USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 393 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 6 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3 K(o=-3,f=-4.6!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 13 THR OG1 : rot -117:sc= 0.353 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 156:sc= -0.525 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= 0.519 (180deg=-1.87!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.119 (180deg=-0.71) USER MOD Single : A 43 SER OG : rot -11:sc= 0.625! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.956 F(o=-3.8!,f=-0.96) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.553 10.457 -1.257 1.00 0.00 N ATOM 66 CA CYS A 5 -7.451 10.314 0.223 1.00 0.00 C ATOM 67 C CYS A 5 -6.696 11.511 0.814 1.00 0.00 C ATOM 68 O CYS A 5 -6.458 12.493 0.137 1.00 0.00 O ATOM 69 CB CYS A 5 -6.708 9.019 0.553 1.00 0.00 C ATOM 70 SG CYS A 5 -7.605 7.462 0.328 1.00 0.00 S ATOM 0 HA CYS A 5 -8.452 10.282 0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.808 8.981 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.383 9.073 1.592 1.00 0.00 H new ATOM 75 N THR A 6 -6.335 11.404 2.062 1.00 0.00 N ATOM 76 CA THR A 6 -5.603 12.527 2.713 1.00 0.00 C ATOM 77 C THR A 6 -4.144 12.578 2.232 1.00 0.00 C ATOM 78 O THR A 6 -3.849 13.144 1.200 1.00 0.00 O ATOM 79 CB THR A 6 -5.635 12.323 4.228 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.675 10.910 4.403 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.938 12.839 4.834 1.00 0.00 C ATOM 0 H THR A 6 -6.513 10.594 2.656 1.00 0.00 H new ATOM 0 HA THR A 6 -6.085 13.468 2.447 1.00 0.00 H new ATOM 0 HB THR A 6 -4.790 12.834 4.690 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.696 10.699 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.927 12.678 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.039 13.904 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.780 12.303 4.396 1.00 0.00 H new ATOM 89 N LYS A 7 -3.266 11.982 2.995 1.00 0.00 N ATOM 90 CA LYS A 7 -1.819 12.001 2.609 1.00 0.00 C ATOM 91 C LYS A 7 -1.584 11.100 1.368 1.00 0.00 C ATOM 92 O LYS A 7 -2.374 10.221 1.087 1.00 0.00 O ATOM 93 CB LYS A 7 -0.992 11.475 3.796 1.00 0.00 C ATOM 94 CG LYS A 7 -0.396 12.652 4.591 1.00 0.00 C ATOM 95 CD LYS A 7 -1.524 13.439 5.264 1.00 0.00 C ATOM 96 CE LYS A 7 -1.488 14.892 4.781 1.00 0.00 C ATOM 97 NZ LYS A 7 -2.519 15.701 5.488 1.00 0.00 N ATOM 0 H LYS A 7 -3.482 11.487 3.860 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.517 13.018 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.622 10.868 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.192 10.829 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.301 12.281 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.170 13.304 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.488 12.989 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.412 13.401 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.500 15.316 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.663 14.929 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.482 16.684 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.462 15.305 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.335 15.680 6.511 1.00 0.00 H new ATOM 111 N PRO A 8 -0.490 11.341 0.642 1.00 0.00 N ATOM 112 CA PRO A 8 -0.167 10.542 -0.552 1.00 0.00 C ATOM 113 C PRO A 8 -0.089 9.049 -0.204 1.00 0.00 C ATOM 114 O PRO A 8 -0.382 8.656 0.907 1.00 0.00 O ATOM 115 CB PRO A 8 1.196 11.056 -1.031 1.00 0.00 C ATOM 116 CG PRO A 8 1.632 12.193 -0.060 1.00 0.00 C ATOM 117 CD PRO A 8 0.492 12.398 0.954 1.00 0.00 C ATOM 0 HA PRO A 8 -0.932 10.643 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.931 10.251 -1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.128 11.429 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.557 11.927 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.826 13.114 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.854 12.311 1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.050 13.389 0.856 1.00 0.00 H new ATOM 125 N ASN A 9 0.303 8.251 -1.167 1.00 0.00 N ATOM 126 CA ASN A 9 0.395 6.775 -0.918 1.00 0.00 C ATOM 127 C ASN A 9 -0.955 6.252 -0.418 1.00 0.00 C ATOM 128 O ASN A 9 -1.738 5.731 -1.187 1.00 0.00 O ATOM 129 CB ASN A 9 1.485 6.495 0.125 1.00 0.00 C ATOM 130 CG ASN A 9 2.821 7.075 -0.358 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.649 6.381 -0.923 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.074 8.336 -0.151 1.00 0.00 N ATOM 0 H ASN A 9 0.561 8.552 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 9 0.652 6.266 -1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.209 6.938 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.580 5.421 0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.960 8.736 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.386 8.923 0.321 1.00 0.00 H new ATOM 139 N GLU A 10 -1.204 6.394 0.856 1.00 0.00 N ATOM 140 CA GLU A 10 -2.509 5.918 1.393 1.00 0.00 C ATOM 141 C GLU A 10 -3.636 6.406 0.484 1.00 0.00 C ATOM 142 O GLU A 10 -4.114 7.513 0.630 1.00 0.00 O ATOM 143 CB GLU A 10 -2.708 6.479 2.800 1.00 0.00 C ATOM 144 CG GLU A 10 -1.389 6.385 3.569 1.00 0.00 C ATOM 145 CD GLU A 10 -1.667 6.520 5.067 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.762 7.655 5.501 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.768 5.477 5.694 1.00 0.00 O ATOM 0 H GLU A 10 -0.571 6.812 1.538 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.518 4.829 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.039 7.516 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.487 5.921 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.901 5.432 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.707 7.170 3.242 1.00 0.00 H new ATOM 154 N GLN A 11 -4.035 5.563 -0.435 1.00 0.00 N ATOM 155 CA GLN A 11 -5.123 5.955 -1.385 1.00 0.00 C ATOM 156 C GLN A 11 -6.307 5.012 -1.239 1.00 0.00 C ATOM 157 O GLN A 11 -6.191 3.950 -0.667 1.00 0.00 O ATOM 158 CB GLN A 11 -4.592 5.870 -2.813 1.00 0.00 C ATOM 159 CG GLN A 11 -5.151 7.040 -3.627 1.00 0.00 C ATOM 160 CD GLN A 11 -4.746 6.874 -5.093 1.00 0.00 C ATOM 161 OE1 GLN A 11 -4.139 5.780 -5.462 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 -4.978 7.739 -5.915 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.657 4.625 -0.569 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.445 6.972 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.502 5.900 -2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.884 4.923 -3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.237 7.073 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.771 7.984 -3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.452 8.597 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.698 7.607 -6.887 1.00 0.00 H new ATOM 171 N TRP A 12 -7.425 5.415 -1.762 1.00 0.00 N ATOM 172 CA TRP A 12 -8.619 4.543 -1.650 1.00 0.00 C ATOM 173 C TRP A 12 -8.388 3.229 -2.366 1.00 0.00 C ATOM 174 O TRP A 12 -7.948 3.204 -3.498 1.00 0.00 O ATOM 175 CB TRP A 12 -9.817 5.217 -2.287 1.00 0.00 C ATOM 176 CG TRP A 12 -10.995 4.237 -2.255 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.367 3.462 -3.274 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.789 4.061 -1.224 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.444 2.809 -2.797 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.777 3.139 -1.507 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.729 4.643 0.022 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.710 2.811 -0.553 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.662 4.314 0.983 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.655 3.395 0.694 1.00 0.00 C ATOM 0 H TRP A 12 -7.564 6.297 -2.255 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.802 4.362 -0.591 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.069 6.131 -1.749 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.590 5.504 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.913 3.378 -4.250 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.967 2.128 -3.347 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.951 5.358 0.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.486 2.096 -0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.618 4.773 1.960 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.386 3.136 1.445 1.00 0.00 H new ATOM 195 N THR A 13 -8.686 2.164 -1.690 1.00 0.00 N ATOM 196 CA THR A 13 -8.528 0.840 -2.328 1.00 0.00 C ATOM 197 C THR A 13 -9.669 -0.072 -1.882 1.00 0.00 C ATOM 198 O THR A 13 -9.803 -0.383 -0.712 1.00 0.00 O ATOM 199 CB THR A 13 -7.175 0.232 -1.939 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.047 -0.927 -2.757 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.180 -0.285 -0.507 1.00 0.00 C ATOM 0 H THR A 13 -9.030 2.153 -0.730 1.00 0.00 H new ATOM 0 HA THR A 13 -8.559 0.949 -3.412 1.00 0.00 H new ATOM 0 HB THR A 13 -6.389 0.979 -2.050 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.009 -1.725 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.204 -0.708 -0.269 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.395 0.537 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.945 -1.055 -0.401 1.00 0.00 H new ATOM 209 N LYS A 14 -10.482 -0.468 -2.821 1.00 0.00 N ATOM 210 CA LYS A 14 -11.625 -1.346 -2.465 1.00 0.00 C ATOM 211 C LYS A 14 -11.110 -2.672 -1.894 1.00 0.00 C ATOM 212 O LYS A 14 -11.866 -3.454 -1.351 1.00 0.00 O ATOM 213 CB LYS A 14 -12.473 -1.605 -3.709 1.00 0.00 C ATOM 214 CG LYS A 14 -13.746 -0.753 -3.622 1.00 0.00 C ATOM 215 CD LYS A 14 -14.446 -0.754 -4.979 1.00 0.00 C ATOM 216 CE LYS A 14 -15.751 0.039 -4.871 1.00 0.00 C ATOM 217 NZ LYS A 14 -16.544 -0.087 -6.125 1.00 0.00 N ATOM 0 H LYS A 14 -10.404 -0.224 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.236 -0.854 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.911 -1.354 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.730 -2.662 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.412 -1.150 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.496 0.267 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.799 -0.311 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.653 -1.777 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.336 -0.325 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.530 1.089 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.426 0.457 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.990 0.282 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.771 -1.088 -6.293 1.00 0.00 H new ATOM 231 N CYS A 15 -9.829 -2.893 -2.032 1.00 0.00 N ATOM 232 CA CYS A 15 -9.234 -4.152 -1.499 1.00 0.00 C ATOM 233 C CYS A 15 -7.856 -3.867 -0.891 1.00 0.00 C ATOM 234 O CYS A 15 -6.882 -3.712 -1.600 1.00 0.00 O ATOM 235 CB CYS A 15 -9.082 -5.155 -2.637 1.00 0.00 C ATOM 236 SG CYS A 15 -7.703 -6.323 -2.530 1.00 0.00 S ATOM 0 H CYS A 15 -9.173 -2.259 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.888 -4.558 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.006 -5.729 -2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.981 -4.597 -3.568 1.00 0.00 H new ATOM 241 N GLY A 16 -7.804 -3.804 0.413 1.00 0.00 N ATOM 242 CA GLY A 16 -6.499 -3.530 1.079 1.00 0.00 C ATOM 243 C GLY A 16 -5.821 -4.839 1.491 1.00 0.00 C ATOM 244 O GLY A 16 -5.910 -5.831 0.795 1.00 0.00 O ATOM 0 H GLY A 16 -8.599 -3.929 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.849 -2.974 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.657 -2.903 1.957 1.00 0.00 H new ATOM 248 N GLY A 17 -5.157 -4.806 2.621 1.00 0.00 N ATOM 249 CA GLY A 17 -4.459 -6.035 3.112 1.00 0.00 C ATOM 250 C GLY A 17 -2.943 -5.839 3.061 1.00 0.00 C ATOM 251 O GLY A 17 -2.422 -4.862 3.560 1.00 0.00 O ATOM 0 H GLY A 17 -5.068 -3.986 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.770 -6.255 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.743 -6.892 2.501 1.00 0.00 H new ATOM 255 N CYS A 18 -2.266 -6.777 2.459 1.00 0.00 N ATOM 256 CA CYS A 18 -0.781 -6.660 2.365 1.00 0.00 C ATOM 257 C CYS A 18 -0.393 -5.818 1.145 1.00 0.00 C ATOM 258 O CYS A 18 -1.230 -5.189 0.531 1.00 0.00 O ATOM 259 CB CYS A 18 -0.178 -8.056 2.231 1.00 0.00 C ATOM 260 SG CYS A 18 -0.885 -9.371 3.254 1.00 0.00 S ATOM 0 H CYS A 18 -2.669 -7.611 2.032 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.401 -6.175 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.261 -8.360 1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.886 -7.987 2.459 1.00 0.00 H new ATOM 265 N GLU A 19 0.872 -5.824 0.824 1.00 0.00 N ATOM 266 CA GLU A 19 1.331 -5.027 -0.353 1.00 0.00 C ATOM 267 C GLU A 19 2.692 -5.538 -0.838 1.00 0.00 C ATOM 268 O GLU A 19 3.104 -6.631 -0.504 1.00 0.00 O ATOM 269 CB GLU A 19 1.458 -3.561 0.060 1.00 0.00 C ATOM 270 CG GLU A 19 0.794 -2.678 -1.000 1.00 0.00 C ATOM 271 CD GLU A 19 -0.727 -2.816 -0.892 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.206 -2.659 0.219 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.323 -3.067 -1.925 1.00 0.00 O ATOM 0 H GLU A 19 1.601 -6.339 1.318 1.00 0.00 H new ATOM 0 HA GLU A 19 0.607 -5.128 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.986 -3.402 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.509 -3.291 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.087 -1.638 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.128 -2.971 -1.995 1.00 0.00 H new ATOM 280 N GLY A 20 3.358 -4.733 -1.622 1.00 0.00 N ATOM 281 CA GLY A 20 4.692 -5.148 -2.136 1.00 0.00 C ATOM 282 C GLY A 20 5.803 -4.526 -1.290 1.00 0.00 C ATOM 283 O GLY A 20 5.539 -3.733 -0.408 1.00 0.00 O ATOM 0 H GLY A 20 3.038 -3.813 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.775 -6.235 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.801 -4.839 -3.176 1.00 0.00 H new ATOM 287 N THR A 21 7.020 -4.903 -1.580 1.00 0.00 N ATOM 288 CA THR A 21 8.172 -4.342 -0.811 1.00 0.00 C ATOM 289 C THR A 21 9.256 -3.879 -1.783 1.00 0.00 C ATOM 290 O THR A 21 9.144 -4.074 -2.977 1.00 0.00 O ATOM 291 CB THR A 21 8.741 -5.423 0.111 1.00 0.00 C ATOM 292 OG1 THR A 21 8.948 -6.547 -0.735 1.00 0.00 O ATOM 293 CG2 THR A 21 7.712 -5.878 1.143 1.00 0.00 C ATOM 0 H THR A 21 7.267 -5.570 -2.311 1.00 0.00 H new ATOM 0 HA THR A 21 7.834 -3.495 -0.214 1.00 0.00 H new ATOM 0 HB THR A 21 9.626 -5.047 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.637 -7.126 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.151 -6.646 1.780 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.410 -5.028 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.840 -6.286 0.632 1.00 0.00 H new ATOM 301 N CYS A 22 10.283 -3.279 -1.257 1.00 0.00 N ATOM 302 CA CYS A 22 11.374 -2.806 -2.150 1.00 0.00 C ATOM 303 C CYS A 22 12.161 -4.008 -2.668 1.00 0.00 C ATOM 304 O CYS A 22 13.185 -3.859 -3.305 1.00 0.00 O ATOM 305 CB CYS A 22 12.300 -1.883 -1.364 1.00 0.00 C ATOM 306 SG CYS A 22 13.246 -0.661 -2.300 1.00 0.00 S ATOM 0 H CYS A 22 10.415 -3.097 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 22 10.951 -2.262 -2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.699 -1.351 -0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.005 -2.504 -0.812 1.00 0.00 H new ATOM 311 N ALA A 23 11.654 -5.177 -2.377 1.00 0.00 N ATOM 312 CA ALA A 23 12.346 -6.418 -2.829 1.00 0.00 C ATOM 313 C ALA A 23 11.331 -7.438 -3.372 1.00 0.00 C ATOM 314 O ALA A 23 11.707 -8.428 -3.968 1.00 0.00 O ATOM 315 CB ALA A 23 13.087 -7.024 -1.641 1.00 0.00 C ATOM 0 H ALA A 23 10.794 -5.325 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 23 13.045 -6.168 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.598 -7.933 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.818 -6.308 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.375 -7.264 -0.852 1.00 0.00 H new ATOM 321 N GLN A 24 10.065 -7.178 -3.156 1.00 0.00 N ATOM 322 CA GLN A 24 9.029 -8.130 -3.653 1.00 0.00 C ATOM 323 C GLN A 24 7.755 -7.370 -4.030 1.00 0.00 C ATOM 324 O GLN A 24 6.872 -7.187 -3.214 1.00 0.00 O ATOM 325 CB GLN A 24 8.713 -9.150 -2.559 1.00 0.00 C ATOM 326 CG GLN A 24 9.559 -10.406 -2.785 1.00 0.00 C ATOM 327 CD GLN A 24 9.291 -11.406 -1.659 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.718 -11.224 -0.537 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.586 -12.475 -1.914 1.00 0.00 N ATOM 0 H GLN A 24 9.709 -6.359 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 24 9.408 -8.644 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.924 -8.726 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.653 -9.403 -2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.317 -10.853 -3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.617 -10.146 -2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.224 -12.635 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.397 -13.150 -1.173 1.00 0.00 H new ATOM 338 N LYS A 25 7.696 -6.938 -5.260 1.00 0.00 N ATOM 339 CA LYS A 25 6.493 -6.186 -5.731 1.00 0.00 C ATOM 340 C LYS A 25 5.212 -6.844 -5.194 1.00 0.00 C ATOM 341 O LYS A 25 4.219 -6.179 -4.971 1.00 0.00 O ATOM 342 CB LYS A 25 6.481 -6.196 -7.265 1.00 0.00 C ATOM 343 CG LYS A 25 5.813 -4.916 -7.800 1.00 0.00 C ATOM 344 CD LYS A 25 4.326 -4.899 -7.413 1.00 0.00 C ATOM 345 CE LYS A 25 3.521 -4.209 -8.521 1.00 0.00 C ATOM 346 NZ LYS A 25 2.069 -4.227 -8.192 1.00 0.00 N ATOM 0 H LYS A 25 8.426 -7.072 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 25 6.533 -5.160 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.501 -6.268 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.944 -7.073 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.313 -4.037 -7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.916 -4.868 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.965 -5.917 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.190 -4.373 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.861 -3.180 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.692 -4.713 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.541 -4.662 -8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.917 -4.779 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.734 -3.253 -8.047 1.00 0.00 H new ATOM 360 N ILE A 26 5.265 -8.141 -5.003 1.00 0.00 N ATOM 361 CA ILE A 26 4.064 -8.867 -4.474 1.00 0.00 C ATOM 362 C ILE A 26 4.470 -9.761 -3.296 1.00 0.00 C ATOM 363 O ILE A 26 5.185 -10.729 -3.470 1.00 0.00 O ATOM 364 CB ILE A 26 3.467 -9.748 -5.588 1.00 0.00 C ATOM 365 CG1 ILE A 26 3.166 -8.900 -6.848 1.00 0.00 C ATOM 366 CG2 ILE A 26 2.184 -10.426 -5.080 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.863 -8.094 -6.683 1.00 0.00 C ATOM 0 H ILE A 26 6.080 -8.725 -5.188 1.00 0.00 H new ATOM 0 HA ILE A 26 3.327 -8.137 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 26 4.192 -10.515 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.996 -8.219 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.085 -9.553 -7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.764 -11.048 -5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.418 -11.047 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.459 -9.664 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.680 -7.509 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.030 -8.778 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.956 -7.424 -5.829 1.00 0.00 H new ATOM 379 N VAL A 27 4.007 -9.421 -2.124 1.00 0.00 N ATOM 380 CA VAL A 27 4.359 -10.247 -0.934 1.00 0.00 C ATOM 381 C VAL A 27 3.296 -11.373 -0.744 1.00 0.00 C ATOM 382 O VAL A 27 2.114 -11.101 -0.809 1.00 0.00 O ATOM 383 CB VAL A 27 4.359 -9.342 0.301 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.914 -9.013 0.680 1.00 0.00 C ATOM 385 CG2 VAL A 27 5.030 -10.070 1.467 1.00 0.00 C ATOM 0 H VAL A 27 3.407 -8.617 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 27 5.341 -10.700 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 27 4.904 -8.424 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.906 -8.369 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.428 -8.500 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.377 -9.935 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.030 -9.426 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.482 -10.986 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.057 -10.318 1.199 1.00 0.00 H new ATOM 395 N PRO A 28 3.724 -12.623 -0.512 1.00 0.00 N ATOM 396 CA PRO A 28 2.763 -13.721 -0.320 1.00 0.00 C ATOM 397 C PRO A 28 1.824 -13.423 0.858 1.00 0.00 C ATOM 398 O PRO A 28 2.241 -12.886 1.865 1.00 0.00 O ATOM 399 CB PRO A 28 3.611 -14.962 -0.023 1.00 0.00 C ATOM 400 CG PRO A 28 5.105 -14.525 -0.059 1.00 0.00 C ATOM 401 CD PRO A 28 5.143 -13.031 -0.428 1.00 0.00 C ATOM 0 HA PRO A 28 2.133 -13.859 -1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.356 -15.377 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.421 -15.742 -0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.577 -14.693 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.659 -15.114 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.677 -12.452 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.657 -12.871 -1.376 1.00 0.00 H new ATOM 409 N CYS A 29 0.578 -13.779 0.703 1.00 0.00 N ATOM 410 CA CYS A 29 -0.398 -13.525 1.804 1.00 0.00 C ATOM 411 C CYS A 29 -1.678 -14.334 1.576 1.00 0.00 C ATOM 412 O CYS A 29 -2.385 -14.126 0.611 1.00 0.00 O ATOM 413 CB CYS A 29 -0.739 -12.036 1.836 1.00 0.00 C ATOM 414 SG CYS A 29 0.288 -10.971 2.878 1.00 0.00 S ATOM 0 H CYS A 29 0.195 -14.230 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 29 0.046 -13.828 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.691 -11.657 0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.773 -11.934 2.165 1.00 0.00 H new ATOM 419 N THR A 30 -1.947 -15.244 2.472 1.00 0.00 N ATOM 420 CA THR A 30 -3.177 -16.075 2.328 1.00 0.00 C ATOM 421 C THR A 30 -4.423 -15.209 2.537 1.00 0.00 C ATOM 422 O THR A 30 -5.535 -15.659 2.350 1.00 0.00 O ATOM 423 CB THR A 30 -3.154 -17.192 3.373 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.243 -16.519 4.625 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.806 -17.908 3.397 1.00 0.00 C ATOM 0 H THR A 30 -1.374 -15.447 3.291 1.00 0.00 H new ATOM 0 HA THR A 30 -3.206 -16.504 1.326 1.00 0.00 H new ATOM 0 HB THR A 30 -3.945 -17.913 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.236 -17.177 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.825 -18.695 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.610 -18.347 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.019 -17.194 3.639 1.00 0.00 H new ATOM 433 N ARG A 31 -4.207 -13.982 2.922 1.00 0.00 N ATOM 434 CA ARG A 31 -5.366 -13.069 3.149 1.00 0.00 C ATOM 435 C ARG A 31 -6.190 -12.938 1.865 1.00 0.00 C ATOM 436 O ARG A 31 -5.971 -13.657 0.911 1.00 0.00 O ATOM 437 CB ARG A 31 -4.845 -11.695 3.567 1.00 0.00 C ATOM 438 CG ARG A 31 -4.138 -11.816 4.916 1.00 0.00 C ATOM 439 CD ARG A 31 -5.113 -11.434 6.032 1.00 0.00 C ATOM 440 NE ARG A 31 -4.480 -11.725 7.348 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.217 -12.962 7.672 1.00 0.00 C ATOM 442 NH1 ARG A 31 -5.035 -13.903 7.287 1.00 0.00 N ATOM 443 NH2 ARG A 31 -3.143 -13.216 8.370 1.00 0.00 N ATOM 0 H ARG A 31 -3.288 -13.573 3.089 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.001 -13.478 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.156 -11.310 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.670 -10.986 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.780 -12.835 5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.264 -11.165 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.369 -10.377 5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.042 -11.995 5.929 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.254 -10.965 7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.864 -13.667 6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.845 -14.875 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.526 -12.454 8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.921 -14.176 8.633 1.00 0.00 H new ATOM 457 N GLU A 32 -7.123 -12.018 1.876 1.00 0.00 N ATOM 458 CA GLU A 32 -7.983 -11.816 0.666 1.00 0.00 C ATOM 459 C GLU A 32 -7.971 -10.341 0.249 1.00 0.00 C ATOM 460 O GLU A 32 -7.321 -9.969 -0.707 1.00 0.00 O ATOM 461 CB GLU A 32 -9.413 -12.243 0.995 1.00 0.00 C ATOM 462 CG GLU A 32 -9.393 -13.657 1.580 1.00 0.00 C ATOM 463 CD GLU A 32 -9.565 -13.580 3.099 1.00 0.00 C ATOM 464 OE1 GLU A 32 -9.018 -12.645 3.659 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.233 -14.463 3.613 1.00 0.00 O ATOM 0 H GLU A 32 -7.326 -11.402 2.663 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.595 -12.417 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.858 -11.548 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.029 -12.217 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.192 -14.255 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.453 -14.151 1.334 1.00 0.00 H new ATOM 472 N CYS A 33 -8.689 -9.533 0.978 1.00 0.00 N ATOM 473 CA CYS A 33 -8.733 -8.080 0.637 1.00 0.00 C ATOM 474 C CYS A 33 -9.440 -7.298 1.747 1.00 0.00 C ATOM 475 O CYS A 33 -10.649 -7.346 1.868 1.00 0.00 O ATOM 476 CB CYS A 33 -9.500 -7.898 -0.672 1.00 0.00 C ATOM 477 SG CYS A 33 -8.582 -8.115 -2.219 1.00 0.00 S ATOM 0 H CYS A 33 -9.243 -9.810 1.788 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.715 -7.706 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.333 -8.601 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.929 -6.896 -0.674 1.00 0.00 H new ATOM 482 N LYS A 34 -8.675 -6.589 2.536 1.00 0.00 N ATOM 483 CA LYS A 34 -9.303 -5.799 3.637 1.00 0.00 C ATOM 484 C LYS A 34 -10.483 -4.980 3.066 1.00 0.00 C ATOM 485 O LYS A 34 -10.528 -4.715 1.881 1.00 0.00 O ATOM 486 CB LYS A 34 -8.255 -4.853 4.224 1.00 0.00 C ATOM 487 CG LYS A 34 -7.665 -5.478 5.491 1.00 0.00 C ATOM 488 CD LYS A 34 -6.559 -4.567 6.030 1.00 0.00 C ATOM 489 CE LYS A 34 -5.807 -5.297 7.146 1.00 0.00 C ATOM 490 NZ LYS A 34 -6.757 -6.048 8.011 1.00 0.00 N ATOM 0 H LYS A 34 -7.659 -6.523 2.469 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.672 -6.467 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.466 -4.667 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.708 -3.889 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.443 -5.610 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.264 -6.467 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.872 -4.296 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.988 -3.640 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.079 -5.984 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.249 -4.579 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.320 -6.220 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.627 -5.492 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.989 -6.958 7.564 1.00 0.00 H new ATOM 504 N PRO A 35 -11.421 -4.590 3.918 1.00 0.00 N ATOM 505 CA PRO A 35 -12.574 -3.802 3.462 1.00 0.00 C ATOM 506 C PRO A 35 -12.100 -2.505 2.769 1.00 0.00 C ATOM 507 O PRO A 35 -10.952 -2.125 2.881 1.00 0.00 O ATOM 508 CB PRO A 35 -13.366 -3.470 4.733 1.00 0.00 C ATOM 509 CG PRO A 35 -12.613 -4.117 5.934 1.00 0.00 C ATOM 510 CD PRO A 35 -11.412 -4.891 5.362 1.00 0.00 C ATOM 0 HA PRO A 35 -13.178 -4.348 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.444 -2.391 4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.383 -3.857 4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.278 -3.352 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.273 -4.786 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.479 -4.572 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.509 -5.961 5.543 1.00 0.00 H new ATOM 518 N PRO A 36 -13.006 -1.852 2.061 1.00 0.00 N ATOM 519 CA PRO A 36 -12.683 -0.601 1.360 1.00 0.00 C ATOM 520 C PRO A 36 -12.172 0.460 2.343 1.00 0.00 C ATOM 521 O PRO A 36 -12.842 0.791 3.301 1.00 0.00 O ATOM 522 CB PRO A 36 -14.003 -0.140 0.735 1.00 0.00 C ATOM 523 CG PRO A 36 -15.092 -1.186 1.110 1.00 0.00 C ATOM 524 CD PRO A 36 -14.401 -2.304 1.909 1.00 0.00 C ATOM 0 HA PRO A 36 -11.899 -0.749 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.277 0.848 1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.906 -0.059 -0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.881 -0.723 1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.562 -1.589 0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.877 -2.450 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.453 -3.257 1.382 1.00 0.00 H new ATOM 532 N ARG A 37 -11.000 0.984 2.077 1.00 0.00 N ATOM 533 CA ARG A 37 -10.441 2.025 2.997 1.00 0.00 C ATOM 534 C ARG A 37 -9.152 2.624 2.413 1.00 0.00 C ATOM 535 O ARG A 37 -8.508 2.022 1.580 1.00 0.00 O ATOM 536 CB ARG A 37 -10.121 1.371 4.351 1.00 0.00 C ATOM 537 CG ARG A 37 -9.912 2.452 5.421 1.00 0.00 C ATOM 538 CD ARG A 37 -8.578 2.202 6.129 1.00 0.00 C ATOM 539 NE ARG A 37 -8.622 0.867 6.787 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.344 0.769 8.058 1.00 0.00 C ATOM 541 NH1 ARG A 37 -7.334 1.442 8.537 1.00 0.00 N ATOM 542 NH2 ARG A 37 -9.086 0.001 8.809 1.00 0.00 N ATOM 0 H ARG A 37 -10.415 0.742 1.278 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.175 2.821 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.935 0.709 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.225 0.756 4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.915 3.441 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.730 2.432 6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.758 2.242 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.393 2.981 6.869 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.867 0.036 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.776 2.033 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.102 1.377 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.868 -0.510 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.884 -0.088 9.805 1.00 0.00 H new ATOM 556 N CYS A 38 -8.818 3.810 2.850 1.00 0.00 N ATOM 557 CA CYS A 38 -7.557 4.445 2.357 1.00 0.00 C ATOM 558 C CYS A 38 -6.353 3.631 2.838 1.00 0.00 C ATOM 559 O CYS A 38 -6.195 3.401 4.021 1.00 0.00 O ATOM 560 CB CYS A 38 -7.465 5.869 2.903 1.00 0.00 C ATOM 561 SG CYS A 38 -8.493 7.135 2.114 1.00 0.00 S ATOM 0 H CYS A 38 -9.355 4.362 3.519 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.561 4.471 1.267 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.720 5.840 3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.425 6.189 2.834 1.00 0.00 H new ATOM 566 N GLU A 39 -5.527 3.211 1.917 1.00 0.00 N ATOM 567 CA GLU A 39 -4.339 2.400 2.328 1.00 0.00 C ATOM 568 C GLU A 39 -3.337 2.274 1.168 1.00 0.00 C ATOM 569 O GLU A 39 -3.535 2.832 0.108 1.00 0.00 O ATOM 570 CB GLU A 39 -4.824 1.005 2.752 1.00 0.00 C ATOM 571 CG GLU A 39 -3.667 0.208 3.376 1.00 0.00 C ATOM 572 CD GLU A 39 -4.230 -0.763 4.417 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.414 -0.310 5.535 1.00 0.00 O ATOM 574 OE2 GLU A 39 -4.444 -1.901 4.035 1.00 0.00 O ATOM 0 H GLU A 39 -5.618 3.388 0.917 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.834 2.894 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.640 1.098 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.219 0.471 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.129 -0.340 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.952 0.886 3.842 1.00 0.00 H new ATOM 581 N CYS A 40 -2.279 1.542 1.404 1.00 0.00 N ATOM 582 CA CYS A 40 -1.241 1.365 0.343 1.00 0.00 C ATOM 583 C CYS A 40 -1.823 0.650 -0.884 1.00 0.00 C ATOM 584 O CYS A 40 -2.862 0.025 -0.809 1.00 0.00 O ATOM 585 CB CYS A 40 -0.092 0.538 0.911 1.00 0.00 C ATOM 586 SG CYS A 40 1.575 0.926 0.329 1.00 0.00 S ATOM 0 H CYS A 40 -2.089 1.060 2.283 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.887 2.348 0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.104 0.644 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.290 -0.511 0.691 1.00 0.00 H new ATOM 591 N ILE A 41 -1.126 0.760 -1.989 1.00 0.00 N ATOM 592 CA ILE A 41 -1.608 0.106 -3.247 1.00 0.00 C ATOM 593 C ILE A 41 -0.435 -0.566 -3.978 1.00 0.00 C ATOM 594 O ILE A 41 0.441 0.100 -4.489 1.00 0.00 O ATOM 595 CB ILE A 41 -2.220 1.173 -4.160 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.303 1.939 -3.396 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.840 0.501 -5.387 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.703 3.238 -2.851 1.00 0.00 C ATOM 0 H ILE A 41 -0.248 1.272 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.352 -0.650 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.442 1.866 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.144 2.159 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.689 1.330 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.275 1.260 -6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.069 -0.044 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.618 -0.193 -5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.467 3.791 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.876 3.004 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.338 3.846 -3.679 1.00 0.00 H new ATOM 610 N ALA A 42 -0.447 -1.869 -4.022 1.00 0.00 N ATOM 611 CA ALA A 42 0.665 -2.584 -4.720 1.00 0.00 C ATOM 612 C ALA A 42 0.498 -2.470 -6.239 1.00 0.00 C ATOM 613 O ALA A 42 1.452 -2.252 -6.958 1.00 0.00 O ATOM 614 CB ALA A 42 0.648 -4.059 -4.318 1.00 0.00 C ATOM 0 H ALA A 42 -1.166 -2.465 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 42 1.614 -2.131 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.458 -4.584 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.780 -4.144 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.306 -4.503 -4.602 1.00 0.00 H new ATOM 620 N SER A 43 -0.718 -2.608 -6.690 1.00 0.00 N ATOM 621 CA SER A 43 -0.975 -2.534 -8.160 1.00 0.00 C ATOM 622 C SER A 43 -0.477 -1.204 -8.737 1.00 0.00 C ATOM 623 O SER A 43 -0.470 -1.017 -9.938 1.00 0.00 O ATOM 624 CB SER A 43 -2.475 -2.665 -8.410 1.00 0.00 C ATOM 625 OG SER A 43 -2.602 -2.555 -9.820 1.00 0.00 O ATOM 0 H SER A 43 -1.542 -2.768 -6.110 1.00 0.00 H new ATOM 0 HA SER A 43 -0.437 -3.345 -8.651 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.857 -3.620 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.034 -1.883 -7.897 1.00 0.00 H new ATOM 0 HG SER A 43 -1.749 -2.262 -10.203 1.00 0.00 H new ATOM 631 N ALA A 44 -0.071 -0.309 -7.873 1.00 0.00 N ATOM 632 CA ALA A 44 0.425 1.015 -8.370 1.00 0.00 C ATOM 633 C ALA A 44 1.955 1.049 -8.357 1.00 0.00 C ATOM 634 O ALA A 44 2.574 1.516 -9.293 1.00 0.00 O ATOM 635 CB ALA A 44 -0.111 2.121 -7.467 1.00 0.00 C ATOM 0 H ALA A 44 -0.060 -0.432 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 44 0.077 1.164 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.247 3.087 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.201 2.109 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.238 1.959 -6.447 1.00 0.00 H new ATOM 641 N GLY A 45 2.527 0.551 -7.293 1.00 0.00 N ATOM 642 CA GLY A 45 4.019 0.543 -7.188 1.00 0.00 C ATOM 643 C GLY A 45 4.463 1.060 -5.817 1.00 0.00 C ATOM 644 O GLY A 45 5.554 1.579 -5.669 1.00 0.00 O ATOM 0 H GLY A 45 2.031 0.152 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.395 -0.469 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.448 1.164 -7.974 1.00 0.00 H new ATOM 648 N PHE A 46 3.609 0.914 -4.842 1.00 0.00 N ATOM 649 CA PHE A 46 3.971 1.389 -3.472 1.00 0.00 C ATOM 650 C PHE A 46 4.576 0.236 -2.661 1.00 0.00 C ATOM 651 O PHE A 46 4.029 -0.848 -2.623 1.00 0.00 O ATOM 652 CB PHE A 46 2.715 1.906 -2.772 1.00 0.00 C ATOM 653 CG PHE A 46 2.305 3.246 -3.389 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.890 4.424 -2.961 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.341 3.298 -4.384 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.517 5.631 -3.518 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.973 4.507 -4.936 1.00 0.00 C ATOM 658 CZ PHE A 46 1.560 5.671 -4.504 1.00 0.00 C ATOM 0 H PHE A 46 2.685 0.491 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 46 4.705 2.191 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.905 1.183 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.903 2.027 -1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.643 4.400 -2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.876 2.386 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.978 6.546 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.221 4.539 -5.710 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.270 6.616 -4.938 1.00 0.00 H new ATOM 668 N VAL A 47 5.695 0.502 -2.029 1.00 0.00 N ATOM 669 CA VAL A 47 6.364 -0.566 -1.216 1.00 0.00 C ATOM 670 C VAL A 47 6.317 -0.211 0.268 1.00 0.00 C ATOM 671 O VAL A 47 6.152 0.936 0.627 1.00 0.00 O ATOM 672 CB VAL A 47 7.821 -0.692 -1.655 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.862 -1.222 -3.083 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.487 0.683 -1.608 1.00 0.00 C ATOM 0 H VAL A 47 6.171 1.404 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 47 5.841 -1.510 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 47 8.350 -1.374 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.899 -1.316 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.380 -2.199 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.337 -0.531 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.527 0.594 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.963 1.364 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.446 1.072 -0.591 1.00 0.00 H new ATOM 684 N ARG A 48 6.471 -1.208 1.098 1.00 0.00 N ATOM 685 CA ARG A 48 6.439 -0.957 2.569 1.00 0.00 C ATOM 686 C ARG A 48 7.851 -1.054 3.157 1.00 0.00 C ATOM 687 O ARG A 48 8.508 -2.069 3.034 1.00 0.00 O ATOM 688 CB ARG A 48 5.540 -2.001 3.233 1.00 0.00 C ATOM 689 CG ARG A 48 4.088 -1.744 2.826 1.00 0.00 C ATOM 690 CD ARG A 48 3.252 -2.985 3.142 1.00 0.00 C ATOM 691 NE ARG A 48 3.791 -3.634 4.370 1.00 0.00 N ATOM 692 CZ ARG A 48 3.162 -3.483 5.502 1.00 0.00 C ATOM 693 NH1 ARG A 48 2.773 -2.288 5.855 1.00 0.00 N ATOM 694 NH2 ARG A 48 2.941 -4.533 6.246 1.00 0.00 N ATOM 0 H ARG A 48 6.617 -2.180 0.824 1.00 0.00 H new ATOM 0 HA ARG A 48 6.050 0.045 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.843 -3.004 2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.641 -1.949 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.695 -0.880 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.031 -1.513 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.208 -2.708 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.281 -3.682 2.304 1.00 0.00 H new ATOM 0 HE ARG A 48 4.644 -4.191 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.962 -1.490 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.280 -2.152 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.259 -5.452 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.450 -4.434 7.135 1.00 0.00 H new ATOM 708 N ASP A 49 8.287 0.006 3.781 1.00 0.00 N ATOM 709 CA ASP A 49 9.652 -0.010 4.383 1.00 0.00 C ATOM 710 C ASP A 49 9.667 -0.917 5.612 1.00 0.00 C ATOM 711 O ASP A 49 8.649 -1.111 6.252 1.00 0.00 O ATOM 712 CB ASP A 49 10.036 1.406 4.796 1.00 0.00 C ATOM 713 CG ASP A 49 11.559 1.507 4.898 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.065 1.048 5.910 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.131 2.037 3.960 1.00 0.00 O ATOM 0 H ASP A 49 7.764 0.874 3.900 1.00 0.00 H new ATOM 0 HA ASP A 49 10.365 -0.388 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.660 2.124 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.579 1.655 5.754 1.00 0.00 H new ATOM 720 N ALA A 50 10.822 -1.445 5.920 1.00 0.00 N ATOM 721 CA ALA A 50 10.932 -2.349 7.098 1.00 0.00 C ATOM 722 C ALA A 50 10.171 -1.753 8.281 1.00 0.00 C ATOM 723 O ALA A 50 9.732 -2.463 9.164 1.00 0.00 O ATOM 724 CB ALA A 50 12.404 -2.514 7.469 1.00 0.00 C ATOM 0 H ALA A 50 11.690 -1.289 5.408 1.00 0.00 H new ATOM 0 HA ALA A 50 10.504 -3.320 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.490 -3.175 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.946 -2.944 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.829 -1.541 7.714 1.00 0.00 H new ATOM 730 N GLN A 51 10.035 -0.461 8.268 1.00 0.00 N ATOM 731 CA GLN A 51 9.299 0.206 9.380 1.00 0.00 C ATOM 732 C GLN A 51 7.794 0.129 9.121 1.00 0.00 C ATOM 733 O GLN A 51 7.030 0.919 9.639 1.00 0.00 O ATOM 734 CB GLN A 51 9.729 1.671 9.459 1.00 0.00 C ATOM 735 CG GLN A 51 11.249 1.742 9.608 1.00 0.00 C ATOM 736 CD GLN A 51 11.618 2.964 10.451 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.722 2.890 11.659 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.822 4.107 9.856 1.00 0.00 N ATOM 0 H GLN A 51 10.396 0.161 7.545 1.00 0.00 H new ATOM 0 HA GLN A 51 9.527 -0.296 10.320 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.414 2.204 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.246 2.159 10.305 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.622 0.834 10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.719 1.807 8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.736 4.177 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.067 4.931 10.405 1.00 0.00 H new ATOM 747 N GLY A 52 7.400 -0.824 8.321 1.00 0.00 N ATOM 748 CA GLY A 52 5.953 -0.962 8.009 1.00 0.00 C ATOM 749 C GLY A 52 5.402 0.371 7.514 1.00 0.00 C ATOM 750 O GLY A 52 4.284 0.733 7.822 1.00 0.00 O ATOM 0 H GLY A 52 8.013 -1.506 7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.807 -1.731 7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.409 -1.284 8.897 1.00 0.00 H new ATOM 754 N ASN A 53 6.206 1.070 6.752 1.00 0.00 N ATOM 755 CA ASN A 53 5.759 2.403 6.227 1.00 0.00 C ATOM 756 C ASN A 53 5.523 2.333 4.715 1.00 0.00 C ATOM 757 O ASN A 53 6.417 2.013 3.958 1.00 0.00 O ATOM 758 CB ASN A 53 6.836 3.443 6.523 1.00 0.00 C ATOM 759 CG ASN A 53 6.648 3.975 7.943 1.00 0.00 C ATOM 760 OD1 ASN A 53 7.156 3.307 8.941 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 6.036 5.003 8.158 1.00 0.00 N flip ATOM 0 H ASN A 53 7.143 0.782 6.471 1.00 0.00 H new ATOM 0 HA ASN A 53 4.825 2.681 6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.826 2.999 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.775 4.261 5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.636 5.530 7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.922 5.338 9.115 1.00 0.00 H new ATOM 768 N CYS A 54 4.325 2.641 4.305 1.00 0.00 N ATOM 769 CA CYS A 54 4.015 2.595 2.845 1.00 0.00 C ATOM 770 C CYS A 54 4.634 3.803 2.132 1.00 0.00 C ATOM 771 O CYS A 54 4.406 4.934 2.511 1.00 0.00 O ATOM 772 CB CYS A 54 2.502 2.616 2.653 1.00 0.00 C ATOM 773 SG CYS A 54 1.885 2.816 0.964 1.00 0.00 S ATOM 0 H CYS A 54 3.552 2.920 4.909 1.00 0.00 H new ATOM 0 HA CYS A 54 4.433 1.682 2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.098 1.686 3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.096 3.426 3.259 1.00 0.00 H new ATOM 778 N ILE A 55 5.402 3.533 1.111 1.00 0.00 N ATOM 779 CA ILE A 55 6.047 4.651 0.361 1.00 0.00 C ATOM 780 C ILE A 55 6.294 4.244 -1.095 1.00 0.00 C ATOM 781 O ILE A 55 6.468 3.081 -1.399 1.00 0.00 O ATOM 782 CB ILE A 55 7.387 4.990 1.014 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.235 3.719 1.102 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.146 5.537 2.422 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.555 4.041 1.808 1.00 0.00 C ATOM 0 H ILE A 55 5.610 2.596 0.766 1.00 0.00 H new ATOM 0 HA ILE A 55 5.385 5.517 0.384 1.00 0.00 H new ATOM 0 HB ILE A 55 7.906 5.741 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.696 2.945 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.429 3.327 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.102 5.778 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.534 6.437 2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.631 4.786 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.162 3.138 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.094 4.801 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.349 4.413 2.812 1.00 0.00 H new ATOM 797 N LYS A 56 6.302 5.217 -1.963 1.00 0.00 N ATOM 798 CA LYS A 56 6.544 4.915 -3.408 1.00 0.00 C ATOM 799 C LYS A 56 7.777 4.014 -3.564 1.00 0.00 C ATOM 800 O LYS A 56 8.587 3.904 -2.666 1.00 0.00 O ATOM 801 CB LYS A 56 6.783 6.225 -4.163 1.00 0.00 C ATOM 802 CG LYS A 56 5.565 7.136 -4.000 1.00 0.00 C ATOM 803 CD LYS A 56 5.955 8.567 -4.373 1.00 0.00 C ATOM 804 CE LYS A 56 6.499 8.584 -5.805 1.00 0.00 C ATOM 805 NZ LYS A 56 6.438 9.961 -6.368 1.00 0.00 N ATOM 0 H LYS A 56 6.153 6.201 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 56 5.673 4.401 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.675 6.721 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.960 6.022 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.750 6.791 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.204 7.101 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.090 9.225 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.708 8.944 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.529 8.226 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.920 7.903 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.810 9.956 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.451 10.289 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.010 10.602 -5.781 1.00 0.00 H new ATOM 819 N PHE A 57 7.888 3.388 -4.706 1.00 0.00 N ATOM 820 CA PHE A 57 9.067 2.498 -4.946 1.00 0.00 C ATOM 821 C PHE A 57 10.343 3.336 -5.083 1.00 0.00 C ATOM 822 O PHE A 57 11.399 2.944 -4.628 1.00 0.00 O ATOM 823 CB PHE A 57 8.839 1.710 -6.235 1.00 0.00 C ATOM 824 CG PHE A 57 9.147 0.230 -5.996 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.430 -0.179 -5.679 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.144 -0.722 -6.092 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.706 -1.514 -5.464 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.422 -2.056 -5.876 1.00 0.00 C ATOM 829 CZ PHE A 57 9.702 -2.450 -5.562 1.00 0.00 C ATOM 0 H PHE A 57 7.223 3.452 -5.476 1.00 0.00 H new ATOM 0 HA PHE A 57 9.181 1.816 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.807 1.828 -6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.476 2.100 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.221 0.552 -5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.137 -0.417 -6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.711 -1.824 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.635 -2.791 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.919 -3.494 -5.392 1.00 0.00 H new ATOM 839 N GLU A 58 10.217 4.477 -5.709 1.00 0.00 N ATOM 840 CA GLU A 58 11.413 5.352 -5.890 1.00 0.00 C ATOM 841 C GLU A 58 11.804 6.001 -4.557 1.00 0.00 C ATOM 842 O GLU A 58 12.875 6.562 -4.428 1.00 0.00 O ATOM 843 CB GLU A 58 11.087 6.440 -6.911 1.00 0.00 C ATOM 844 CG GLU A 58 12.065 6.334 -8.083 1.00 0.00 C ATOM 845 CD GLU A 58 11.766 7.446 -9.091 1.00 0.00 C ATOM 846 OE1 GLU A 58 11.676 8.576 -8.640 1.00 0.00 O ATOM 847 OE2 GLU A 58 11.646 7.103 -10.255 1.00 0.00 O ATOM 0 H GLU A 58 9.347 4.838 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 58 12.248 4.748 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.062 6.329 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.160 7.424 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.091 6.418 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.973 5.359 -8.561 1.00 0.00 H new ATOM 854 N ASP A 59 10.928 5.911 -3.596 1.00 0.00 N ATOM 855 CA ASP A 59 11.236 6.518 -2.267 1.00 0.00 C ATOM 856 C ASP A 59 12.110 5.565 -1.450 1.00 0.00 C ATOM 857 O ASP A 59 12.234 5.706 -0.249 1.00 0.00 O ATOM 858 CB ASP A 59 9.927 6.778 -1.521 1.00 0.00 C ATOM 859 CG ASP A 59 9.237 8.002 -2.123 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.717 8.442 -3.154 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.267 8.429 -1.517 1.00 0.00 O ATOM 0 H ASP A 59 10.021 5.449 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 59 11.772 7.456 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.275 5.907 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.125 6.942 -0.462 1.00 0.00 H new ATOM 866 N CYS A 60 12.695 4.613 -2.121 1.00 0.00 N ATOM 867 CA CYS A 60 13.562 3.636 -1.402 1.00 0.00 C ATOM 868 C CYS A 60 14.994 4.210 -1.254 1.00 0.00 C ATOM 869 O CYS A 60 15.400 5.052 -2.029 1.00 0.00 O ATOM 870 CB CYS A 60 13.602 2.340 -2.214 1.00 0.00 C ATOM 871 SG CYS A 60 12.360 1.087 -1.823 1.00 0.00 S ATOM 0 H CYS A 60 12.612 4.469 -3.127 1.00 0.00 H new ATOM 0 HA CYS A 60 13.162 3.442 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.502 2.598 -3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.587 1.891 -2.087 1.00 0.00 H new