYS A 34 -1.157 7.270 -4.024 1.00 1.00 C ATOM 500 SG CYS A 34 -2.412 6.310 -3.129 1.00 1.00 S ATOM 0 H CYS A 34 0.382 8.880 -5.054 1.00 1.00 H new ATOM 0 HA CYS A 34 -0.957 8.908 -2.586 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -1.656 7.826 -4.818 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -0.474 6.571 -4.506 1.00 1.00 H new ATOM 505 N LYS A 35 -0.117 7.041 -1.127 1.00 1.00 N ATOM 506 CA LYS A 35 0.373 6.289 -0.020 1.00 1.00 C ATOM 507 C LYS A 35 -0.792 5.375 0.266 1.00 1.00 C ATOM 508 O LYS A 35 -1.744 5.718 0.958 1.00 1.00 O ATOM 509 CB LYS A 35 0.749 7.163 1.204 1.00 1.00 C ATOM 510 CG LYS A 35 1.761 8.295 0.917 1.00 1.00 C ATOM 511 CD LYS A 35 3.165 7.805 0.508 1.00 1.00 C ATOM 512 CE LYS A 35 4.069 8.865 -0.137 1.00 1.00 C ATOM 513 NZ LYS A 35 3.506 9.313 -1.428 1.00 1.00 N ATOM 0 H LYS A 35 -1.117 7.215 -1.026 1.00 1.00 H new ATOM 0 HA LYS A 35 1.307 5.770 -0.236 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -0.162 7.605 1.608 1.00 1.00 H new ATOM 0 HB3 LYS A 35 1.161 6.517 1.979 1.00 1.00 H new ATOM 0 HG2 LYS A 35 1.365 8.928 0.123 1.00 1.00 H new ATOM 0 HG3 LYS A 35 1.852 8.919 1.806 1.00 1.00 H new ATOM 0 HD2 LYS A 35 3.667 7.413 1.393 1.00 1.00 H new ATOM 0 HD3 LYS A 35 3.053 6.974 -0.189 1.00 1.00 H new ATOM 0 HE2 LYS A 35 4.176 9.717 0.534 1.00 1.00 H new ATOM 0 HE3 LYS A 35 5.067 8.454 -0.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 4.216 9.190 -2.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 2.663 8.748 -1.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 3.242 10.317 -1.362 1.00 1.00 H new ATOM 527 N CYS A 36 -0.771 4.222 -0.390 1.00 1.00 N ATOM 528 CA CYS A 36 -1.808 3.208 -0.398 1.00 1.00 C ATOM 529 C CYS A 36 -1.685 2.246 0.769 1.00 1.00 C ATOM 530 O CYS A 36 -0.610 1.688 1.009 1.00 1.00 O ATOM 531 CB CYS A 36 -1.726 2.443 -1.728 1.00 1.00 C ATOM 532 SG CYS A 36 -3.154 1.401 -2.105 1.00 1.00 S ATOM 0 H CYS A 36 0.026 3.956 -0.968 1.00 1.00 H new ATOM 0 HA CYS A 36 -2.775 3.701 -0.294 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -1.599 3.163 -2.536 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -0.833 1.818 -1.715 1.00 1.00 H new ATOM 537 N TYR A 37 -2.772 2.013 1.524 1.00 1.00 N ATOM 538 CA TYR A 37 -2.784 1.225 2.730 1.00 1.00 C ATOM 539 C TYR A 37 -3.405 -0.103 2.374 1.00 1.00 C ATOM 540 O TYR A 37 -4.623 -0.149 2.191 1.00 1.00 O ATOM 541 CB TYR A 37 -3.663 1.908 3.807 1.00 1.00 C ATOM 542 CG TYR A 37 -2.953 3.122 4.373 1.00 1.00 C ATOM 543 CD1 TYR A 37 -2.880 4.336 3.673 1.00 1.00 C ATOM 544 CD2 TYR A 37 -2.296 3.013 5.610 1.00 1.00 C ATOM 545 CE1 TYR A 37 -2.127 5.404 4.185 1.00 1.00 C ATOM 546 CE2 TYR A 37 -1.566 4.090 6.134 1.00 1.00 C ATOM 547 CZ TYR A 37 -1.478 5.288 5.416 1.00 1.00 C ATOM 548 OH TYR A 37 -0.703 6.350 5.939 1.00 1.00 O ATOM 0 H TYR A 37 -3.690 2.389 1.288 1.00 1.00 H new ATOM 0 HA TYR A 37 -1.774 1.113 3.123 1.00 1.00 H new ATOM 0 HB2 TYR A 37 -4.617 2.206 3.372 1.00 1.00 H new ATOM 0 HB3 TYR A 37 -3.884 1.202 4.607 1.00 1.00 H new ATOM 0 HD1 TYR A 37 -3.406 4.449 2.736 1.00 1.00 H new ATOM 0 HD2 TYR A 37 -2.354 2.088 6.165 1.00 1.00 H new ATOM 0 HE1 TYR A 37 -2.049 6.323 3.623 1.00 1.00 H new ATOM 0 HE2 TYR A 37 -1.073 3.995 7.090 1.00 1.00 H new ATOM 0 HH TYR A 37 -0.329 6.086 6.806 1.00 1.00 H new ATOM 558 N PRO A 38 -2.663 -1.191 2.198 1.00 1.00 N ATOM 559 CA PRO A 38 -3.193 -2.398 1.585 1.00 1.00 C ATOM 560 C PRO A 38 -3.855 -3.305 2.604 1.00 1.00 C ATOM 561 O PRO A 38 -3.408 -4.426 2.836 1.00 1.00 O ATOM 562 CB PRO A 38 -1.910 -3.013 0.997 1.00 1.00 C ATOM 563 CG PRO A 38 -0.833 -2.702 2.044 1.00 1.00 C ATOM 564 CD PRO A 38 -1.255 -1.333 2.579 1.00 1.00 C ATOM 0 HA PRO A 38 -3.979 -2.225 0.850 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -2.017 -4.087 0.842 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -1.664 -2.574 0.030 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -0.809 -3.453 2.833 1.00 1.00 H new ATOM 0 HG3 PRO A 38 0.163 -2.673 1.602 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -1.132 -1.278 3.661 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -0.648 -0.537 2.148 1.00 1.00 H new