USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -53:sc= -5.56 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.27 USER MOD Single : A 23 ASN : amide:sc= -0.0562 X(o=-0.056,f=-0.0029) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00337 USER MOD Single : A 38 ASN : amide:sc= -2.87! C(o=-2.9!,f=-7.5!) USER MOD Single : A 40 ASN : amide:sc= -4.36 K(o=-4.4,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 7.350 11.109 3.663 1.00 0.00 N ATOM 23 CA ASP A 2 8.401 10.551 2.820 1.00 0.00 C ATOM 24 C ASP A 2 8.012 9.167 2.309 1.00 0.00 C ATOM 25 O ASP A 2 8.284 8.819 1.160 1.00 0.00 O ATOM 26 CB ASP A 2 9.717 10.470 3.595 1.00 0.00 C ATOM 27 CG ASP A 2 10.043 11.763 4.318 1.00 0.00 C ATOM 28 OD1 ASP A 2 9.977 12.834 3.678 1.00 0.00 O ATOM 29 OD2 ASP A 2 10.362 11.706 5.523 1.00 0.00 O ATOM 0 HA ASP A 2 8.533 11.211 1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.660 9.657 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.527 10.228 2.907 1.00 0.00 H new ATOM 34 N THR A 3 7.374 8.383 3.171 1.00 0.00 N ATOM 35 CA THR A 3 6.945 7.035 2.811 1.00 0.00 C ATOM 36 C THR A 3 6.031 7.057 1.587 1.00 0.00 C ATOM 37 O THR A 3 5.963 6.087 0.834 1.00 0.00 O ATOM 38 CB THR A 3 6.224 6.377 3.987 1.00 0.00 C ATOM 39 OG1 THR A 3 7.045 6.374 5.141 1.00 0.00 O ATOM 40 CG2 THR A 3 5.813 4.947 3.713 1.00 0.00 C ATOM 0 H THR A 3 7.142 8.658 4.126 1.00 0.00 H new ATOM 0 HA THR A 3 7.834 6.454 2.565 1.00 0.00 H new ATOM 0 HB THR A 3 5.325 6.973 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.565 5.950 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.307 4.540 4.588 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.138 4.920 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.698 4.349 3.495 1.00 0.00 H new ATOM 48 N CYS A 4 5.330 8.171 1.400 1.00 0.00 N ATOM 49 CA CYS A 4 4.419 8.321 0.270 1.00 0.00 C ATOM 50 C CYS A 4 5.181 8.447 -1.051 1.00 0.00 C ATOM 51 O CYS A 4 4.583 8.394 -2.126 1.00 0.00 O ATOM 52 CB CYS A 4 3.525 9.547 0.475 1.00 0.00 C ATOM 53 SG CYS A 4 1.740 9.180 0.446 1.00 0.00 S ATOM 0 H CYS A 4 5.375 8.983 2.016 1.00 0.00 H new ATOM 0 HA CYS A 4 3.801 7.425 0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.774 10.009 1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.747 10.279 -0.301 1.00 0.00 H new ATOM 58 N ARG A 5 6.498 8.620 -0.967 1.00 0.00 N ATOM 59 CA ARG A 5 7.327 8.759 -2.160 1.00 0.00 C ATOM 60 C ARG A 5 7.901 7.415 -2.604 1.00 0.00 C ATOM 61 O ARG A 5 8.272 7.244 -3.765 1.00 0.00 O ATOM 62 CB ARG A 5 8.463 9.750 -1.902 1.00 0.00 C ATOM 63 CG ARG A 5 7.984 11.163 -1.612 1.00 0.00 C ATOM 64 CD ARG A 5 9.047 11.979 -0.894 1.00 0.00 C ATOM 65 NE ARG A 5 8.489 12.751 0.214 1.00 0.00 N ATOM 66 CZ ARG A 5 9.091 13.805 0.762 1.00 0.00 C ATOM 67 NH1 ARG A 5 10.270 14.214 0.308 1.00 0.00 N ATOM 68 NH2 ARG A 5 8.513 14.451 1.764 1.00 0.00 N ATOM 0 H ARG A 5 7.012 8.667 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 5 6.692 9.136 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.058 9.397 -1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.121 9.770 -2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.716 11.656 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.081 11.124 -1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.823 11.312 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.525 12.655 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 5 7.585 12.466 0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.718 13.720 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.727 15.022 0.731 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.607 14.141 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.974 15.258 2.184 1.00 0.00 H new ATOM 82 N LEU A 6 7.976 6.464 -1.676 1.00 0.00 N ATOM 83 CA LEU A 6 8.511 5.140 -1.987 1.00 0.00 C ATOM 84 C LEU A 6 7.389 4.112 -2.128 1.00 0.00 C ATOM 85 O LEU A 6 6.408 4.148 -1.388 1.00 0.00 O ATOM 86 CB LEU A 6 9.499 4.691 -0.904 1.00 0.00 C ATOM 87 CG LEU A 6 9.196 5.193 0.511 1.00 0.00 C ATOM 88 CD1 LEU A 6 9.718 4.211 1.548 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.804 6.571 0.727 1.00 0.00 C ATOM 0 H LEU A 6 7.675 6.583 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 6 9.036 5.209 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.523 3.601 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.497 5.027 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 6 8.115 5.271 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.494 4.584 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.238 3.243 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.797 4.102 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.580 6.913 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.884 6.517 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.384 7.271 0.005 1.00 0.00 H new ATOM 101 N PRO A 7 7.521 3.179 -3.091 1.00 0.00 N ATOM 102 CA PRO A 7 6.517 2.143 -3.331 1.00 0.00 C ATOM 103 C PRO A 7 6.668 0.953 -2.388 1.00 0.00 C ATOM 104 O PRO A 7 7.728 0.745 -1.800 1.00 0.00 O ATOM 105 CB PRO A 7 6.808 1.724 -4.768 1.00 0.00 C ATOM 106 CG PRO A 7 8.280 1.908 -4.917 1.00 0.00 C ATOM 107 CD PRO A 7 8.658 3.066 -4.026 1.00 0.00 C ATOM 0 HA PRO A 7 5.502 2.503 -3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.517 0.689 -4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.257 2.338 -5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.816 1.004 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.542 2.115 -5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.592 2.876 -3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.797 3.983 -4.599 1.00 0.00 H new ATOM 115 N SER A 8 5.599 0.173 -2.251 1.00 0.00 N ATOM 116 CA SER A 8 5.612 -0.998 -1.381 1.00 0.00 C ATOM 117 C SER A 8 5.570 -2.287 -2.198 1.00 0.00 C ATOM 118 O SER A 8 5.034 -2.312 -3.306 1.00 0.00 O ATOM 119 CB SER A 8 4.429 -0.951 -0.412 1.00 0.00 C ATOM 120 OG SER A 8 4.866 -1.091 0.929 1.00 0.00 O ATOM 0 H SER A 8 4.713 0.331 -2.731 1.00 0.00 H new ATOM 0 HA SER A 8 6.540 -0.985 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.896 -0.007 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.724 -1.747 -0.654 1.00 0.00 H new ATOM 0 HG SER A 8 5.419 -1.896 1.010 1.00 0.00 H new ATOM 126 N ASP A 9 6.138 -3.354 -1.644 1.00 0.00 N ATOM 127 CA ASP A 9 6.164 -4.643 -2.325 1.00 0.00 C ATOM 128 C ASP A 9 5.025 -5.537 -1.844 1.00 0.00 C ATOM 129 O ASP A 9 4.658 -5.518 -0.670 1.00 0.00 O ATOM 130 CB ASP A 9 7.506 -5.340 -2.096 1.00 0.00 C ATOM 131 CG ASP A 9 7.816 -6.366 -3.169 1.00 0.00 C ATOM 132 OD1 ASP A 9 7.004 -7.298 -3.351 1.00 0.00 O ATOM 133 OD2 ASP A 9 8.870 -6.237 -3.825 1.00 0.00 O ATOM 0 H ASP A 9 6.585 -3.351 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 9 6.035 -4.463 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.300 -4.594 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.497 -5.829 -1.122 1.00 0.00 H new ATOM 138 N ARG A 10 4.464 -6.315 -2.761 1.00 0.00 N ATOM 139 CA ARG A 10 3.368 -7.216 -2.433 1.00 0.00 C ATOM 140 C ARG A 10 3.877 -8.593 -2.021 1.00 0.00 C ATOM 141 O ARG A 10 3.086 -9.478 -1.692 1.00 0.00 O ATOM 142 CB ARG A 10 2.427 -7.341 -3.628 1.00 0.00 C ATOM 143 CG ARG A 10 3.100 -7.901 -4.870 1.00 0.00 C ATOM 144 CD ARG A 10 2.301 -7.588 -6.122 1.00 0.00 C ATOM 145 NE ARG A 10 1.112 -8.426 -6.225 1.00 0.00 N ATOM 146 CZ ARG A 10 0.386 -8.549 -7.335 1.00 0.00 C ATOM 147 NH1 ARG A 10 0.722 -7.881 -8.432 1.00 0.00 N ATOM 148 NH2 ARG A 10 -0.678 -9.340 -7.351 1.00 0.00 N ATOM 0 H ARG A 10 4.751 -6.340 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 10 2.828 -6.795 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.590 -7.984 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.013 -6.360 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.102 -7.483 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.213 -8.980 -4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.007 -6.538 -6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.928 -7.736 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 10 0.819 -8.948 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.539 -7.270 -8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.163 -7.978 -9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.942 -9.856 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.232 -9.432 -8.202 1.00 0.00 H new ATOM 162 N GLY A 11 5.194 -8.775 -2.038 1.00 0.00 N ATOM 163 CA GLY A 11 5.766 -10.053 -1.659 1.00 0.00 C ATOM 164 C GLY A 11 5.100 -11.227 -2.352 1.00 0.00 C ATOM 165 O GLY A 11 4.076 -11.729 -1.888 1.00 0.00 O ATOM 0 H GLY A 11 5.873 -8.063 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.830 -10.054 -1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.680 -10.178 -0.580 1.00 0.00 H new ATOM 169 N ARG A 12 5.685 -11.673 -3.459 1.00 0.00 N ATOM 170 CA ARG A 12 5.141 -12.801 -4.207 1.00 0.00 C ATOM 171 C ARG A 12 5.080 -14.056 -3.336 1.00 0.00 C ATOM 172 O ARG A 12 4.378 -15.013 -3.663 1.00 0.00 O ATOM 173 CB ARG A 12 5.986 -13.067 -5.455 1.00 0.00 C ATOM 174 CG ARG A 12 5.170 -13.151 -6.735 1.00 0.00 C ATOM 175 CD ARG A 12 5.300 -11.885 -7.566 1.00 0.00 C ATOM 176 NE ARG A 12 5.401 -12.175 -8.995 1.00 0.00 N ATOM 177 CZ ARG A 12 5.361 -11.245 -9.945 1.00 0.00 C ATOM 178 NH1 ARG A 12 5.223 -9.963 -9.625 1.00 0.00 N ATOM 179 NH2 ARG A 12 5.459 -11.595 -11.220 1.00 0.00 N ATOM 0 H ARG A 12 6.534 -11.272 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 12 4.126 -12.547 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.727 -12.274 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.534 -14.000 -5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.501 -14.008 -7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.122 -13.319 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.437 -11.244 -7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.182 -11.330 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 12 5.509 -13.148 -9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.147 -9.687 -8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.193 -9.255 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.565 -12.578 -11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.428 -10.882 -11.948 1.00 0.00 H new ATOM 193 N CYS A 13 5.828 -14.042 -2.230 1.00 0.00 N ATOM 194 CA CYS A 13 5.878 -15.172 -1.297 1.00 0.00 C ATOM 195 C CYS A 13 4.519 -15.873 -1.172 1.00 0.00 C ATOM 196 O CYS A 13 4.249 -16.839 -1.885 1.00 0.00 O ATOM 197 CB CYS A 13 6.366 -14.707 0.085 1.00 0.00 C ATOM 198 SG CYS A 13 5.929 -12.984 0.511 1.00 0.00 S ATOM 0 H CYS A 13 6.413 -13.252 -1.956 1.00 0.00 H new ATOM 0 HA CYS A 13 6.586 -15.896 -1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.951 -15.371 0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.450 -14.813 0.127 1.00 0.00 H new ATOM 203 N LYS A 14 3.671 -15.390 -0.266 1.00 0.00 N ATOM 204 CA LYS A 14 2.354 -15.985 -0.062 1.00 0.00 C ATOM 205 C LYS A 14 1.247 -15.055 -0.553 1.00 0.00 C ATOM 206 O LYS A 14 0.227 -14.884 0.115 1.00 0.00 O ATOM 207 CB LYS A 14 2.145 -16.310 1.419 1.00 0.00 C ATOM 208 CG LYS A 14 2.767 -17.630 1.846 1.00 0.00 C ATOM 209 CD LYS A 14 4.240 -17.468 2.181 1.00 0.00 C ATOM 210 CE LYS A 14 5.047 -18.684 1.752 1.00 0.00 C ATOM 211 NZ LYS A 14 6.369 -18.302 1.182 1.00 0.00 N ATOM 0 H LYS A 14 3.872 -14.591 0.336 1.00 0.00 H new ATOM 0 HA LYS A 14 2.307 -16.907 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.568 -15.507 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.076 -16.337 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.236 -18.020 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.653 -18.363 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.631 -16.578 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.355 -17.314 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.197 -19.340 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.483 -19.251 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.887 -19.159 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.226 -17.697 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.918 -17.783 1.897 1.00 0.00 H new ATOM 225 N ALA A 15 1.452 -14.459 -1.725 1.00 0.00 N ATOM 226 CA ALA A 15 0.468 -13.547 -2.305 1.00 0.00 C ATOM 227 C ALA A 15 -0.937 -14.142 -2.258 1.00 0.00 C ATOM 228 O ALA A 15 -1.283 -15.005 -3.065 1.00 0.00 O ATOM 229 CB ALA A 15 0.850 -13.206 -3.737 1.00 0.00 C ATOM 0 H ALA A 15 2.290 -14.591 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 15 0.463 -12.634 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.110 -12.526 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.830 -12.728 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.885 -14.119 -4.332 1.00 0.00 H new ATOM 235 N SER A 16 -1.739 -13.680 -1.303 1.00 0.00 N ATOM 236 CA SER A 16 -3.104 -14.176 -1.150 1.00 0.00 C ATOM 237 C SER A 16 -4.065 -13.099 -0.636 1.00 0.00 C ATOM 238 O SER A 16 -5.271 -13.177 -0.876 1.00 0.00 O ATOM 239 CB SER A 16 -3.122 -15.375 -0.201 1.00 0.00 C ATOM 240 OG SER A 16 -4.183 -16.260 -0.516 1.00 0.00 O ATOM 0 H SER A 16 -1.469 -12.966 -0.626 1.00 0.00 H new ATOM 0 HA SER A 16 -3.448 -14.477 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.172 -15.905 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.227 -15.028 0.827 1.00 0.00 H new ATOM 0 HG SER A 16 -4.171 -17.019 0.104 1.00 0.00 H new ATOM 246 N PHE A 17 -3.542 -12.102 0.074 1.00 0.00 N ATOM 247 CA PHE A 17 -4.378 -11.034 0.616 1.00 0.00 C ATOM 248 C PHE A 17 -4.176 -9.734 -0.151 1.00 0.00 C ATOM 249 O PHE A 17 -3.070 -9.197 -0.200 1.00 0.00 O ATOM 250 CB PHE A 17 -4.063 -10.816 2.096 1.00 0.00 C ATOM 251 CG PHE A 17 -4.245 -12.046 2.939 1.00 0.00 C ATOM 252 CD1 PHE A 17 -5.506 -12.426 3.369 1.00 0.00 C ATOM 253 CD2 PHE A 17 -3.155 -12.822 3.300 1.00 0.00 C ATOM 254 CE1 PHE A 17 -5.677 -13.558 4.145 1.00 0.00 C ATOM 255 CE2 PHE A 17 -3.319 -13.953 4.075 1.00 0.00 C ATOM 256 CZ PHE A 17 -4.581 -14.322 4.498 1.00 0.00 C ATOM 0 H PHE A 17 -2.549 -12.011 0.287 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.420 -11.337 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.034 -10.469 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.704 -10.023 2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.365 -11.832 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.166 -12.539 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.665 -13.844 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.461 -14.549 4.350 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.711 -15.207 5.104 1.00 0.00 H new ATOM 266 N GLU A 18 -5.250 -9.228 -0.746 1.00 0.00 N ATOM 267 CA GLU A 18 -5.186 -7.987 -1.509 1.00 0.00 C ATOM 268 C GLU A 18 -5.000 -6.788 -0.584 1.00 0.00 C ATOM 269 O GLU A 18 -5.719 -6.634 0.402 1.00 0.00 O ATOM 270 CB GLU A 18 -6.454 -7.811 -2.345 1.00 0.00 C ATOM 271 CG GLU A 18 -6.427 -8.574 -3.659 1.00 0.00 C ATOM 272 CD GLU A 18 -7.377 -7.995 -4.689 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.505 -7.616 -4.310 1.00 0.00 O ATOM 274 OE2 GLU A 18 -6.993 -7.922 -5.876 1.00 0.00 O ATOM 0 H GLU A 18 -6.175 -9.657 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.326 -8.044 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.313 -8.141 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.598 -6.751 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.413 -8.565 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.688 -9.616 -3.475 1.00 0.00 H new ATOM 281 N ARG A 19 -4.026 -5.943 -0.909 1.00 0.00 N ATOM 282 CA ARG A 19 -3.743 -4.758 -0.107 1.00 0.00 C ATOM 283 C ARG A 19 -3.584 -3.523 -0.991 1.00 0.00 C ATOM 284 O ARG A 19 -3.614 -3.619 -2.217 1.00 0.00 O ATOM 285 CB ARG A 19 -2.481 -4.977 0.729 1.00 0.00 C ATOM 286 CG ARG A 19 -2.587 -6.154 1.686 1.00 0.00 C ATOM 287 CD ARG A 19 -3.668 -5.926 2.732 1.00 0.00 C ATOM 288 NE ARG A 19 -4.582 -7.062 2.837 1.00 0.00 N ATOM 289 CZ ARG A 19 -5.351 -7.299 3.898 1.00 0.00 C ATOM 290 NH1 ARG A 19 -5.307 -6.492 4.951 1.00 0.00 N ATOM 291 NH2 ARG A 19 -6.166 -8.345 3.907 1.00 0.00 N ATOM 0 H ARG A 19 -3.420 -6.057 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.587 -4.589 0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.635 -5.137 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.270 -4.072 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.808 -7.062 1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.628 -6.310 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.202 -5.746 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.233 -5.029 2.479 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.634 -7.711 2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.682 -5.686 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.898 -6.678 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.204 -8.969 3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.755 -8.526 4.720 1.00 0.00 H new ATOM 305 N TRP A 20 -3.422 -2.363 -0.360 1.00 0.00 N ATOM 306 CA TRP A 20 -3.268 -1.110 -1.093 1.00 0.00 C ATOM 307 C TRP A 20 -1.924 -0.452 -0.797 1.00 0.00 C ATOM 308 O TRP A 20 -1.251 -0.795 0.171 1.00 0.00 O ATOM 309 CB TRP A 20 -4.399 -0.147 -0.736 1.00 0.00 C ATOM 310 CG TRP A 20 -5.742 -0.618 -1.197 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.553 -1.520 -0.574 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.429 -0.214 -2.385 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.704 -1.699 -1.298 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.651 -0.909 -2.415 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.130 0.670 -3.426 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.573 -0.748 -3.444 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.046 0.829 -4.448 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.256 0.123 -4.450 1.00 0.00 C ATOM 0 H TRP A 20 -3.394 -2.265 0.655 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.308 -1.343 -2.157 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.421 -0.008 0.345 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.191 0.827 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.322 -2.021 0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.474 -2.319 -1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.200 1.219 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.506 -1.292 -3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.826 1.508 -5.258 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -8.953 0.269 -5.262 1.00 0.00 H new ATOM 329 N TYR A 21 -1.543 0.494 -1.650 1.00 0.00 N ATOM 330 CA TYR A 21 -0.278 1.212 -1.499 1.00 0.00 C ATOM 331 C TYR A 21 -0.388 2.602 -2.114 1.00 0.00 C ATOM 332 O TYR A 21 -1.353 2.902 -2.816 1.00 0.00 O ATOM 333 CB TYR A 21 0.856 0.435 -2.175 1.00 0.00 C ATOM 334 CG TYR A 21 0.397 -0.288 -3.413 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.376 -1.431 -3.311 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.698 0.191 -4.679 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.844 -2.076 -4.431 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.242 -0.456 -5.809 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.534 -1.587 -5.680 1.00 0.00 C ATOM 340 OH TYR A 21 -1.025 -2.217 -6.803 1.00 0.00 O ATOM 0 H TYR A 21 -2.094 0.784 -2.458 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.057 1.309 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.659 1.124 -2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.270 -0.285 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.616 -1.823 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.298 1.083 -4.782 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.452 -2.963 -4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.492 -0.078 -6.789 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.714 -1.746 -7.604 1.00 0.00 H new ATOM 350 N PHE A 22 0.600 3.449 -1.851 1.00 0.00 N ATOM 351 CA PHE A 22 0.594 4.804 -2.391 1.00 0.00 C ATOM 352 C PHE A 22 1.491 4.907 -3.621 1.00 0.00 C ATOM 353 O PHE A 22 2.701 5.097 -3.506 1.00 0.00 O ATOM 354 CB PHE A 22 1.044 5.806 -1.327 1.00 0.00 C ATOM 355 CG PHE A 22 0.160 7.015 -1.239 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.268 8.036 -2.167 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.780 7.128 -0.229 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.546 9.150 -2.091 1.00 0.00 C ATOM 359 CE2 PHE A 22 -1.597 8.238 -0.146 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.479 9.251 -1.078 1.00 0.00 C ATOM 0 H PHE A 22 1.409 3.225 -1.272 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.427 5.042 -2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.067 5.310 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.063 6.125 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.997 7.961 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.875 6.339 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.453 9.940 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.327 8.314 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.116 10.121 -1.014 1.00 0.00 H new ATOM 370 N ASN A 23 0.885 4.787 -4.798 1.00 0.00 N ATOM 371 CA ASN A 23 1.625 4.870 -6.051 1.00 0.00 C ATOM 372 C ASN A 23 1.812 6.326 -6.471 1.00 0.00 C ATOM 373 O ASN A 23 1.305 6.754 -7.508 1.00 0.00 O ATOM 374 CB ASN A 23 0.900 4.094 -7.152 1.00 0.00 C ATOM 375 CG ASN A 23 1.787 3.828 -8.352 1.00 0.00 C ATOM 376 OD1 ASN A 23 2.526 2.844 -8.387 1.00 0.00 O ATOM 377 ND2 ASN A 23 1.718 4.707 -9.346 1.00 0.00 N ATOM 0 H ASN A 23 -0.117 4.632 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 23 2.608 4.425 -5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.544 3.146 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.022 4.655 -7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.292 4.580 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.091 5.509 -9.275 1.00 0.00 H new ATOM 384 N GLY A 24 2.541 7.080 -5.656 1.00 0.00 N ATOM 385 CA GLY A 24 2.782 8.478 -5.957 1.00 0.00 C ATOM 386 C GLY A 24 1.615 9.366 -5.573 1.00 0.00 C ATOM 387 O GLY A 24 1.618 9.980 -4.507 1.00 0.00 O ATOM 0 H GLY A 24 2.969 6.748 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.676 8.811 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.982 8.587 -7.023 1.00 0.00 H new ATOM 391 N ARG A 25 0.615 9.436 -6.446 1.00 0.00 N ATOM 392 CA ARG A 25 -0.563 10.262 -6.194 1.00 0.00 C ATOM 393 C ARG A 25 -1.822 9.407 -6.072 1.00 0.00 C ATOM 394 O ARG A 25 -2.758 9.768 -5.359 1.00 0.00 O ATOM 395 CB ARG A 25 -0.739 11.289 -7.314 1.00 0.00 C ATOM 396 CG ARG A 25 -0.532 10.715 -8.707 1.00 0.00 C ATOM 397 CD ARG A 25 0.823 11.103 -9.278 1.00 0.00 C ATOM 398 NE ARG A 25 1.529 9.955 -9.841 1.00 0.00 N ATOM 399 CZ ARG A 25 1.265 9.437 -11.039 1.00 0.00 C ATOM 400 NH1 ARG A 25 0.312 9.961 -11.801 1.00 0.00 N ATOM 401 NH2 ARG A 25 1.956 8.394 -11.477 1.00 0.00 N ATOM 0 H ARG A 25 0.596 8.932 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.410 10.783 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.741 11.714 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.035 12.107 -7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.614 9.629 -8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.322 11.071 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.687 11.860 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.431 11.554 -8.494 1.00 0.00 H new ATOM 0 HE ARG A 25 2.267 9.525 -9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.222 10.764 -11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.114 9.560 -12.718 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.690 7.988 -10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.754 7.997 -12.395 1.00 0.00 H new ATOM 415 N THR A 26 -1.842 8.279 -6.775 1.00 0.00 N ATOM 416 CA THR A 26 -2.993 7.383 -6.742 1.00 0.00 C ATOM 417 C THR A 26 -2.695 6.133 -5.919 1.00 0.00 C ATOM 418 O THR A 26 -1.572 5.631 -5.918 1.00 0.00 O ATOM 419 CB THR A 26 -3.397 6.985 -8.163 1.00 0.00 C ATOM 420 OG1 THR A 26 -3.042 7.999 -9.087 1.00 0.00 O ATOM 421 CG2 THR A 26 -4.880 6.727 -8.313 1.00 0.00 C ATOM 0 H THR A 26 -1.077 7.964 -7.372 1.00 0.00 H new ATOM 0 HA THR A 26 -3.818 7.916 -6.270 1.00 0.00 H new ATOM 0 HB THR A 26 -2.861 6.058 -8.367 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.307 7.726 -9.990 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.099 6.449 -9.344 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.177 5.916 -7.648 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.434 7.629 -8.055 1.00 0.00 H new ATOM 429 N CYS A 27 -3.712 5.635 -5.221 1.00 0.00 N ATOM 430 CA CYS A 27 -3.562 4.445 -4.395 1.00 0.00 C ATOM 431 C CYS A 27 -3.896 3.184 -5.189 1.00 0.00 C ATOM 432 O CYS A 27 -5.058 2.918 -5.497 1.00 0.00 O ATOM 433 CB CYS A 27 -4.459 4.537 -3.157 1.00 0.00 C ATOM 434 SG CYS A 27 -3.753 5.528 -1.800 1.00 0.00 S ATOM 0 H CYS A 27 -4.649 6.039 -5.212 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.522 4.386 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.417 4.968 -3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.660 3.530 -2.791 1.00 0.00 H new ATOM 439 N ALA A 28 -2.863 2.414 -5.515 1.00 0.00 N ATOM 440 CA ALA A 28 -3.028 1.177 -6.271 1.00 0.00 C ATOM 441 C ALA A 28 -3.250 -0.009 -5.332 1.00 0.00 C ATOM 442 O ALA A 28 -3.242 0.150 -4.111 1.00 0.00 O ATOM 443 CB ALA A 28 -1.840 0.947 -7.188 1.00 0.00 C ATOM 0 H ALA A 28 -1.897 2.626 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.916 1.271 -6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.983 0.020 -7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.754 1.779 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.929 0.877 -6.593 1.00 0.00 H new ATOM 449 N LYS A 29 -3.476 -1.190 -5.901 1.00 0.00 N ATOM 450 CA LYS A 29 -3.732 -2.385 -5.102 1.00 0.00 C ATOM 451 C LYS A 29 -3.118 -3.633 -5.732 1.00 0.00 C ATOM 452 O LYS A 29 -2.968 -3.725 -6.950 1.00 0.00 O ATOM 453 CB LYS A 29 -5.238 -2.586 -4.928 1.00 0.00 C ATOM 454 CG LYS A 29 -5.968 -2.859 -6.233 1.00 0.00 C ATOM 455 CD LYS A 29 -7.422 -3.232 -5.992 1.00 0.00 C ATOM 456 CE LYS A 29 -8.030 -3.912 -7.207 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.478 -4.200 -7.014 1.00 0.00 N ATOM 0 H LYS A 29 -3.487 -1.345 -6.909 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.264 -2.235 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.409 -3.418 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.664 -1.697 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.919 -1.976 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.468 -3.666 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.491 -3.895 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.994 -2.336 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.900 -3.276 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.498 -4.842 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.856 -4.664 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.601 -4.828 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.990 -3.310 -6.849 1.00 0.00 H new ATOM 471 N PHE A 30 -2.764 -4.590 -4.878 1.00 0.00 N ATOM 472 CA PHE A 30 -2.162 -5.842 -5.317 1.00 0.00 C ATOM 473 C PHE A 30 -2.323 -6.915 -4.243 1.00 0.00 C ATOM 474 O PHE A 30 -2.833 -6.641 -3.157 1.00 0.00 O ATOM 475 CB PHE A 30 -0.677 -5.646 -5.656 1.00 0.00 C ATOM 476 CG PHE A 30 0.129 -4.901 -4.617 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.278 -4.834 -3.290 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.312 -4.269 -4.976 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.474 -4.155 -2.351 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.067 -3.590 -4.039 1.00 0.00 C ATOM 481 CZ PHE A 30 1.649 -3.534 -2.726 1.00 0.00 C ATOM 0 H PHE A 30 -2.886 -4.519 -3.868 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.678 -6.169 -6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.224 -6.625 -5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.605 -5.109 -6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.195 -5.319 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.647 -4.309 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.143 -4.110 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.985 -3.103 -4.335 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.240 -3.005 -1.992 1.00 0.00 H new ATOM 491 N ILE A 31 -1.890 -8.132 -4.543 1.00 0.00 N ATOM 492 CA ILE A 31 -1.993 -9.220 -3.583 1.00 0.00 C ATOM 493 C ILE A 31 -0.746 -9.275 -2.712 1.00 0.00 C ATOM 494 O ILE A 31 0.333 -9.643 -3.175 1.00 0.00 O ATOM 495 CB ILE A 31 -2.197 -10.576 -4.280 1.00 0.00 C ATOM 496 CG1 ILE A 31 -3.444 -10.533 -5.164 1.00 0.00 C ATOM 497 CG2 ILE A 31 -2.307 -11.695 -3.255 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.195 -11.010 -6.574 1.00 0.00 C ATOM 0 H ILE A 31 -1.468 -8.388 -5.435 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.866 -9.024 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.330 -10.776 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.222 -11.148 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.823 -9.512 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.451 -12.646 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.393 -11.737 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.156 -11.505 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.121 -10.953 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.439 -10.380 -7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.845 -12.042 -6.552 1.00 0.00 H new ATOM 510 N TYR A 32 -0.905 -8.890 -1.453 1.00 0.00 N ATOM 511 CA TYR A 32 0.201 -8.868 -0.507 1.00 0.00 C ATOM 512 C TYR A 32 0.342 -10.209 0.203 1.00 0.00 C ATOM 513 O TYR A 32 -0.474 -10.566 1.053 1.00 0.00 O ATOM 514 CB TYR A 32 -0.023 -7.752 0.517 1.00 0.00 C ATOM 515 CG TYR A 32 1.022 -7.688 1.608 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.321 -7.279 1.331 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.707 -8.029 2.916 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.275 -7.214 2.328 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.656 -7.964 3.919 1.00 0.00 C ATOM 520 CZ TYR A 32 2.939 -7.557 3.619 1.00 0.00 C ATOM 521 OH TYR A 32 3.886 -7.492 4.615 1.00 0.00 O ATOM 0 H TYR A 32 -1.797 -8.587 -1.062 1.00 0.00 H new ATOM 0 HA TYR A 32 1.123 -8.680 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.045 -6.795 -0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.002 -7.887 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.589 -7.008 0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.296 -8.350 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.281 -6.895 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.394 -8.231 4.932 1.00 0.00 H new ATOM 0 HH TYR A 32 3.485 -7.766 5.466 1.00 0.00 H new ATOM 531 N GLY A 33 1.388 -10.944 -0.155 1.00 0.00 N ATOM 532 CA GLY A 33 1.631 -12.236 0.454 1.00 0.00 C ATOM 533 C GLY A 33 2.231 -12.112 1.841 1.00 0.00 C ATOM 534 O GLY A 33 2.067 -13.000 2.677 1.00 0.00 O ATOM 0 H GLY A 33 2.073 -10.667 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.694 -12.790 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.303 -12.814 -0.180 1.00 0.00 H new ATOM 538 N GLY A 34 2.923 -11.002 2.088 1.00 0.00 N ATOM 539 CA GLY A 34 3.530 -10.786 3.387 1.00 0.00 C ATOM 540 C GLY A 34 4.946 -10.241 3.307 1.00 0.00 C ATOM 541 O GLY A 34 5.548 -9.927 4.334 1.00 0.00 O ATOM 0 H GLY A 34 3.073 -10.252 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.913 -10.092 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.541 -11.728 3.936 1.00 0.00 H new ATOM 545 N CYS A 35 5.487 -10.123 2.095 1.00 0.00 N ATOM 546 CA CYS A 35 6.841 -9.606 1.922 1.00 0.00 C ATOM 547 C CYS A 35 6.819 -8.233 1.259 1.00 0.00 C ATOM 548 O CYS A 35 7.017 -8.113 0.050 1.00 0.00 O ATOM 549 CB CYS A 35 7.693 -10.581 1.100 1.00 0.00 C ATOM 550 SG CYS A 35 7.516 -12.327 1.594 1.00 0.00 S ATOM 0 H CYS A 35 5.013 -10.376 1.228 1.00 0.00 H new ATOM 0 HA CYS A 35 7.289 -9.502 2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.424 -10.484 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.741 -10.294 1.189 1.00 0.00 H new ATOM 555 N GLY A 36 6.573 -7.200 2.058 1.00 0.00 N ATOM 556 CA GLY A 36 6.525 -5.850 1.527 1.00 0.00 C ATOM 557 C GLY A 36 7.819 -5.096 1.739 1.00 0.00 C ATOM 558 O GLY A 36 8.393 -4.558 0.791 1.00 0.00 O ATOM 0 H GLY A 36 6.406 -7.273 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.303 -5.891 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.709 -5.305 2.002 1.00 0.00 H new ATOM 562 N GLY A 37 8.282 -5.055 2.983 1.00 0.00 N ATOM 563 CA GLY A 37 9.515 -4.362 3.291 1.00 0.00 C ATOM 564 C GLY A 37 9.436 -2.879 2.993 1.00 0.00 C ATOM 565 O GLY A 37 10.366 -2.304 2.426 1.00 0.00 O ATOM 0 H GLY A 37 7.824 -5.490 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.755 -4.505 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.329 -4.802 2.715 1.00 0.00 H new ATOM 569 N ASN A 38 8.325 -2.256 3.372 1.00 0.00 N ATOM 570 CA ASN A 38 8.140 -0.830 3.135 1.00 0.00 C ATOM 571 C ASN A 38 6.915 -0.297 3.873 1.00 0.00 C ATOM 572 O ASN A 38 5.968 -1.034 4.149 1.00 0.00 O ATOM 573 CB ASN A 38 8.007 -0.555 1.638 1.00 0.00 C ATOM 574 CG ASN A 38 8.559 0.801 1.247 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.807 1.723 0.933 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.881 0.929 1.264 1.00 0.00 N ATOM 0 H ASN A 38 7.544 -2.713 3.842 1.00 0.00 H new ATOM 0 HA ASN A 38 9.019 -0.312 3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.531 -1.332 1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.956 -0.612 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.311 1.819 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.467 0.138 1.531 1.00 0.00 H new ATOM 583 N GLY A 39 6.949 0.994 4.182 1.00 0.00 N ATOM 584 CA GLY A 39 5.849 1.637 4.880 1.00 0.00 C ATOM 585 C GLY A 39 4.773 2.151 3.937 1.00 0.00 C ATOM 586 O GLY A 39 3.797 2.760 4.375 1.00 0.00 O ATOM 0 H GLY A 39 7.728 1.614 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.405 0.929 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.235 2.468 5.470 1.00 0.00 H new ATOM 590 N ASN A 40 4.963 1.923 2.642 1.00 0.00 N ATOM 591 CA ASN A 40 4.017 2.385 1.630 1.00 0.00 C ATOM 592 C ASN A 40 2.917 1.349 1.375 1.00 0.00 C ATOM 593 O ASN A 40 2.027 1.571 0.552 1.00 0.00 O ATOM 594 CB ASN A 40 4.775 2.686 0.333 1.00 0.00 C ATOM 595 CG ASN A 40 3.864 3.070 -0.817 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.260 2.213 -1.459 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.767 4.366 -1.086 1.00 0.00 N ATOM 0 H ASN A 40 5.766 1.419 2.266 1.00 0.00 H new ATOM 0 HA ASN A 40 3.533 3.291 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.483 3.495 0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.358 1.810 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.173 4.685 -1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.286 5.043 -0.527 1.00 0.00 H new ATOM 604 N LYS A 41 2.975 0.224 2.086 1.00 0.00 N ATOM 605 CA LYS A 41 1.974 -0.828 1.932 1.00 0.00 C ATOM 606 C LYS A 41 0.867 -0.686 2.974 1.00 0.00 C ATOM 607 O LYS A 41 1.111 -0.806 4.174 1.00 0.00 O ATOM 608 CB LYS A 41 2.621 -2.210 2.050 1.00 0.00 C ATOM 609 CG LYS A 41 3.608 -2.326 3.203 1.00 0.00 C ATOM 610 CD LYS A 41 3.429 -3.631 3.961 1.00 0.00 C ATOM 611 CE LYS A 41 4.721 -4.070 4.632 1.00 0.00 C ATOM 612 NZ LYS A 41 4.717 -3.778 6.093 1.00 0.00 N ATOM 0 H LYS A 41 3.702 0.019 2.772 1.00 0.00 H new ATOM 0 HA LYS A 41 1.534 -0.725 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.839 -2.958 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.136 -2.441 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.626 -2.264 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.473 -1.487 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.650 -3.511 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.092 -4.408 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.866 -5.139 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.564 -3.563 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.615 -4.093 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.605 -2.755 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.928 -4.282 6.546 1.00 0.00 H new ATOM 626 N PHE A 42 -0.351 -0.434 2.505 1.00 0.00 N ATOM 627 CA PHE A 42 -1.499 -0.280 3.392 1.00 0.00 C ATOM 628 C PHE A 42 -2.512 -1.401 3.164 1.00 0.00 C ATOM 629 O PHE A 42 -2.557 -2.000 2.090 1.00 0.00 O ATOM 630 CB PHE A 42 -2.163 1.080 3.169 1.00 0.00 C ATOM 631 CG PHE A 42 -1.207 2.235 3.269 1.00 0.00 C ATOM 632 CD1 PHE A 42 -0.818 2.724 4.506 1.00 0.00 C ATOM 633 CD2 PHE A 42 -0.696 2.829 2.127 1.00 0.00 C ATOM 634 CE1 PHE A 42 0.061 3.785 4.602 1.00 0.00 C ATOM 635 CE2 PHE A 42 0.184 3.892 2.216 1.00 0.00 C ATOM 636 CZ PHE A 42 0.563 4.370 3.455 1.00 0.00 C ATOM 0 H PHE A 42 -0.569 -0.332 1.514 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.145 -0.337 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.632 1.090 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.959 1.212 3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.207 2.270 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.988 2.458 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.356 4.157 5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.574 4.348 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.251 5.200 3.527 1.00 0.00 H new ATOM 646 N PRO A 43 -3.339 -1.707 4.181 1.00 0.00 N ATOM 647 CA PRO A 43 -4.349 -2.768 4.092 1.00 0.00 C ATOM 648 C PRO A 43 -5.485 -2.423 3.133 1.00 0.00 C ATOM 649 O PRO A 43 -5.764 -3.167 2.192 1.00 0.00 O ATOM 650 CB PRO A 43 -4.887 -2.890 5.527 1.00 0.00 C ATOM 651 CG PRO A 43 -3.935 -2.119 6.381 1.00 0.00 C ATOM 652 CD PRO A 43 -3.351 -1.057 5.498 1.00 0.00 C ATOM 0 HA PRO A 43 -3.918 -3.691 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.897 -2.486 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.937 -3.933 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.448 -1.677 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.155 -2.768 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.957 -0.151 5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.349 -0.770 5.818 1.00 0.00 H new ATOM 660 N THR A 44 -6.144 -1.297 3.384 1.00 0.00 N ATOM 661 CA THR A 44 -7.259 -0.859 2.550 1.00 0.00 C ATOM 662 C THR A 44 -6.948 0.472 1.874 1.00 0.00 C ATOM 663 O THR A 44 -5.959 1.130 2.199 1.00 0.00 O ATOM 664 CB THR A 44 -8.529 -0.729 3.392 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.239 -0.155 4.654 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.222 -2.052 3.638 1.00 0.00 C ATOM 0 H THR A 44 -5.926 -0.670 4.159 1.00 0.00 H new ATOM 0 HA THR A 44 -7.416 -1.610 1.775 1.00 0.00 H new ATOM 0 HB THR A 44 -9.195 -0.090 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.065 -0.079 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.115 -1.888 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.505 -2.497 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.546 -2.724 4.166 1.00 0.00 H new ATOM 674 N GLN A 45 -7.802 0.864 0.933 1.00 0.00 N ATOM 675 CA GLN A 45 -7.621 2.119 0.214 1.00 0.00 C ATOM 676 C GLN A 45 -7.844 3.312 1.139 1.00 0.00 C ATOM 677 O GLN A 45 -7.275 4.384 0.934 1.00 0.00 O ATOM 678 CB GLN A 45 -8.582 2.193 -0.974 1.00 0.00 C ATOM 679 CG GLN A 45 -8.151 3.183 -2.044 1.00 0.00 C ATOM 680 CD GLN A 45 -9.323 3.912 -2.669 1.00 0.00 C ATOM 681 OE1 GLN A 45 -9.938 4.777 -2.044 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.640 3.566 -3.912 1.00 0.00 N ATOM 0 H GLN A 45 -8.625 0.331 0.652 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.596 2.154 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.671 1.203 -1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.573 2.469 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.467 3.910 -1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.600 2.655 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.104 2.844 -4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.420 4.022 -4.385 1.00 0.00 H new ATOM 691 N GLU A 46 -8.672 3.116 2.159 1.00 0.00 N ATOM 692 CA GLU A 46 -8.967 4.175 3.117 1.00 0.00 C ATOM 693 C GLU A 46 -7.761 4.447 4.011 1.00 0.00 C ATOM 694 O GLU A 46 -7.591 5.553 4.522 1.00 0.00 O ATOM 695 CB GLU A 46 -10.176 3.794 3.972 1.00 0.00 C ATOM 696 CG GLU A 46 -11.018 4.985 4.400 1.00 0.00 C ATOM 697 CD GLU A 46 -11.425 4.917 5.860 1.00 0.00 C ATOM 698 OE1 GLU A 46 -10.582 5.229 6.726 1.00 0.00 O ATOM 699 OE2 GLU A 46 -12.587 4.551 6.135 1.00 0.00 O ATOM 0 H GLU A 46 -9.151 2.234 2.344 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.197 5.084 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.802 3.099 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.830 3.266 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.457 5.903 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.913 5.035 3.779 1.00 0.00 H new ATOM 706 N ALA A 47 -6.928 3.427 4.199 1.00 0.00 N ATOM 707 CA ALA A 47 -5.740 3.554 5.035 1.00 0.00 C ATOM 708 C ALA A 47 -4.711 4.483 4.399 1.00 0.00 C ATOM 709 O ALA A 47 -4.212 5.405 5.045 1.00 0.00 O ATOM 710 CB ALA A 47 -5.129 2.185 5.291 1.00 0.00 C ATOM 0 H ALA A 47 -7.054 2.504 3.783 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.043 3.992 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.243 2.293 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.856 1.551 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.850 1.728 4.342 1.00 0.00 H new ATOM 716 N CYS A 48 -4.392 4.233 3.133 1.00 0.00 N ATOM 717 CA CYS A 48 -3.416 5.049 2.418 1.00 0.00 C ATOM 718 C CYS A 48 -3.861 6.508 2.357 1.00 0.00 C ATOM 719 O CYS A 48 -3.055 7.420 2.539 1.00 0.00 O ATOM 720 CB CYS A 48 -3.195 4.502 1.002 1.00 0.00 C ATOM 721 SG CYS A 48 -4.603 4.744 -0.130 1.00 0.00 S ATOM 0 H CYS A 48 -4.794 3.474 2.582 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.474 5.003 2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.315 4.982 0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.977 3.436 1.068 1.00 0.00 H new ATOM 726 N MET A 49 -5.147 6.721 2.098 1.00 0.00 N ATOM 727 CA MET A 49 -5.696 8.071 2.011 1.00 0.00 C ATOM 728 C MET A 49 -5.869 8.688 3.396 1.00 0.00 C ATOM 729 O MET A 49 -5.876 9.911 3.543 1.00 0.00 O ATOM 730 CB MET A 49 -7.041 8.048 1.281 1.00 0.00 C ATOM 731 CG MET A 49 -7.246 9.231 0.347 1.00 0.00 C ATOM 732 SD MET A 49 -8.524 10.365 0.925 1.00 0.00 S ATOM 733 CE MET A 49 -9.992 9.597 0.244 1.00 0.00 C ATOM 0 H MET A 49 -5.828 5.978 1.945 1.00 0.00 H new ATOM 0 HA MET A 49 -4.991 8.684 1.450 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.118 7.125 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.845 8.033 2.017 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.306 9.773 0.243 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.514 8.864 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.869 10.184 0.516 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.909 9.552 -0.842 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.093 8.588 0.643 1.00 0.00 H new ATOM 743 N LYS A 50 -6.012 7.841 4.408 1.00 0.00 N ATOM 744 CA LYS A 50 -6.190 8.311 5.778 1.00 0.00 C ATOM 745 C LYS A 50 -4.850 8.475 6.494 1.00 0.00 C ATOM 746 O LYS A 50 -4.783 9.077 7.566 1.00 0.00 O ATOM 747 CB LYS A 50 -7.080 7.338 6.555 1.00 0.00 C ATOM 748 CG LYS A 50 -7.456 7.829 7.945 1.00 0.00 C ATOM 749 CD LYS A 50 -8.122 6.732 8.762 1.00 0.00 C ATOM 750 CE LYS A 50 -7.575 6.686 10.179 1.00 0.00 C ATOM 751 NZ LYS A 50 -7.996 5.449 10.896 1.00 0.00 N ATOM 0 H LYS A 50 -6.008 6.826 4.307 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.670 9.289 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.991 7.158 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.566 6.381 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.563 8.178 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.130 8.682 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.198 6.901 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.963 5.768 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.487 6.736 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.920 7.561 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.603 5.455 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.034 5.413 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.645 4.615 10.384 1.00 0.00 H new ATOM 765 N ARG A 51 -3.785 7.933 5.907 1.00 0.00 N ATOM 766 CA ARG A 51 -2.458 8.022 6.510 1.00 0.00 C ATOM 767 C ARG A 51 -1.542 8.964 5.731 1.00 0.00 C ATOM 768 O ARG A 51 -0.531 9.429 6.258 1.00 0.00 O ATOM 769 CB ARG A 51 -1.823 6.633 6.589 1.00 0.00 C ATOM 770 CG ARG A 51 -2.608 5.653 7.444 1.00 0.00 C ATOM 771 CD ARG A 51 -2.002 5.512 8.831 1.00 0.00 C ATOM 772 NE ARG A 51 -2.486 6.541 9.747 1.00 0.00 N ATOM 773 CZ ARG A 51 -2.384 6.464 11.072 1.00 0.00 C ATOM 774 NH1 ARG A 51 -1.816 5.407 11.639 1.00 0.00 N ATOM 775 NH2 ARG A 51 -2.850 7.444 11.832 1.00 0.00 N ATOM 0 H ARG A 51 -3.815 7.431 5.020 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.580 8.428 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.728 6.228 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.814 6.726 6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.641 5.990 7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.630 4.679 6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.241 4.527 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.916 5.572 8.760 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.929 7.368 9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.455 4.649 11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.740 5.352 12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.288 8.259 11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.771 7.384 12.847 1.00 0.00 H new ATOM 789 N CYS A 52 -1.886 9.237 4.475 1.00 0.00 N ATOM 790 CA CYS A 52 -1.072 10.118 3.641 1.00 0.00 C ATOM 791 C CYS A 52 -1.849 11.358 3.207 1.00 0.00 C ATOM 792 O CYS A 52 -1.280 12.442 3.081 1.00 0.00 O ATOM 793 CB CYS A 52 -0.564 9.360 2.412 1.00 0.00 C ATOM 794 SG CYS A 52 1.235 9.070 2.410 1.00 0.00 S ATOM 0 H CYS A 52 -2.716 8.864 4.015 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.222 10.449 4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.076 8.400 2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.832 9.920 1.516 1.00 0.00 H new ATOM 799 N ALA A 53 -3.147 11.196 2.973 1.00 0.00 N ATOM 800 CA ALA A 53 -3.986 12.309 2.548 1.00 0.00 C ATOM 801 C ALA A 53 -4.475 13.116 3.745 1.00 0.00 C ATOM 802 O ALA A 53 -4.771 14.306 3.623 1.00 0.00 O ATOM 803 CB ALA A 53 -5.165 11.801 1.732 1.00 0.00 C ATOM 0 H ALA A 53 -3.639 10.308 3.070 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.384 12.967 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.783 12.644 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.798 11.276 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.760 11.119 2.339 1.00 0.00 H new ATOM 809 N LYS A 54 -4.557 12.467 4.901 1.00 0.00 N ATOM 810 CA LYS A 54 -5.010 13.132 6.116 1.00 0.00 C ATOM 811 C LYS A 54 -3.826 13.553 6.980 1.00 0.00 C ATOM 812 O LYS A 54 -3.849 14.610 7.609 1.00 0.00 O ATOM 813 CB LYS A 54 -5.940 12.213 6.911 1.00 0.00 C ATOM 814 CG LYS A 54 -7.416 12.492 6.674 1.00 0.00 C ATOM 815 CD LYS A 54 -8.263 11.247 6.892 1.00 0.00 C ATOM 816 CE LYS A 54 -9.122 10.937 5.675 1.00 0.00 C ATOM 817 NZ LYS A 54 -10.194 9.953 5.989 1.00 0.00 N ATOM 0 H LYS A 54 -4.316 11.483 5.022 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.560 14.028 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.727 11.177 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.724 12.322 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.750 13.282 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.559 12.857 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.615 10.398 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.902 11.389 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.572 11.858 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.492 10.545 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.757 9.768 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.764 9.065 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.811 10.337 6.733 1.00 0.00 H new ATOM 831 N ALA A 55 -2.791 12.719 7.007 1.00 0.00 N ATOM 832 CA ALA A 55 -1.599 13.006 7.794 1.00 0.00 C ATOM 833 C ALA A 55 -0.440 13.431 6.899 1.00 0.00 C ATOM 834 O ALA A 55 -0.407 12.997 5.729 1.00 0.00 O ATOM 835 CB ALA A 55 -1.210 11.792 8.623 1.00 0.00 C ATOM 836 OXT ALA A 55 0.425 14.197 7.376 1.00 0.00 O ATOM 0 H ALA A 55 -2.755 11.839 6.492 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.827 13.833 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.318 12.020 9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.027 11.534 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.005 10.950 7.962 1.00 0.00 H new