USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 430 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 9 THR OG1 : rot 180:sc= 0.0795 USER MOD Set 1.2: A 31 ASN : amide:sc= -10.6! C(o=-11!,f=-21!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.665 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 1 ARG N :NH3+ 164:sc= -4.97! (180deg=-6.33!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.63 F(o=-3.1!,f=-1.6) USER MOD Single : A 6 HIS :FLIP no HE2:sc= -6.37! C(o=-8.1!,f=-6.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.49! C(o=-4.5!,f=-4!) USER MOD Single : A 21 SER OG : rot 180:sc= -1.16! USER MOD Single : A 23 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.45 F(o=-3.6!,f=-1.5) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 112:sc= 1.9 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -8.17! C(o=-8.2!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.300 11.981 3.060 1.00 0.00 N ATOM 2 CA ARG A 1 2.217 12.865 2.547 1.00 0.00 C ATOM 3 C ARG A 1 0.957 12.024 2.302 1.00 0.00 C ATOM 4 O ARG A 1 0.574 11.225 3.133 1.00 0.00 O ATOM 5 CB ARG A 1 2.674 13.537 1.244 1.00 0.00 C ATOM 6 CG ARG A 1 2.942 12.475 0.168 1.00 0.00 C ATOM 7 CD ARG A 1 4.316 11.843 0.397 1.00 0.00 C ATOM 8 NE ARG A 1 5.256 12.271 -0.677 1.00 0.00 N ATOM 9 CZ ARG A 1 5.373 13.536 -0.974 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.710 14.395 -0.051 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.155 13.945 -2.194 1.00 0.00 N ATOM 0 H1 ARG A 1 4.215 12.467 2.973 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.121 11.756 4.060 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.322 11.101 2.506 1.00 0.00 H new ATOM 0 HA ARG A 1 1.992 13.641 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.910 14.233 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.577 14.120 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.168 11.708 0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.900 12.928 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.704 12.139 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.229 10.756 0.405 1.00 0.00 H new ATOM 0 HE ARG A 1 5.808 11.576 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.882 14.077 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.801 15.384 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.893 13.275 -2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.247 14.934 -2.424 1.00 0.00 H new ATOM 27 N ILE A 2 0.301 12.186 1.180 1.00 0.00 N ATOM 28 CA ILE A 2 -0.925 11.375 0.928 1.00 0.00 C ATOM 29 C ILE A 2 -0.586 10.173 0.074 1.00 0.00 C ATOM 30 O ILE A 2 0.074 10.282 -0.939 1.00 0.00 O ATOM 31 CB ILE A 2 -1.966 12.203 0.181 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.109 13.545 0.878 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.307 11.462 0.183 1.00 0.00 C ATOM 34 CD1 ILE A 2 -2.136 14.667 -0.162 1.00 0.00 C ATOM 0 H ILE A 2 0.558 12.836 0.438 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.321 11.057 1.892 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.654 12.358 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.024 13.563 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.280 13.697 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.051 12.054 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.190 10.497 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.636 11.308 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.239 15.628 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.209 14.655 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.980 14.519 -0.836 1.00 0.00 H new ATOM 46 N CYS A 3 -1.065 9.031 0.451 1.00 0.00 N ATOM 47 CA CYS A 3 -0.797 7.836 -0.377 1.00 0.00 C ATOM 48 C CYS A 3 -2.110 7.088 -0.587 1.00 0.00 C ATOM 49 O CYS A 3 -3.121 7.424 -0.004 1.00 0.00 O ATOM 50 CB CYS A 3 0.222 6.915 0.305 1.00 0.00 C ATOM 51 SG CYS A 3 1.814 7.764 0.468 1.00 0.00 S ATOM 0 H CYS A 3 -1.625 8.873 1.288 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.380 8.148 -1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.144 6.619 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.346 6.002 -0.277 1.00 0.00 H new ATOM 56 N TYR A 4 -2.117 6.080 -1.413 1.00 0.00 N ATOM 57 CA TYR A 4 -3.386 5.341 -1.633 1.00 0.00 C ATOM 58 C TYR A 4 -3.644 4.425 -0.441 1.00 0.00 C ATOM 59 O TYR A 4 -2.736 3.854 0.130 1.00 0.00 O ATOM 60 CB TYR A 4 -3.298 4.499 -2.906 1.00 0.00 C ATOM 61 CG TYR A 4 -3.905 5.253 -4.066 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.243 6.360 -4.609 1.00 0.00 C ATOM 63 CD2 TYR A 4 -5.128 4.838 -4.605 1.00 0.00 C ATOM 64 CE1 TYR A 4 -3.806 7.051 -5.690 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.690 5.527 -5.683 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.029 6.633 -6.226 1.00 0.00 C ATOM 67 OH TYR A 4 -5.583 7.313 -7.291 1.00 0.00 O ATOM 0 H TYR A 4 -1.311 5.741 -1.938 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.201 6.058 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.257 4.259 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.820 3.553 -2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.299 6.681 -4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.639 3.983 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.296 7.906 -6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.634 5.205 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.432 6.893 -7.542 1.00 0.00 H new ATOM 77 N ASN A 5 -4.882 4.277 -0.068 1.00 0.00 N ATOM 78 CA ASN A 5 -5.226 3.401 1.077 1.00 0.00 C ATOM 79 C ASN A 5 -6.025 2.207 0.555 1.00 0.00 C ATOM 80 O ASN A 5 -6.017 1.137 1.129 1.00 0.00 O ATOM 81 CB ASN A 5 -6.068 4.192 2.087 1.00 0.00 C ATOM 82 CG ASN A 5 -6.807 3.223 3.013 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.251 2.083 3.313 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.898 3.507 3.465 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.678 4.732 -0.515 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.319 3.050 1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.427 4.852 2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.783 4.825 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.331 4.400 3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.381 2.853 4.081 1.00 0.00 H new ATOM 91 N HIS A 6 -6.730 2.389 -0.526 1.00 0.00 N ATOM 92 CA HIS A 6 -7.550 1.274 -1.065 1.00 0.00 C ATOM 93 C HIS A 6 -6.703 0.004 -1.201 1.00 0.00 C ATOM 94 O HIS A 6 -5.662 -0.016 -1.831 1.00 0.00 O ATOM 95 CB HIS A 6 -8.177 1.700 -2.410 1.00 0.00 C ATOM 96 CG HIS A 6 -7.599 0.927 -3.570 1.00 0.00 C ATOM 97 ND1 HIS A 6 -7.965 -0.261 -4.152 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -6.513 1.383 -4.298 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -7.124 -0.538 -5.224 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -6.269 0.486 -5.269 1.00 0.00 N flip ATOM 0 H HIS A 6 -6.773 3.259 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.360 1.044 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.255 1.546 -2.373 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.012 2.766 -2.566 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.738 -0.852 -3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.962 2.294 -4.118 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.156 -1.396 -5.879 1.00 0.00 H new ATOM 108 N LEU A 7 -7.164 -1.057 -0.602 1.00 0.00 N ATOM 109 CA LEU A 7 -6.439 -2.352 -0.670 1.00 0.00 C ATOM 110 C LEU A 7 -7.188 -3.271 -1.636 1.00 0.00 C ATOM 111 O LEU A 7 -8.315 -2.990 -1.977 1.00 0.00 O ATOM 112 CB LEU A 7 -6.421 -2.980 0.726 1.00 0.00 C ATOM 113 CG LEU A 7 -7.856 -3.117 1.238 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.182 -4.594 1.457 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.999 -2.364 2.562 1.00 0.00 C ATOM 0 H LEU A 7 -8.027 -1.080 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.416 -2.204 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.940 -3.958 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.837 -2.362 1.408 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.544 -2.698 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.205 -4.691 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.080 -5.133 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.494 -5.014 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.021 -2.461 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.310 -2.783 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.767 -1.310 2.408 1.00 0.00 H new ATOM 127 N GLY A 8 -6.563 -4.356 -2.058 1.00 0.00 N ATOM 128 CA GLY A 8 -7.204 -5.349 -2.996 1.00 0.00 C ATOM 129 C GLY A 8 -8.610 -4.920 -3.385 1.00 0.00 C ATOM 130 O GLY A 8 -8.874 -4.553 -4.512 1.00 0.00 O ATOM 0 H GLY A 8 -5.611 -4.600 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.593 -5.451 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.240 -6.329 -2.521 1.00 0.00 H new ATOM 134 N THR A 9 -9.515 -4.957 -2.448 1.00 0.00 N ATOM 135 CA THR A 9 -10.899 -4.540 -2.751 1.00 0.00 C ATOM 136 C THR A 9 -10.854 -3.239 -3.549 1.00 0.00 C ATOM 137 O THR A 9 -10.170 -2.300 -3.199 1.00 0.00 O ATOM 138 CB THR A 9 -11.667 -4.316 -1.445 1.00 0.00 C ATOM 139 OG1 THR A 9 -10.922 -4.851 -0.361 1.00 0.00 O ATOM 140 CG2 THR A 9 -13.027 -5.010 -1.525 1.00 0.00 C ATOM 0 H THR A 9 -9.350 -5.259 -1.488 1.00 0.00 H new ATOM 0 HA THR A 9 -11.402 -5.314 -3.330 1.00 0.00 H new ATOM 0 HB THR A 9 -11.816 -3.247 -1.290 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.412 -4.707 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.572 -4.850 -0.595 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.598 -4.597 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.881 -6.079 -1.681 1.00 0.00 H new ATOM 148 N LYS A 10 -11.574 -3.194 -4.627 1.00 0.00 N ATOM 149 CA LYS A 10 -11.587 -1.974 -5.489 1.00 0.00 C ATOM 150 C LYS A 10 -12.507 -0.825 -4.978 1.00 0.00 C ATOM 151 O LYS A 10 -12.399 0.275 -5.480 1.00 0.00 O ATOM 152 CB LYS A 10 -12.034 -2.376 -6.897 1.00 0.00 C ATOM 153 CG LYS A 10 -11.829 -1.202 -7.856 1.00 0.00 C ATOM 154 CD LYS A 10 -13.165 -0.493 -8.092 1.00 0.00 C ATOM 155 CE LYS A 10 -14.121 -1.433 -8.830 1.00 0.00 C ATOM 156 NZ LYS A 10 -14.893 -0.658 -9.842 1.00 0.00 N ATOM 0 H LYS A 10 -12.164 -3.958 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.572 -1.577 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.464 -3.240 -7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.083 -2.671 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.103 -0.503 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.423 -1.559 -8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.600 -0.189 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.009 0.415 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.560 -2.231 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.801 -1.907 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.543 -1.295 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.439 0.088 -9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.236 -0.226 -10.523 1.00 0.00 H new ATOM 170 N PRO A 11 -13.391 -1.073 -4.026 1.00 0.00 N ATOM 171 CA PRO A 11 -14.304 -0.021 -3.521 1.00 0.00 C ATOM 172 C PRO A 11 -13.679 1.050 -2.578 1.00 0.00 C ATOM 173 O PRO A 11 -14.245 2.120 -2.460 1.00 0.00 O ATOM 174 CB PRO A 11 -15.418 -0.811 -2.827 1.00 0.00 C ATOM 175 CG PRO A 11 -14.833 -2.200 -2.495 1.00 0.00 C ATOM 176 CD PRO A 11 -13.595 -2.388 -3.391 1.00 0.00 C ATOM 0 HA PRO A 11 -14.640 0.601 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.747 -0.302 -1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.290 -0.903 -3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.561 -2.263 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.568 -2.983 -2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.724 -2.685 -2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.760 -3.167 -4.136 1.00 0.00 H new ATOM 184 N PRO A 12 -12.566 0.783 -1.936 1.00 0.00 N ATOM 185 CA PRO A 12 -11.937 1.770 -1.033 1.00 0.00 C ATOM 186 C PRO A 12 -11.269 2.891 -1.841 1.00 0.00 C ATOM 187 O PRO A 12 -11.361 2.928 -3.052 1.00 0.00 O ATOM 188 CB PRO A 12 -10.931 0.944 -0.235 1.00 0.00 C ATOM 189 CG PRO A 12 -10.645 -0.319 -1.077 1.00 0.00 C ATOM 190 CD PRO A 12 -11.839 -0.486 -2.035 1.00 0.00 C ATOM 0 HA PRO A 12 -12.647 2.278 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.016 1.510 -0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.334 0.677 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.714 -0.212 -1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.535 -1.195 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.506 -0.675 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.467 -1.328 -1.744 1.00 0.00 H new ATOM 198 N THR A 13 -10.628 3.829 -1.186 1.00 0.00 N ATOM 199 CA THR A 13 -10.006 4.961 -1.942 1.00 0.00 C ATOM 200 C THR A 13 -8.670 5.383 -1.319 1.00 0.00 C ATOM 201 O THR A 13 -8.018 4.625 -0.629 1.00 0.00 O ATOM 202 CB THR A 13 -10.957 6.156 -1.899 1.00 0.00 C ATOM 203 OG1 THR A 13 -10.514 7.147 -2.815 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.969 6.727 -0.482 1.00 0.00 C ATOM 0 H THR A 13 -10.509 3.860 -0.173 1.00 0.00 H new ATOM 0 HA THR A 13 -9.824 4.633 -2.966 1.00 0.00 H new ATOM 0 HB THR A 13 -11.963 5.842 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.125 7.913 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.645 7.581 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.308 5.961 0.216 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.963 7.047 -0.210 1.00 0.00 H new ATOM 212 N THR A 14 -8.269 6.607 -1.574 1.00 0.00 N ATOM 213 CA THR A 14 -6.986 7.121 -1.019 1.00 0.00 C ATOM 214 C THR A 14 -7.223 7.896 0.271 1.00 0.00 C ATOM 215 O THR A 14 -8.328 8.279 0.600 1.00 0.00 O ATOM 216 CB THR A 14 -6.320 8.056 -2.028 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.279 8.973 -2.535 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.745 7.233 -3.166 1.00 0.00 C ATOM 0 H THR A 14 -8.784 7.274 -2.149 1.00 0.00 H new ATOM 0 HA THR A 14 -6.344 6.264 -0.813 1.00 0.00 H new ATOM 0 HB THR A 14 -5.520 8.612 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.849 9.572 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.268 7.895 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.007 6.534 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.546 6.678 -3.655 1.00 0.00 H new ATOM 226 N GLU A 15 -6.166 8.137 0.990 1.00 0.00 N ATOM 227 CA GLU A 15 -6.262 8.904 2.261 1.00 0.00 C ATOM 228 C GLU A 15 -4.907 9.561 2.519 1.00 0.00 C ATOM 229 O GLU A 15 -3.917 9.208 1.910 1.00 0.00 O ATOM 230 CB GLU A 15 -6.605 7.959 3.414 1.00 0.00 C ATOM 231 CG GLU A 15 -5.463 6.962 3.611 1.00 0.00 C ATOM 232 CD GLU A 15 -4.420 7.556 4.557 1.00 0.00 C ATOM 233 OE1 GLU A 15 -4.791 7.928 5.659 1.00 0.00 O ATOM 234 OE2 GLU A 15 -3.267 7.631 4.166 1.00 0.00 O ATOM 0 H GLU A 15 -5.224 7.830 0.747 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.044 9.660 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.767 8.528 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.533 7.428 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.849 6.028 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.005 6.725 2.651 1.00 0.00 H new ATOM 241 N THR A 16 -4.841 10.508 3.409 1.00 0.00 N ATOM 242 CA THR A 16 -3.531 11.160 3.675 1.00 0.00 C ATOM 243 C THR A 16 -2.825 10.430 4.817 1.00 0.00 C ATOM 244 O THR A 16 -3.456 9.879 5.697 1.00 0.00 O ATOM 245 CB THR A 16 -3.744 12.625 4.055 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.833 13.150 3.309 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.477 13.423 3.745 1.00 0.00 C ATOM 0 H THR A 16 -5.627 10.856 3.958 1.00 0.00 H new ATOM 0 HA THR A 16 -2.917 11.113 2.776 1.00 0.00 H new ATOM 0 HB THR A 16 -3.964 12.698 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.973 14.089 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.629 14.468 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.643 13.018 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.255 13.353 2.680 1.00 0.00 H new ATOM 255 N CYS A 17 -1.522 10.409 4.800 1.00 0.00 N ATOM 256 CA CYS A 17 -0.778 9.701 5.875 1.00 0.00 C ATOM 257 C CYS A 17 0.465 10.500 6.269 1.00 0.00 C ATOM 258 O CYS A 17 0.698 11.588 5.781 1.00 0.00 O ATOM 259 CB CYS A 17 -0.357 8.334 5.358 1.00 0.00 C ATOM 260 SG CYS A 17 -0.299 7.152 6.723 1.00 0.00 S ATOM 0 H CYS A 17 -0.941 10.852 4.088 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.418 9.592 6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.059 7.991 4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.621 8.401 4.882 1.00 0.00 H new ATOM 265 N GLN A 18 1.262 9.971 7.160 1.00 0.00 N ATOM 266 CA GLN A 18 2.484 10.701 7.598 1.00 0.00 C ATOM 267 C GLN A 18 3.705 10.248 6.816 1.00 0.00 C ATOM 268 O GLN A 18 4.539 11.043 6.431 1.00 0.00 O ATOM 269 CB GLN A 18 2.752 10.415 9.069 1.00 0.00 C ATOM 270 CG GLN A 18 4.112 11.010 9.480 1.00 0.00 C ATOM 271 CD GLN A 18 4.367 12.335 8.744 1.00 0.00 C ATOM 272 OE1 GLN A 18 5.462 12.577 8.274 1.00 0.00 O ATOM 273 NE2 GLN A 18 3.401 13.204 8.623 1.00 0.00 N ATOM 0 H GLN A 18 1.118 9.064 7.603 1.00 0.00 H new ATOM 0 HA GLN A 18 2.311 11.763 7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.958 10.842 9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.747 9.339 9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.132 11.176 10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.909 10.302 9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.482 13.003 9.017 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.565 14.084 8.135 1.00 0.00 H new ATOM 282 N GLU A 19 3.843 8.976 6.613 1.00 0.00 N ATOM 283 CA GLU A 19 5.055 8.493 5.891 1.00 0.00 C ATOM 284 C GLU A 19 5.027 9.029 4.468 1.00 0.00 C ATOM 285 O GLU A 19 4.090 8.820 3.722 1.00 0.00 O ATOM 286 CB GLU A 19 5.131 6.961 5.849 1.00 0.00 C ATOM 287 CG GLU A 19 4.217 6.342 6.912 1.00 0.00 C ATOM 288 CD GLU A 19 4.524 6.967 8.274 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.658 7.368 8.477 1.00 0.00 O ATOM 290 OE2 GLU A 19 3.621 7.032 9.090 1.00 0.00 O ATOM 0 H GLU A 19 3.185 8.255 6.908 1.00 0.00 H new ATOM 0 HA GLU A 19 5.932 8.854 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.840 6.605 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.159 6.639 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.172 6.509 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.367 5.263 6.953 1.00 0.00 H new ATOM 297 N ASP A 20 6.057 9.729 4.094 1.00 0.00 N ATOM 298 CA ASP A 20 6.107 10.300 2.716 1.00 0.00 C ATOM 299 C ASP A 20 6.121 9.151 1.726 1.00 0.00 C ATOM 300 O ASP A 20 5.841 9.317 0.555 1.00 0.00 O ATOM 301 CB ASP A 20 7.357 11.171 2.487 1.00 0.00 C ATOM 302 CG ASP A 20 8.222 11.242 3.749 1.00 0.00 C ATOM 303 OD1 ASP A 20 7.967 12.106 4.570 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.124 10.429 3.872 1.00 0.00 O ATOM 0 H ASP A 20 6.867 9.932 4.679 1.00 0.00 H new ATOM 0 HA ASP A 20 5.234 10.938 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.943 10.762 1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.054 12.176 2.194 1.00 0.00 H new ATOM 309 N SER A 21 6.441 7.977 2.187 1.00 0.00 N ATOM 310 CA SER A 21 6.464 6.818 1.273 1.00 0.00 C ATOM 311 C SER A 21 5.046 6.273 1.145 1.00 0.00 C ATOM 312 O SER A 21 4.161 6.641 1.894 1.00 0.00 O ATOM 313 CB SER A 21 7.379 5.729 1.839 1.00 0.00 C ATOM 314 OG SER A 21 7.792 6.096 3.149 1.00 0.00 O ATOM 0 H SER A 21 6.686 7.775 3.156 1.00 0.00 H new ATOM 0 HA SER A 21 6.839 7.124 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.854 4.774 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.248 5.597 1.195 1.00 0.00 H new ATOM 0 HG SER A 21 8.377 5.400 3.515 1.00 0.00 H new ATOM 320 N CYS A 22 4.824 5.375 0.232 1.00 0.00 N ATOM 321 CA CYS A 22 3.472 4.776 0.085 1.00 0.00 C ATOM 322 C CYS A 22 3.678 3.278 -0.094 1.00 0.00 C ATOM 323 O CYS A 22 4.323 2.848 -1.030 1.00 0.00 O ATOM 324 CB CYS A 22 2.761 5.353 -1.142 1.00 0.00 C ATOM 325 SG CYS A 22 2.888 7.161 -1.137 1.00 0.00 S ATOM 0 H CYS A 22 5.525 5.028 -0.423 1.00 0.00 H new ATOM 0 HA CYS A 22 2.855 4.993 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.205 4.951 -2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.713 5.054 -1.140 1.00 0.00 H new ATOM 330 N TYR A 23 3.176 2.470 0.793 1.00 0.00 N ATOM 331 CA TYR A 23 3.411 1.014 0.630 1.00 0.00 C ATOM 332 C TYR A 23 2.219 0.357 -0.039 1.00 0.00 C ATOM 333 O TYR A 23 1.079 0.586 0.301 1.00 0.00 O ATOM 334 CB TYR A 23 3.694 0.336 1.984 1.00 0.00 C ATOM 335 CG TYR A 23 2.422 0.174 2.790 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.446 -0.740 2.382 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.230 0.920 3.958 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.279 -0.910 3.129 1.00 0.00 C ATOM 339 CE2 TYR A 23 1.060 0.753 4.709 1.00 0.00 C ATOM 340 CZ TYR A 23 0.084 -0.162 4.294 1.00 0.00 C ATOM 341 OH TYR A 23 -1.069 -0.327 5.037 1.00 0.00 O ATOM 0 H TYR A 23 2.625 2.746 1.606 1.00 0.00 H new ATOM 0 HA TYR A 23 4.290 0.889 -0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.149 -0.640 1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.413 0.930 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.596 -1.319 1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.983 1.624 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.471 -1.617 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.910 1.330 5.609 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.044 0.268 5.815 1.00 0.00 H new ATOM 351 N LYS A 24 2.488 -0.467 -0.989 1.00 0.00 N ATOM 352 CA LYS A 24 1.400 -1.185 -1.688 1.00 0.00 C ATOM 353 C LYS A 24 1.906 -2.590 -1.974 1.00 0.00 C ATOM 354 O LYS A 24 2.687 -2.817 -2.877 1.00 0.00 O ATOM 355 CB LYS A 24 1.027 -0.415 -2.951 1.00 0.00 C ATOM 356 CG LYS A 24 0.325 -1.314 -3.964 1.00 0.00 C ATOM 357 CD LYS A 24 0.897 -1.008 -5.344 1.00 0.00 C ATOM 358 CE LYS A 24 -0.052 -0.074 -6.091 1.00 0.00 C ATOM 359 NZ LYS A 24 -0.377 -0.655 -7.424 1.00 0.00 N ATOM 0 H LYS A 24 3.428 -0.681 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 24 0.492 -1.258 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.376 0.420 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.926 0.009 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.478 -2.363 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.750 -1.137 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.879 -0.545 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.033 -1.932 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.965 0.071 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.408 0.907 -6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.023 -0.018 -7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.498 -0.772 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.832 -1.581 -7.297 1.00 0.00 H new ATOM 373 N ASN A 25 1.508 -3.525 -1.161 1.00 0.00 N ATOM 374 CA ASN A 25 2.011 -4.916 -1.328 1.00 0.00 C ATOM 375 C ASN A 25 0.865 -5.915 -1.483 1.00 0.00 C ATOM 376 O ASN A 25 -0.290 -5.594 -1.304 1.00 0.00 O ATOM 377 CB ASN A 25 2.826 -5.286 -0.094 1.00 0.00 C ATOM 378 CG ASN A 25 2.181 -4.692 1.156 1.00 0.00 C ATOM 379 OD1 ASN A 25 2.176 -3.398 1.316 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.676 -5.411 1.995 1.00 0.00 N flip ATOM 0 H ASN A 25 0.857 -3.387 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 25 2.620 -4.958 -2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.888 -6.370 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.846 -4.916 -0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.680 -6.423 1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.247 -5.003 2.826 1.00 0.00 H new ATOM 387 N ILE A 26 1.204 -7.137 -1.808 1.00 0.00 N ATOM 388 CA ILE A 26 0.173 -8.199 -1.978 1.00 0.00 C ATOM 389 C ILE A 26 -0.069 -8.891 -0.635 1.00 0.00 C ATOM 390 O ILE A 26 -1.086 -9.518 -0.420 1.00 0.00 O ATOM 391 CB ILE A 26 0.681 -9.227 -2.992 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.810 -10.048 -2.364 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.213 -8.505 -4.231 1.00 0.00 C ATOM 394 CD1 ILE A 26 1.245 -11.361 -1.817 1.00 0.00 C ATOM 0 H ILE A 26 2.164 -7.445 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.758 -7.757 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.138 -9.887 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.581 -10.253 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.283 -9.481 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.574 -9.238 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.413 -7.917 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.031 -7.845 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.049 -11.945 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.490 -11.145 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.793 -11.929 -2.630 1.00 0.00 H new ATOM 406 N TRP A 27 0.863 -8.783 0.270 1.00 0.00 N ATOM 407 CA TRP A 27 0.689 -9.430 1.598 1.00 0.00 C ATOM 408 C TRP A 27 -0.420 -8.711 2.360 1.00 0.00 C ATOM 409 O TRP A 27 -0.422 -7.501 2.471 1.00 0.00 O ATOM 410 CB TRP A 27 1.986 -9.319 2.388 1.00 0.00 C ATOM 411 CG TRP A 27 3.148 -9.585 1.482 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.952 -8.636 0.948 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.645 -10.865 0.994 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.911 -9.253 0.164 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.764 -10.625 0.160 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.239 -12.198 1.191 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.455 -11.670 -0.455 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.933 -13.252 0.571 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.039 -12.988 -0.249 1.00 0.00 C ATOM 0 H TRP A 27 1.738 -8.274 0.146 1.00 0.00 H new ATOM 0 HA TRP A 27 0.430 -10.480 1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.073 -8.325 2.826 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.984 -10.032 3.213 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.860 -7.572 1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.638 -8.754 -0.349 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.389 -12.413 1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.306 -11.461 -1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.612 -14.271 0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.569 -13.802 -0.721 1.00 0.00 H new ATOM 430 N THR A 28 -1.368 -9.436 2.881 1.00 0.00 N ATOM 431 CA THR A 28 -2.469 -8.769 3.621 1.00 0.00 C ATOM 432 C THR A 28 -3.153 -9.765 4.561 1.00 0.00 C ATOM 433 O THR A 28 -2.690 -10.871 4.753 1.00 0.00 O ATOM 434 CB THR A 28 -3.471 -8.226 2.608 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.372 -7.339 3.258 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.249 -9.386 1.985 1.00 0.00 C ATOM 0 H THR A 28 -1.427 -10.453 2.827 1.00 0.00 H new ATOM 0 HA THR A 28 -2.071 -7.952 4.223 1.00 0.00 H new ATOM 0 HB THR A 28 -2.938 -7.688 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.014 -6.989 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.965 -8.997 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.556 -10.061 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.782 -9.928 2.766 1.00 0.00 H new ATOM 444 N PHE A 29 -4.253 -9.376 5.148 1.00 0.00 N ATOM 445 CA PHE A 29 -4.971 -10.295 6.078 1.00 0.00 C ATOM 446 C PHE A 29 -5.927 -11.185 5.281 1.00 0.00 C ATOM 447 O PHE A 29 -5.603 -12.302 4.929 1.00 0.00 O ATOM 448 CB PHE A 29 -5.768 -9.472 7.091 1.00 0.00 C ATOM 449 CG PHE A 29 -4.848 -8.994 8.189 1.00 0.00 C ATOM 450 CD1 PHE A 29 -4.292 -9.914 9.086 1.00 0.00 C ATOM 451 CD2 PHE A 29 -4.550 -7.632 8.310 1.00 0.00 C ATOM 452 CE1 PHE A 29 -3.440 -9.470 10.105 1.00 0.00 C ATOM 453 CE2 PHE A 29 -3.698 -7.188 9.328 1.00 0.00 C ATOM 454 CZ PHE A 29 -3.143 -8.108 10.226 1.00 0.00 C ATOM 0 H PHE A 29 -4.686 -8.461 5.024 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.247 -10.919 6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.234 -8.620 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.572 -10.075 7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.520 -10.965 8.992 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.978 -6.923 7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.012 -10.179 10.798 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.469 -6.137 9.421 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.486 -7.766 11.012 1.00 0.00 H new ATOM 464 N ASP A 30 -7.107 -10.701 4.997 1.00 0.00 N ATOM 465 CA ASP A 30 -8.084 -11.522 4.227 1.00 0.00 C ATOM 466 C ASP A 30 -8.294 -10.907 2.839 1.00 0.00 C ATOM 467 O ASP A 30 -9.107 -11.366 2.062 1.00 0.00 O ATOM 468 CB ASP A 30 -9.417 -11.560 4.981 1.00 0.00 C ATOM 469 CG ASP A 30 -9.221 -12.273 6.321 1.00 0.00 C ATOM 470 OD1 ASP A 30 -8.433 -13.203 6.366 1.00 0.00 O ATOM 471 OD2 ASP A 30 -9.863 -11.877 7.281 1.00 0.00 O ATOM 0 H ASP A 30 -7.436 -9.773 5.265 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.700 -12.536 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.784 -10.547 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.169 -12.079 4.387 1.00 0.00 H new ATOM 476 N ASN A 31 -7.563 -9.870 2.519 1.00 0.00 N ATOM 477 CA ASN A 31 -7.718 -9.231 1.180 1.00 0.00 C ATOM 478 C ASN A 31 -6.533 -9.624 0.289 1.00 0.00 C ATOM 479 O ASN A 31 -6.114 -10.764 0.279 1.00 0.00 O ATOM 480 CB ASN A 31 -7.767 -7.710 1.347 1.00 0.00 C ATOM 481 CG ASN A 31 -8.589 -7.101 0.208 1.00 0.00 C ATOM 482 OD1 ASN A 31 -8.104 -6.260 -0.522 1.00 0.00 O ATOM 483 ND2 ASN A 31 -9.820 -7.491 0.025 1.00 0.00 N ATOM 0 H ASN A 31 -6.867 -9.439 3.127 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.643 -9.569 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.211 -7.453 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.757 -7.300 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.375 -7.090 -0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.228 -8.197 0.638 1.00 0.00 H new ATOM 490 N ILE A 32 -5.987 -8.702 -0.466 1.00 0.00 N ATOM 491 CA ILE A 32 -4.836 -9.063 -1.344 1.00 0.00 C ATOM 492 C ILE A 32 -3.817 -7.913 -1.395 1.00 0.00 C ATOM 493 O ILE A 32 -2.769 -7.982 -0.788 1.00 0.00 O ATOM 494 CB ILE A 32 -5.350 -9.399 -2.758 1.00 0.00 C ATOM 495 CG1 ILE A 32 -4.201 -9.314 -3.768 1.00 0.00 C ATOM 496 CG2 ILE A 32 -6.473 -8.446 -3.171 1.00 0.00 C ATOM 497 CD1 ILE A 32 -3.184 -10.420 -3.476 1.00 0.00 C ATOM 0 H ILE A 32 -6.285 -7.728 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.334 -9.939 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.746 -10.415 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.586 -9.417 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.720 -8.338 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.819 -8.703 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.301 -8.533 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.100 -7.422 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.366 -10.361 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.791 -10.296 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.670 -11.392 -3.559 1.00 0.00 H new ATOM 509 N ILE A 33 -4.103 -6.865 -2.115 1.00 0.00 N ATOM 510 CA ILE A 33 -3.135 -5.732 -2.205 1.00 0.00 C ATOM 511 C ILE A 33 -3.453 -4.695 -1.135 1.00 0.00 C ATOM 512 O ILE A 33 -4.579 -4.557 -0.719 1.00 0.00 O ATOM 513 CB ILE A 33 -3.263 -5.060 -3.575 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.524 -6.115 -4.644 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.975 -4.314 -3.903 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.266 -6.959 -4.849 1.00 0.00 C ATOM 0 H ILE A 33 -4.965 -6.742 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.126 -6.119 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.095 -4.356 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.357 -6.752 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.809 -5.636 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.069 -3.837 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.791 -3.554 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.142 -5.017 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.454 -7.713 -5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.445 -6.317 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.001 -7.450 -3.913 1.00 0.00 H new ATOM 528 N ARG A 34 -2.489 -3.942 -0.692 1.00 0.00 N ATOM 529 CA ARG A 34 -2.816 -2.904 0.327 1.00 0.00 C ATOM 530 C ARG A 34 -1.954 -1.664 0.142 1.00 0.00 C ATOM 531 O ARG A 34 -0.782 -1.651 0.458 1.00 0.00 O ATOM 532 CB ARG A 34 -2.617 -3.431 1.734 1.00 0.00 C ATOM 533 CG ARG A 34 -3.300 -2.465 2.702 1.00 0.00 C ATOM 534 CD ARG A 34 -3.339 -3.075 4.099 1.00 0.00 C ATOM 535 NE ARG A 34 -1.980 -3.010 4.709 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.836 -3.145 5.999 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.741 -3.778 6.694 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.786 -2.649 6.594 1.00 0.00 N ATOM 0 H ARG A 34 -1.512 -3.994 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.865 -2.642 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.042 -4.430 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.555 -3.513 1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.762 -1.517 2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.313 -2.249 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.055 -2.538 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.676 -4.110 4.046 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.162 -2.860 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.561 -4.167 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.628 -3.883 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.078 -2.156 6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.674 -2.755 7.602 1.00 0.00 H new ATOM 552 N ARG A 35 -2.548 -0.615 -0.335 1.00 0.00 N ATOM 553 CA ARG A 35 -1.804 0.658 -0.524 1.00 0.00 C ATOM 554 C ARG A 35 -1.852 1.449 0.782 1.00 0.00 C ATOM 555 O ARG A 35 -2.900 1.677 1.341 1.00 0.00 O ATOM 556 CB ARG A 35 -2.448 1.456 -1.662 1.00 0.00 C ATOM 557 CG ARG A 35 -2.549 0.551 -2.892 1.00 0.00 C ATOM 558 CD ARG A 35 -3.775 0.925 -3.723 1.00 0.00 C ATOM 559 NE ARG A 35 -3.376 1.056 -5.155 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.255 -0.009 -5.905 1.00 0.00 C ATOM 561 NH1 ARG A 35 -2.818 -1.128 -5.397 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.575 0.047 -7.169 1.00 0.00 N ATOM 0 H ARG A 35 -3.531 -0.582 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.765 0.459 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.437 1.806 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.852 2.340 -1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.648 0.646 -3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.616 -0.492 -2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.547 0.163 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.200 1.862 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.197 1.979 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.568 -1.176 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.726 -1.955 -5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.918 0.920 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.482 -0.782 -7.756 1.00 0.00 H new ATOM 576 N GLY A 36 -0.720 1.842 1.284 1.00 0.00 N ATOM 577 CA GLY A 36 -0.682 2.600 2.563 1.00 0.00 C ATOM 578 C GLY A 36 0.364 3.707 2.467 1.00 0.00 C ATOM 579 O GLY A 36 0.651 4.216 1.401 1.00 0.00 O ATOM 0 H GLY A 36 0.191 1.669 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.662 3.028 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.443 1.930 3.389 1.00 0.00 H new ATOM 583 N CYS A 37 0.926 4.087 3.575 1.00 0.00 N ATOM 584 CA CYS A 37 1.948 5.172 3.560 1.00 0.00 C ATOM 585 C CYS A 37 3.271 4.661 4.128 1.00 0.00 C ATOM 586 O CYS A 37 3.407 4.455 5.317 1.00 0.00 O ATOM 587 CB CYS A 37 1.456 6.326 4.420 1.00 0.00 C ATOM 588 SG CYS A 37 0.902 5.691 6.022 1.00 0.00 S ATOM 0 H CYS A 37 0.724 3.694 4.494 1.00 0.00 H new ATOM 0 HA CYS A 37 2.103 5.501 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.255 7.054 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.638 6.844 3.919 1.00 0.00 H new ATOM 593 N GLY A 38 4.247 4.449 3.291 1.00 0.00 N ATOM 594 CA GLY A 38 5.551 3.949 3.784 1.00 0.00 C ATOM 595 C GLY A 38 5.885 2.693 3.008 1.00 0.00 C ATOM 596 O GLY A 38 5.457 2.514 1.885 1.00 0.00 O ATOM 0 H GLY A 38 4.194 4.602 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.327 4.702 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.500 3.737 4.852 1.00 0.00 H new ATOM 600 N CYS A 39 6.626 1.819 3.598 1.00 0.00 N ATOM 601 CA CYS A 39 6.959 0.554 2.898 1.00 0.00 C ATOM 602 C CYS A 39 6.188 -0.591 3.548 1.00 0.00 C ATOM 603 O CYS A 39 5.428 -0.403 4.476 1.00 0.00 O ATOM 604 CB CYS A 39 8.462 0.271 2.971 1.00 0.00 C ATOM 605 SG CYS A 39 9.370 1.504 1.997 1.00 0.00 S ATOM 0 H CYS A 39 7.019 1.919 4.534 1.00 0.00 H new ATOM 0 HA CYS A 39 6.679 0.646 1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.796 0.296 4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.671 -0.730 2.593 1.00 0.00 H new ATOM 610 N PHE A 40 6.383 -1.773 3.056 1.00 0.00 N ATOM 611 CA PHE A 40 5.665 -2.957 3.624 1.00 0.00 C ATOM 612 C PHE A 40 6.299 -3.325 4.963 1.00 0.00 C ATOM 613 O PHE A 40 7.171 -2.639 5.457 1.00 0.00 O ATOM 614 CB PHE A 40 5.752 -4.156 2.660 1.00 0.00 C ATOM 615 CG PHE A 40 6.817 -3.892 1.635 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.495 -3.184 0.475 1.00 0.00 C ATOM 617 CD2 PHE A 40 8.130 -4.300 1.871 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.487 -2.888 -0.463 1.00 0.00 C ATOM 619 CE2 PHE A 40 9.129 -4.000 0.939 1.00 0.00 C ATOM 620 CZ PHE A 40 8.810 -3.293 -0.232 1.00 0.00 C ATOM 0 H PHE A 40 7.011 -1.981 2.280 1.00 0.00 H new ATOM 0 HA PHE A 40 4.614 -2.705 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.982 -5.067 3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.791 -4.314 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.478 -2.865 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.374 -4.846 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.236 -2.348 -1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.147 -4.312 1.120 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.581 -3.062 -0.952 1.00 0.00 H new ATOM 630 N THR A 41 5.852 -4.385 5.567 1.00 0.00 N ATOM 631 CA THR A 41 6.419 -4.768 6.894 1.00 0.00 C ATOM 632 C THR A 41 7.598 -5.746 6.758 1.00 0.00 C ATOM 633 O THR A 41 8.616 -5.549 7.390 1.00 0.00 O ATOM 634 CB THR A 41 5.332 -5.391 7.776 1.00 0.00 C ATOM 635 OG1 THR A 41 4.133 -4.641 7.650 1.00 0.00 O ATOM 636 CG2 THR A 41 5.800 -5.370 9.231 1.00 0.00 C ATOM 0 H THR A 41 5.124 -5.002 5.207 1.00 0.00 H new ATOM 0 HA THR A 41 6.793 -3.856 7.360 1.00 0.00 H new ATOM 0 HB THR A 41 5.147 -6.419 7.464 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.437 -5.040 8.213 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.032 -5.812 9.867 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.723 -5.943 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.979 -4.340 9.541 1.00 0.00 H new ATOM 644 N PRO A 42 7.438 -6.783 5.970 1.00 0.00 N ATOM 645 CA PRO A 42 8.488 -7.791 5.794 1.00 0.00 C ATOM 646 C PRO A 42 9.448 -7.357 4.686 1.00 0.00 C ATOM 647 O PRO A 42 9.756 -8.115 3.788 1.00 0.00 O ATOM 648 CB PRO A 42 7.704 -9.044 5.390 1.00 0.00 C ATOM 649 CG PRO A 42 6.355 -8.550 4.809 1.00 0.00 C ATOM 650 CD PRO A 42 6.224 -7.061 5.186 1.00 0.00 C ATOM 0 HA PRO A 42 9.101 -7.948 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.255 -9.625 4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.541 -9.694 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.331 -8.678 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.525 -9.126 5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.168 -6.429 4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.322 -6.875 5.768 1.00 0.00 H new ATOM 658 N ARG A 43 9.923 -6.141 4.739 1.00 0.00 N ATOM 659 CA ARG A 43 10.860 -5.671 3.681 1.00 0.00 C ATOM 660 C ARG A 43 12.016 -6.654 3.554 1.00 0.00 C ATOM 661 O ARG A 43 12.430 -7.273 4.515 1.00 0.00 O ATOM 662 CB ARG A 43 11.422 -4.301 4.054 1.00 0.00 C ATOM 663 CG ARG A 43 11.634 -4.230 5.567 1.00 0.00 C ATOM 664 CD ARG A 43 10.661 -3.220 6.175 1.00 0.00 C ATOM 665 NE ARG A 43 10.983 -3.030 7.617 1.00 0.00 N ATOM 666 CZ ARG A 43 10.514 -1.995 8.260 1.00 0.00 C ATOM 667 NH1 ARG A 43 9.267 -1.643 8.108 1.00 0.00 N ATOM 668 NH2 ARG A 43 11.293 -1.311 9.053 1.00 0.00 N ATOM 0 H ARG A 43 9.704 -5.458 5.464 1.00 0.00 H new ATOM 0 HA ARG A 43 10.320 -5.602 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.366 -4.130 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.736 -3.516 3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.479 -5.213 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.661 -3.939 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.730 -2.269 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.636 -3.573 6.063 1.00 0.00 H new ATOM 0 HE ARG A 43 11.570 -3.709 8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.659 -2.176 7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.900 -0.834 8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.268 -1.585 9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.926 -0.502 9.555 1.00 0.00 H new ATOM 682 N GLY A 44 12.545 -6.801 2.375 1.00 0.00 N ATOM 683 CA GLY A 44 13.673 -7.739 2.187 1.00 0.00 C ATOM 684 C GLY A 44 13.758 -8.143 0.714 1.00 0.00 C ATOM 685 O GLY A 44 13.008 -7.666 -0.114 1.00 0.00 O ATOM 0 H GLY A 44 12.242 -6.310 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.606 -7.271 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.534 -8.622 2.810 1.00 0.00 H new ATOM 689 N ASP A 45 14.668 -9.016 0.379 1.00 0.00 N ATOM 690 CA ASP A 45 14.799 -9.442 -1.041 1.00 0.00 C ATOM 691 C ASP A 45 13.971 -10.707 -1.285 1.00 0.00 C ATOM 692 O ASP A 45 14.026 -11.295 -2.346 1.00 0.00 O ATOM 693 CB ASP A 45 16.268 -9.726 -1.355 1.00 0.00 C ATOM 694 CG ASP A 45 16.808 -10.771 -0.376 1.00 0.00 C ATOM 695 OD1 ASP A 45 17.067 -10.411 0.760 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.957 -11.912 -0.782 1.00 0.00 O ATOM 0 H ASP A 45 15.325 -9.451 1.027 1.00 0.00 H new ATOM 0 HA ASP A 45 14.434 -8.645 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.369 -10.086 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.851 -8.808 -1.281 1.00 0.00 H new ATOM 701 N MET A 46 13.208 -11.137 -0.316 1.00 0.00 N ATOM 702 CA MET A 46 12.392 -12.367 -0.518 1.00 0.00 C ATOM 703 C MET A 46 11.061 -12.008 -1.189 1.00 0.00 C ATOM 704 O MET A 46 10.735 -12.544 -2.230 1.00 0.00 O ATOM 705 CB MET A 46 12.133 -13.052 0.827 1.00 0.00 C ATOM 706 CG MET A 46 12.729 -14.460 0.808 1.00 0.00 C ATOM 707 SD MET A 46 14.534 -14.347 0.726 1.00 0.00 S ATOM 708 CE MET A 46 14.885 -16.088 1.071 1.00 0.00 C ATOM 0 H MET A 46 13.115 -10.694 0.598 1.00 0.00 H new ATOM 0 HA MET A 46 12.940 -13.053 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.576 -12.469 1.635 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.062 -13.102 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.428 -15.006 1.702 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.349 -15.016 -0.049 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.963 -16.249 1.069 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.480 -16.354 2.047 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.423 -16.711 0.305 1.00 0.00 H new ATOM 718 N PRO A 47 10.330 -11.112 -0.578 1.00 0.00 N ATOM 719 CA PRO A 47 9.028 -10.666 -1.098 1.00 0.00 C ATOM 720 C PRO A 47 9.238 -9.595 -2.173 1.00 0.00 C ATOM 721 O PRO A 47 10.302 -9.019 -2.285 1.00 0.00 O ATOM 722 CB PRO A 47 8.337 -10.080 0.136 1.00 0.00 C ATOM 723 CG PRO A 47 9.462 -9.697 1.127 1.00 0.00 C ATOM 724 CD PRO A 47 10.723 -10.464 0.687 1.00 0.00 C ATOM 0 HA PRO A 47 8.446 -11.460 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.741 -9.207 -0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.657 -10.806 0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.639 -8.622 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.185 -9.962 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.569 -9.791 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.023 -11.199 1.434 1.00 0.00 H new ATOM 732 N GLY A 48 8.237 -9.322 -2.963 1.00 0.00 N ATOM 733 CA GLY A 48 8.390 -8.290 -4.017 1.00 0.00 C ATOM 734 C GLY A 48 7.172 -7.361 -4.017 1.00 0.00 C ATOM 735 O GLY A 48 6.488 -7.241 -5.015 1.00 0.00 O ATOM 0 H GLY A 48 7.322 -9.770 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.298 -7.713 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.495 -8.766 -4.992 1.00 0.00 H new ATOM 739 N PRO A 49 6.938 -6.726 -2.896 1.00 0.00 N ATOM 740 CA PRO A 49 5.811 -5.794 -2.734 1.00 0.00 C ATOM 741 C PRO A 49 6.125 -4.442 -3.389 1.00 0.00 C ATOM 742 O PRO A 49 7.051 -4.323 -4.166 1.00 0.00 O ATOM 743 CB PRO A 49 5.669 -5.665 -1.222 1.00 0.00 C ATOM 744 CG PRO A 49 7.027 -6.073 -0.610 1.00 0.00 C ATOM 745 CD PRO A 49 7.771 -6.879 -1.684 1.00 0.00 C ATOM 0 HA PRO A 49 4.894 -6.141 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.411 -4.643 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.870 -6.308 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.601 -5.193 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.882 -6.670 0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.779 -6.495 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.870 -7.926 -1.399 1.00 0.00 H new ATOM 753 N TYR A 50 5.347 -3.425 -3.109 1.00 0.00 N ATOM 754 CA TYR A 50 5.609 -2.106 -3.760 1.00 0.00 C ATOM 755 C TYR A 50 5.638 -0.947 -2.749 1.00 0.00 C ATOM 756 O TYR A 50 4.622 -0.535 -2.228 1.00 0.00 O ATOM 757 CB TYR A 50 4.510 -1.835 -4.790 1.00 0.00 C ATOM 758 CG TYR A 50 5.128 -1.692 -6.161 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.831 -2.762 -6.727 1.00 0.00 C ATOM 760 CD2 TYR A 50 4.996 -0.489 -6.867 1.00 0.00 C ATOM 761 CE1 TYR A 50 6.404 -2.630 -7.997 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.569 -0.358 -8.138 1.00 0.00 C ATOM 763 CZ TYR A 50 6.273 -1.428 -8.703 1.00 0.00 C ATOM 764 OH TYR A 50 6.839 -1.297 -9.954 1.00 0.00 O ATOM 0 H TYR A 50 4.554 -3.450 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 50 6.590 -2.160 -4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.787 -2.650 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.967 -0.927 -4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.931 -3.690 -6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.453 0.337 -6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.947 -3.455 -8.433 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.468 0.569 -8.683 1.00 0.00 H new ATOM 0 HH TYR A 50 6.653 -0.401 -10.305 1.00 0.00 H new ATOM 774 N CYS A 51 6.795 -0.379 -2.530 1.00 0.00 N ATOM 775 CA CYS A 51 6.917 0.808 -1.625 1.00 0.00 C ATOM 776 C CYS A 51 7.393 1.964 -2.497 1.00 0.00 C ATOM 777 O CYS A 51 7.926 1.757 -3.568 1.00 0.00 O ATOM 778 CB CYS A 51 7.959 0.552 -0.530 1.00 0.00 C ATOM 779 SG CYS A 51 8.106 2.034 0.507 1.00 0.00 S ATOM 0 H CYS A 51 7.674 -0.690 -2.944 1.00 0.00 H new ATOM 0 HA CYS A 51 5.963 1.019 -1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.664 -0.304 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.923 0.309 -0.977 1.00 0.00 H new ATOM 784 N CYS A 52 7.208 3.169 -2.069 1.00 0.00 N ATOM 785 CA CYS A 52 7.661 4.313 -2.913 1.00 0.00 C ATOM 786 C CYS A 52 7.730 5.570 -2.069 1.00 0.00 C ATOM 787 O CYS A 52 7.159 5.643 -1.004 1.00 0.00 O ATOM 788 CB CYS A 52 6.670 4.521 -4.059 1.00 0.00 C ATOM 789 SG CYS A 52 7.072 6.020 -4.991 1.00 0.00 S ATOM 0 H CYS A 52 6.769 3.420 -1.183 1.00 0.00 H new ATOM 0 HA CYS A 52 8.649 4.096 -3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.689 3.658 -4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.658 4.595 -3.662 1.00 0.00 H new ATOM 794 N GLU A 53 8.422 6.561 -2.543 1.00 0.00 N ATOM 795 CA GLU A 53 8.527 7.824 -1.770 1.00 0.00 C ATOM 796 C GLU A 53 7.960 8.983 -2.583 1.00 0.00 C ATOM 797 O GLU A 53 8.623 9.967 -2.846 1.00 0.00 O ATOM 798 CB GLU A 53 9.980 8.088 -1.398 1.00 0.00 C ATOM 799 CG GLU A 53 10.586 6.806 -0.828 1.00 0.00 C ATOM 800 CD GLU A 53 12.101 6.966 -0.698 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.549 8.095 -0.586 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.787 5.958 -0.711 1.00 0.00 O ATOM 0 H GLU A 53 8.920 6.552 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 53 7.947 7.730 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.541 8.412 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.041 8.892 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.149 6.587 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.354 5.962 -1.478 1.00 0.00 H new ATOM 809 N SER A 54 6.720 8.869 -2.963 1.00 0.00 N ATOM 810 CA SER A 54 6.057 9.947 -3.740 1.00 0.00 C ATOM 811 C SER A 54 4.597 10.013 -3.298 1.00 0.00 C ATOM 812 O SER A 54 4.079 9.080 -2.711 1.00 0.00 O ATOM 813 CB SER A 54 6.129 9.629 -5.231 1.00 0.00 C ATOM 814 OG SER A 54 7.261 8.807 -5.482 1.00 0.00 O ATOM 0 H SER A 54 6.130 8.061 -2.764 1.00 0.00 H new ATOM 0 HA SER A 54 6.553 10.902 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.219 9.122 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.200 10.551 -5.808 1.00 0.00 H new ATOM 0 HG SER A 54 6.963 7.913 -5.751 1.00 0.00 H new ATOM 820 N ASP A 55 3.918 11.090 -3.562 1.00 0.00 N ATOM 821 CA ASP A 55 2.502 11.161 -3.122 1.00 0.00 C ATOM 822 C ASP A 55 1.671 10.192 -3.941 1.00 0.00 C ATOM 823 O ASP A 55 1.929 9.954 -5.105 1.00 0.00 O ATOM 824 CB ASP A 55 1.955 12.573 -3.293 1.00 0.00 C ATOM 825 CG ASP A 55 0.441 12.568 -3.077 1.00 0.00 C ATOM 826 OD1 ASP A 55 -0.274 12.270 -4.019 1.00 0.00 O ATOM 827 OD2 ASP A 55 0.025 12.866 -1.971 1.00 0.00 O ATOM 0 H ASP A 55 4.273 11.910 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 55 2.450 10.894 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.432 13.247 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.189 12.946 -4.290 1.00 0.00 H new ATOM 832 N LYS A 56 0.678 9.633 -3.324 1.00 0.00 N ATOM 833 CA LYS A 56 -0.200 8.654 -4.032 1.00 0.00 C ATOM 834 C LYS A 56 0.656 7.766 -4.945 1.00 0.00 C ATOM 835 O LYS A 56 0.289 7.469 -6.064 1.00 0.00 O ATOM 836 CB LYS A 56 -1.222 9.417 -4.875 1.00 0.00 C ATOM 837 CG LYS A 56 -0.506 10.172 -5.997 1.00 0.00 C ATOM 838 CD LYS A 56 -1.541 10.818 -6.920 1.00 0.00 C ATOM 839 CE LYS A 56 -0.976 12.118 -7.497 1.00 0.00 C ATOM 840 NZ LYS A 56 -2.070 13.121 -7.614 1.00 0.00 N ATOM 0 H LYS A 56 0.429 9.809 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.717 8.030 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.950 8.724 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.775 10.117 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.148 10.936 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.126 9.488 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.801 10.133 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.458 11.022 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.184 12.501 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.531 11.932 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.689 14.006 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.811 12.754 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.475 13.305 -6.674 1.00 0.00 H new ATOM 854 N CYS A 57 1.812 7.367 -4.482 1.00 0.00 N ATOM 855 CA CYS A 57 2.717 6.529 -5.326 1.00 0.00 C ATOM 856 C CYS A 57 2.222 5.076 -5.448 1.00 0.00 C ATOM 857 O CYS A 57 2.681 4.343 -6.301 1.00 0.00 O ATOM 858 CB CYS A 57 4.109 6.526 -4.695 1.00 0.00 C ATOM 859 SG CYS A 57 5.369 6.449 -5.990 1.00 0.00 S ATOM 0 H CYS A 57 2.170 7.586 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 57 2.735 6.958 -6.328 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.247 7.424 -4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.212 5.674 -4.024 1.00 0.00 H new ATOM 864 N ASN A 58 1.320 4.630 -4.611 1.00 0.00 N ATOM 865 CA ASN A 58 0.866 3.217 -4.720 1.00 0.00 C ATOM 866 C ASN A 58 -0.294 3.087 -5.713 1.00 0.00 C ATOM 867 O ASN A 58 -1.109 2.194 -5.607 1.00 0.00 O ATOM 868 CB ASN A 58 0.431 2.670 -3.354 1.00 0.00 C ATOM 869 CG ASN A 58 -0.002 3.800 -2.418 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.298 4.895 -2.852 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.044 3.571 -1.137 1.00 0.00 N ATOM 0 H ASN A 58 0.885 5.177 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 58 1.712 2.633 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.392 1.968 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.254 2.115 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.326 4.312 -0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.205 2.650 -0.775 1.00 0.00 H new ATOM 878 N LEU A 59 -0.375 3.953 -6.684 1.00 0.00 N ATOM 879 CA LEU A 59 -1.476 3.839 -7.679 1.00 0.00 C ATOM 880 C LEU A 59 -0.874 3.795 -9.085 1.00 0.00 C ATOM 881 O LEU A 59 -0.184 4.735 -9.443 1.00 0.00 O ATOM 882 CB LEU A 59 -2.410 5.041 -7.555 1.00 0.00 C ATOM 883 CG LEU A 59 -3.770 4.713 -8.180 1.00 0.00 C ATOM 884 CD1 LEU A 59 -3.577 4.202 -9.608 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.469 3.638 -7.344 1.00 0.00 C ATOM 886 OXT LEU A 59 -1.114 2.821 -9.780 1.00 0.00 O ATOM 0 H LEU A 59 0.269 4.730 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.045 2.928 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.537 5.307 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.971 5.906 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.381 5.615 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.548 3.971 -10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.083 4.968 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.962 3.302 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.437 3.404 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.854 2.739 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.615 4.005 -6.328 1.00 0.00 H new TER 898 LEU A 59