USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=7 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= 0.117 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -5! C(o=-5!,f=-3.3!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -173:sc= -0.0652 USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0697 (180deg=-0.222) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.741) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 53 ASN : amide:sc= -6.74! K(o=-6.7!,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -6.435 10.097 -0.446 1.00 0.00 N ATOM 66 CA CYS A 5 -6.504 10.168 1.044 1.00 0.00 C ATOM 67 C CYS A 5 -5.589 11.280 1.561 1.00 0.00 C ATOM 68 O CYS A 5 -5.187 12.155 0.819 1.00 0.00 O ATOM 69 CB CYS A 5 -6.063 8.829 1.637 1.00 0.00 C ATOM 70 SG CYS A 5 -6.911 7.338 1.054 1.00 0.00 S ATOM 0 HA CYS A 5 -7.530 10.384 1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.998 8.709 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.184 8.884 2.719 1.00 0.00 H new ATOM 75 N THR A 6 -5.280 11.219 2.823 1.00 0.00 N ATOM 76 CA THR A 6 -4.397 12.261 3.418 1.00 0.00 C ATOM 77 C THR A 6 -3.055 12.331 2.675 1.00 0.00 C ATOM 78 O THR A 6 -2.894 13.105 1.751 1.00 0.00 O ATOM 79 CB THR A 6 -4.148 11.916 4.887 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.217 10.494 4.942 1.00 0.00 O ATOM 81 CG2 THR A 6 -5.281 12.412 5.780 1.00 0.00 C ATOM 0 H THR A 6 -5.598 10.496 3.468 1.00 0.00 H new ATOM 0 HA THR A 6 -4.887 13.231 3.333 1.00 0.00 H new ATOM 0 HB THR A 6 -3.208 12.357 5.219 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.064 10.194 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.069 12.149 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.367 13.495 5.691 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.217 11.947 5.472 1.00 0.00 H new ATOM 89 N LYS A 7 -2.120 11.523 3.097 1.00 0.00 N ATOM 90 CA LYS A 7 -0.775 11.542 2.438 1.00 0.00 C ATOM 91 C LYS A 7 -0.803 10.731 1.122 1.00 0.00 C ATOM 92 O LYS A 7 -1.683 9.917 0.915 1.00 0.00 O ATOM 93 CB LYS A 7 0.254 10.924 3.390 1.00 0.00 C ATOM 94 CG LYS A 7 -0.474 10.193 4.521 1.00 0.00 C ATOM 95 CD LYS A 7 0.542 9.385 5.332 1.00 0.00 C ATOM 96 CE LYS A 7 1.603 10.330 5.899 1.00 0.00 C ATOM 97 NZ LYS A 7 2.229 9.738 7.116 1.00 0.00 N ATOM 0 H LYS A 7 -2.224 10.856 3.861 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.507 12.573 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.896 10.230 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.899 11.701 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.984 10.910 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.238 9.533 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.040 8.856 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.011 8.630 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.367 10.523 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.150 11.290 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.947 10.391 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.499 9.577 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.679 8.833 6.870 1.00 0.00 H new ATOM 111 N PRO A 8 0.174 10.972 0.249 1.00 0.00 N ATOM 112 CA PRO A 8 0.263 10.245 -1.027 1.00 0.00 C ATOM 113 C PRO A 8 0.326 8.731 -0.786 1.00 0.00 C ATOM 114 O PRO A 8 0.215 8.277 0.334 1.00 0.00 O ATOM 115 CB PRO A 8 1.558 10.737 -1.685 1.00 0.00 C ATOM 116 CG PRO A 8 2.202 11.781 -0.724 1.00 0.00 C ATOM 117 CD PRO A 8 1.241 11.969 0.463 1.00 0.00 C ATOM 0 HA PRO A 8 -0.609 10.426 -1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.240 9.905 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.348 11.187 -2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.176 11.435 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.365 12.728 -1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.750 11.805 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.837 12.981 0.488 1.00 0.00 H new ATOM 125 N ASN A 9 0.515 7.986 -1.846 1.00 0.00 N ATOM 126 CA ASN A 9 0.575 6.495 -1.708 1.00 0.00 C ATOM 127 C ASN A 9 -0.718 5.980 -1.059 1.00 0.00 C ATOM 128 O ASN A 9 -1.585 5.464 -1.737 1.00 0.00 O ATOM 129 CB ASN A 9 1.800 6.095 -0.862 1.00 0.00 C ATOM 130 CG ASN A 9 2.909 7.141 -1.020 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.814 6.989 -1.821 1.00 0.00 O ATOM 132 ND2 ASN A 9 2.887 8.206 -0.268 1.00 0.00 N ATOM 0 H ASN A 9 0.630 8.341 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 9 0.673 6.045 -2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.516 6.010 0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.164 5.116 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.625 8.905 -0.353 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.132 8.340 0.405 1.00 0.00 H new ATOM 139 N GLU A 10 -0.831 6.128 0.232 1.00 0.00 N ATOM 140 CA GLU A 10 -2.072 5.666 0.904 1.00 0.00 C ATOM 141 C GLU A 10 -3.282 6.190 0.129 1.00 0.00 C ATOM 142 O GLU A 10 -3.572 7.369 0.161 1.00 0.00 O ATOM 143 CB GLU A 10 -2.104 6.205 2.334 1.00 0.00 C ATOM 144 CG GLU A 10 -0.925 5.620 3.118 1.00 0.00 C ATOM 145 CD GLU A 10 -1.454 4.895 4.358 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.720 3.714 4.220 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.559 5.564 5.373 1.00 0.00 O ATOM 0 H GLU A 10 -0.127 6.543 0.842 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.098 4.577 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.047 7.294 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.045 5.938 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.363 4.929 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.239 6.414 3.412 1.00 0.00 H new ATOM 154 N GLN A 11 -3.953 5.304 -0.556 1.00 0.00 N ATOM 155 CA GLN A 11 -5.140 5.727 -1.354 1.00 0.00 C ATOM 156 C GLN A 11 -6.312 4.793 -1.075 1.00 0.00 C ATOM 157 O GLN A 11 -6.147 3.743 -0.488 1.00 0.00 O ATOM 158 CB GLN A 11 -4.790 5.673 -2.840 1.00 0.00 C ATOM 159 CG GLN A 11 -5.523 6.799 -3.570 1.00 0.00 C ATOM 160 CD GLN A 11 -5.646 6.446 -5.054 1.00 0.00 C ATOM 161 OE1 GLN A 11 -6.730 6.364 -5.596 1.00 0.00 O ATOM 162 NE2 GLN A 11 -4.562 6.229 -5.746 1.00 0.00 N ATOM 0 H GLN A 11 -3.732 4.309 -0.598 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.419 6.743 -1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.713 5.775 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.074 4.707 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.512 6.945 -3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.981 7.737 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.648 6.296 -5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.628 5.992 -6.736 1.00 0.00 H new ATOM 171 N TRP A 12 -7.472 5.190 -1.500 1.00 0.00 N ATOM 172 CA TRP A 12 -8.662 4.335 -1.262 1.00 0.00 C ATOM 173 C TRP A 12 -8.542 3.026 -2.018 1.00 0.00 C ATOM 174 O TRP A 12 -8.121 3.005 -3.159 1.00 0.00 O ATOM 175 CB TRP A 12 -9.907 5.053 -1.744 1.00 0.00 C ATOM 176 CG TRP A 12 -11.098 4.092 -1.662 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.596 3.409 -2.694 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.796 3.867 -0.575 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.649 2.768 -2.162 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.844 3.006 -0.826 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.594 4.353 0.699 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.693 2.637 0.190 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.443 3.982 1.720 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.494 3.123 1.464 1.00 0.00 C ATOM 0 H TRP A 12 -7.649 6.062 -1.998 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.727 4.131 -0.193 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.093 5.936 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.770 5.397 -2.769 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.238 3.379 -3.713 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.254 2.154 -2.707 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.771 5.024 0.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.516 1.966 -0.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.287 4.362 2.719 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.160 2.832 2.263 1.00 0.00 H new ATOM 195 N THR A 13 -8.908 1.961 -1.367 1.00 0.00 N ATOM 196 CA THR A 13 -8.859 0.644 -2.045 1.00 0.00 C ATOM 197 C THR A 13 -10.101 -0.168 -1.678 1.00 0.00 C ATOM 198 O THR A 13 -10.354 -0.438 -0.520 1.00 0.00 O ATOM 199 CB THR A 13 -7.594 -0.115 -1.626 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.898 -1.484 -1.866 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.337 -0.018 -0.125 1.00 0.00 C ATOM 0 H THR A 13 -9.237 1.947 -0.401 1.00 0.00 H new ATOM 0 HA THR A 13 -8.836 0.797 -3.124 1.00 0.00 H new ATOM 0 HB THR A 13 -6.733 0.284 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.172 -2.045 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.431 -0.570 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.214 1.028 0.156 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.182 -0.442 0.417 1.00 0.00 H new ATOM 209 N LYS A 14 -10.863 -0.530 -2.667 1.00 0.00 N ATOM 210 CA LYS A 14 -12.089 -1.318 -2.376 1.00 0.00 C ATOM 211 C LYS A 14 -11.694 -2.680 -1.796 1.00 0.00 C ATOM 212 O LYS A 14 -12.476 -3.325 -1.126 1.00 0.00 O ATOM 213 CB LYS A 14 -12.883 -1.519 -3.681 1.00 0.00 C ATOM 214 CG LYS A 14 -14.385 -1.209 -3.475 1.00 0.00 C ATOM 215 CD LYS A 14 -14.673 0.214 -3.956 1.00 0.00 C ATOM 216 CE LYS A 14 -15.972 0.706 -3.312 1.00 0.00 C ATOM 217 NZ LYS A 14 -15.738 1.080 -1.888 1.00 0.00 N ATOM 0 H LYS A 14 -10.695 -0.319 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.707 -0.785 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.479 -0.872 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.765 -2.546 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.996 -1.923 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.649 -1.311 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.848 0.875 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.761 0.233 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.355 1.566 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.732 -0.074 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.508 1.697 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.710 0.220 -1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.832 1.584 -1.806 1.00 0.00 H new ATOM 231 N CYS A 15 -10.480 -3.082 -2.074 1.00 0.00 N ATOM 232 CA CYS A 15 -9.992 -4.392 -1.554 1.00 0.00 C ATOM 233 C CYS A 15 -8.572 -4.244 -0.993 1.00 0.00 C ATOM 234 O CYS A 15 -7.615 -4.169 -1.737 1.00 0.00 O ATOM 235 CB CYS A 15 -9.975 -5.401 -2.696 1.00 0.00 C ATOM 236 SG CYS A 15 -8.605 -6.586 -2.730 1.00 0.00 S ATOM 0 H CYS A 15 -9.808 -2.560 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.655 -4.732 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.908 -5.964 -2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.968 -4.848 -3.636 1.00 0.00 H new ATOM 241 N GLY A 16 -8.469 -4.206 0.306 1.00 0.00 N ATOM 242 CA GLY A 16 -7.122 -4.067 0.926 1.00 0.00 C ATOM 243 C GLY A 16 -6.512 -5.446 1.187 1.00 0.00 C ATOM 244 O GLY A 16 -6.838 -6.405 0.515 1.00 0.00 O ATOM 0 H GLY A 16 -9.250 -4.264 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.470 -3.492 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.200 -3.514 1.862 1.00 0.00 H new ATOM 248 N GLY A 17 -5.641 -5.513 2.162 1.00 0.00 N ATOM 249 CA GLY A 17 -4.994 -6.819 2.496 1.00 0.00 C ATOM 250 C GLY A 17 -3.477 -6.650 2.589 1.00 0.00 C ATOM 251 O GLY A 17 -2.991 -5.701 3.172 1.00 0.00 O ATOM 0 H GLY A 17 -5.351 -4.724 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.384 -7.194 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.238 -7.559 1.734 1.00 0.00 H new ATOM 255 N CYS A 18 -2.761 -7.576 2.015 1.00 0.00 N ATOM 256 CA CYS A 18 -1.273 -7.481 2.060 1.00 0.00 C ATOM 257 C CYS A 18 -0.769 -6.586 0.926 1.00 0.00 C ATOM 258 O CYS A 18 -1.536 -6.138 0.097 1.00 0.00 O ATOM 259 CB CYS A 18 -0.668 -8.873 1.900 1.00 0.00 C ATOM 260 SG CYS A 18 -1.626 -10.283 2.505 1.00 0.00 S ATOM 0 H CYS A 18 -3.135 -8.386 1.522 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.976 -7.054 3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.470 -9.032 0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.296 -8.880 2.409 1.00 0.00 H new ATOM 265 N GLU A 19 0.511 -6.352 0.914 1.00 0.00 N ATOM 266 CA GLU A 19 1.089 -5.499 -0.161 1.00 0.00 C ATOM 267 C GLU A 19 2.482 -6.016 -0.533 1.00 0.00 C ATOM 268 O GLU A 19 2.718 -7.206 -0.527 1.00 0.00 O ATOM 269 CB GLU A 19 1.188 -4.052 0.332 1.00 0.00 C ATOM 270 CG GLU A 19 1.363 -3.115 -0.877 1.00 0.00 C ATOM 271 CD GLU A 19 2.473 -2.099 -0.593 1.00 0.00 C ATOM 272 OE1 GLU A 19 3.506 -2.537 -0.112 1.00 0.00 O ATOM 273 OE2 GLU A 19 2.230 -0.943 -0.885 1.00 0.00 O ATOM 0 H GLU A 19 1.179 -6.711 1.596 1.00 0.00 H new ATOM 0 HA GLU A 19 0.446 -5.537 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.290 -3.783 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.031 -3.945 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.609 -3.696 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.427 -2.596 -1.084 1.00 0.00 H new ATOM 280 N GLY A 20 3.371 -5.113 -0.848 1.00 0.00 N ATOM 281 CA GLY A 20 4.752 -5.538 -1.223 1.00 0.00 C ATOM 282 C GLY A 20 5.790 -4.683 -0.505 1.00 0.00 C ATOM 283 O GLY A 20 5.452 -3.821 0.283 1.00 0.00 O ATOM 0 H GLY A 20 3.204 -4.107 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.897 -6.587 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.885 -5.452 -2.301 1.00 0.00 H new ATOM 287 N THR A 21 7.035 -4.946 -0.792 1.00 0.00 N ATOM 288 CA THR A 21 8.126 -4.160 -0.144 1.00 0.00 C ATOM 289 C THR A 21 9.178 -3.787 -1.186 1.00 0.00 C ATOM 290 O THR A 21 8.966 -3.952 -2.372 1.00 0.00 O ATOM 291 CB THR A 21 8.774 -5.005 0.957 1.00 0.00 C ATOM 292 OG1 THR A 21 9.055 -6.256 0.338 1.00 0.00 O ATOM 293 CG2 THR A 21 7.787 -5.322 2.077 1.00 0.00 C ATOM 0 H THR A 21 7.345 -5.667 -1.444 1.00 0.00 H new ATOM 0 HA THR A 21 7.710 -3.250 0.290 1.00 0.00 H new ATOM 0 HB THR A 21 9.634 -4.478 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.477 -6.855 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.283 -5.923 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.431 -4.393 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.942 -5.877 1.671 1.00 0.00 H new ATOM 301 N CYS A 22 10.291 -3.297 -0.727 1.00 0.00 N ATOM 302 CA CYS A 22 11.358 -2.908 -1.687 1.00 0.00 C ATOM 303 C CYS A 22 12.051 -4.160 -2.228 1.00 0.00 C ATOM 304 O CYS A 22 13.033 -4.071 -2.939 1.00 0.00 O ATOM 305 CB CYS A 22 12.376 -2.027 -0.973 1.00 0.00 C ATOM 306 SG CYS A 22 13.187 -0.744 -1.948 1.00 0.00 S ATOM 0 H CYS A 22 10.508 -3.150 0.259 1.00 0.00 H new ATOM 0 HA CYS A 22 10.917 -2.359 -2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.876 -1.546 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.149 -2.673 -0.557 1.00 0.00 H new ATOM 311 N ALA A 23 11.516 -5.300 -1.874 1.00 0.00 N ATOM 312 CA ALA A 23 12.113 -6.587 -2.344 1.00 0.00 C ATOM 313 C ALA A 23 11.040 -7.451 -3.016 1.00 0.00 C ATOM 314 O ALA A 23 11.349 -8.372 -3.746 1.00 0.00 O ATOM 315 CB ALA A 23 12.688 -7.333 -1.142 1.00 0.00 C ATOM 0 H ALA A 23 10.692 -5.396 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 23 12.901 -6.379 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.126 -8.274 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.456 -6.722 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.892 -7.536 -0.425 1.00 0.00 H new ATOM 321 N GLN A 24 9.803 -7.133 -2.754 1.00 0.00 N ATOM 322 CA GLN A 24 8.695 -7.921 -3.369 1.00 0.00 C ATOM 323 C GLN A 24 7.489 -7.024 -3.612 1.00 0.00 C ATOM 324 O GLN A 24 6.569 -6.977 -2.820 1.00 0.00 O ATOM 325 CB GLN A 24 8.306 -9.063 -2.432 1.00 0.00 C ATOM 326 CG GLN A 24 9.497 -10.012 -2.276 1.00 0.00 C ATOM 327 CD GLN A 24 9.014 -11.334 -1.677 1.00 0.00 C ATOM 328 OE1 GLN A 24 8.993 -11.513 -0.475 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.617 -12.285 -2.478 1.00 0.00 N ATOM 0 H GLN A 24 9.511 -6.368 -2.146 1.00 0.00 H new ATOM 0 HA GLN A 24 9.030 -8.328 -4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.011 -8.668 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.447 -9.601 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.966 -10.188 -3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.253 -9.562 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.632 -12.141 -3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.292 -13.172 -2.094 1.00 0.00 H new ATOM 338 N LYS A 25 7.524 -6.328 -4.709 1.00 0.00 N ATOM 339 CA LYS A 25 6.398 -5.421 -5.042 1.00 0.00 C ATOM 340 C LYS A 25 5.059 -6.137 -4.785 1.00 0.00 C ATOM 341 O LYS A 25 4.066 -5.506 -4.485 1.00 0.00 O ATOM 342 CB LYS A 25 6.527 -5.023 -6.528 1.00 0.00 C ATOM 343 CG LYS A 25 5.936 -3.614 -6.786 1.00 0.00 C ATOM 344 CD LYS A 25 4.455 -3.735 -7.096 1.00 0.00 C ATOM 345 CE LYS A 25 4.257 -3.809 -8.612 1.00 0.00 C ATOM 346 NZ LYS A 25 2.949 -4.441 -8.936 1.00 0.00 N ATOM 0 H LYS A 25 8.284 -6.348 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 25 6.427 -4.528 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.577 -5.039 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.011 -5.755 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.085 -2.980 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.455 -3.137 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.044 -4.626 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.916 -2.879 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.300 -2.807 -9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.067 -4.383 -9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.034 -4.981 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.673 -5.082 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.225 -3.703 -9.049 1.00 0.00 H new ATOM 360 N ILE A 26 5.071 -7.444 -4.902 1.00 0.00 N ATOM 361 CA ILE A 26 3.815 -8.223 -4.656 1.00 0.00 C ATOM 362 C ILE A 26 4.115 -9.434 -3.763 1.00 0.00 C ATOM 363 O ILE A 26 4.949 -10.255 -4.089 1.00 0.00 O ATOM 364 CB ILE A 26 3.255 -8.705 -5.994 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.991 -7.489 -6.890 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.941 -9.457 -5.750 1.00 0.00 C ATOM 367 CD1 ILE A 26 2.521 -7.962 -8.266 1.00 0.00 C ATOM 0 H ILE A 26 5.888 -8.001 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 26 3.086 -7.585 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 26 3.969 -9.371 -6.479 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.236 -6.847 -6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.898 -6.893 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.538 -9.803 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.127 -10.313 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.223 -8.790 -5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.333 -7.098 -8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.291 -8.586 -8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.603 -8.540 -8.158 1.00 0.00 H new ATOM 379 N VAL A 27 3.422 -9.515 -2.652 1.00 0.00 N ATOM 380 CA VAL A 27 3.650 -10.660 -1.718 1.00 0.00 C ATOM 381 C VAL A 27 2.464 -11.672 -1.815 1.00 0.00 C ATOM 382 O VAL A 27 1.321 -11.263 -1.818 1.00 0.00 O ATOM 383 CB VAL A 27 3.728 -10.109 -0.289 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.314 -9.788 0.210 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.361 -11.157 0.630 1.00 0.00 C ATOM 0 H VAL A 27 2.714 -8.843 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 27 4.575 -11.173 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 27 4.335 -9.204 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.367 -9.396 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.858 -9.044 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.711 -10.696 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.416 -10.765 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.753 -12.062 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.365 -11.392 0.277 1.00 0.00 H new ATOM 395 N PRO A 28 2.748 -12.979 -1.899 1.00 0.00 N ATOM 396 CA PRO A 28 1.668 -13.978 -1.975 1.00 0.00 C ATOM 397 C PRO A 28 0.784 -13.910 -0.722 1.00 0.00 C ATOM 398 O PRO A 28 1.259 -13.635 0.362 1.00 0.00 O ATOM 399 CB PRO A 28 2.373 -15.337 -2.051 1.00 0.00 C ATOM 400 CG PRO A 28 3.906 -15.073 -1.985 1.00 0.00 C ATOM 401 CD PRO A 28 4.111 -13.550 -1.943 1.00 0.00 C ATOM 0 HA PRO A 28 1.020 -13.806 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.059 -15.979 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.112 -15.853 -2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.338 -15.543 -1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.407 -15.504 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.691 -13.254 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.656 -13.201 -2.820 1.00 0.00 H new ATOM 409 N CYS A 29 -0.483 -14.163 -0.899 1.00 0.00 N ATOM 410 CA CYS A 29 -1.410 -14.122 0.271 1.00 0.00 C ATOM 411 C CYS A 29 -2.725 -14.826 -0.067 1.00 0.00 C ATOM 412 O CYS A 29 -3.412 -14.452 -0.997 1.00 0.00 O ATOM 413 CB CYS A 29 -1.692 -12.667 0.641 1.00 0.00 C ATOM 414 SG CYS A 29 -0.592 -11.889 1.850 1.00 0.00 S ATOM 0 H CYS A 29 -0.915 -14.394 -1.793 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.943 -14.635 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.661 -12.074 -0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.710 -12.608 1.025 1.00 0.00 H new ATOM 419 N THR A 30 -3.047 -15.833 0.697 1.00 0.00 N ATOM 420 CA THR A 30 -4.316 -16.571 0.438 1.00 0.00 C ATOM 421 C THR A 30 -5.515 -15.719 0.861 1.00 0.00 C ATOM 422 O THR A 30 -6.632 -15.964 0.452 1.00 0.00 O ATOM 423 CB THR A 30 -4.307 -17.877 1.238 1.00 0.00 C ATOM 424 OG1 THR A 30 -4.432 -17.469 2.598 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.956 -18.579 1.150 1.00 0.00 C ATOM 0 H THR A 30 -2.493 -16.175 1.482 1.00 0.00 H new ATOM 0 HA THR A 30 -4.397 -16.789 -0.627 1.00 0.00 H new ATOM 0 HB THR A 30 -5.086 -18.544 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.436 -18.259 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.987 -19.502 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.734 -18.812 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.180 -17.926 1.549 1.00 0.00 H new ATOM 433 N ARG A 31 -5.255 -14.733 1.674 1.00 0.00 N ATOM 434 CA ARG A 31 -6.366 -13.850 2.134 1.00 0.00 C ATOM 435 C ARG A 31 -7.234 -13.435 0.944 1.00 0.00 C ATOM 436 O ARG A 31 -6.897 -13.701 -0.194 1.00 0.00 O ATOM 437 CB ARG A 31 -5.774 -12.603 2.791 1.00 0.00 C ATOM 438 CG ARG A 31 -5.169 -12.987 4.143 1.00 0.00 C ATOM 439 CD ARG A 31 -4.561 -11.742 4.791 1.00 0.00 C ATOM 440 NE ARG A 31 -4.361 -12.000 6.244 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.065 -13.207 6.647 1.00 0.00 C ATOM 442 NH1 ARG A 31 -5.035 -14.029 6.939 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.809 -13.547 6.743 1.00 0.00 N ATOM 0 H ARG A 31 -4.331 -14.501 2.038 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.983 -14.391 2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.010 -12.166 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.547 -11.847 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.936 -13.412 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.405 -13.753 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.610 -11.498 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.218 -10.884 4.648 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.454 -11.241 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.005 -13.725 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.824 -14.975 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.079 -12.875 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.557 -14.485 7.056 1.00 0.00 H new ATOM 457 N GLU A 32 -8.336 -12.792 1.230 1.00 0.00 N ATOM 458 CA GLU A 32 -9.239 -12.352 0.128 1.00 0.00 C ATOM 459 C GLU A 32 -9.037 -10.865 -0.156 1.00 0.00 C ATOM 460 O GLU A 32 -8.397 -10.496 -1.119 1.00 0.00 O ATOM 461 CB GLU A 32 -10.691 -12.595 0.545 1.00 0.00 C ATOM 462 CG GLU A 32 -11.101 -14.010 0.134 1.00 0.00 C ATOM 463 CD GLU A 32 -12.528 -14.280 0.615 1.00 0.00 C ATOM 464 OE1 GLU A 32 -12.702 -14.276 1.822 1.00 0.00 O ATOM 465 OE2 GLU A 32 -13.364 -14.477 -0.251 1.00 0.00 O ATOM 0 H GLU A 32 -8.647 -12.554 2.172 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.008 -12.920 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.798 -12.471 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.345 -11.862 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.043 -14.118 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.415 -14.740 0.564 1.00 0.00 H new ATOM 472 N CYS A 33 -9.581 -10.045 0.698 1.00 0.00 N ATOM 473 CA CYS A 33 -9.442 -8.571 0.497 1.00 0.00 C ATOM 474 C CYS A 33 -9.980 -7.817 1.721 1.00 0.00 C ATOM 475 O CYS A 33 -11.174 -7.739 1.921 1.00 0.00 O ATOM 476 CB CYS A 33 -10.249 -8.157 -0.736 1.00 0.00 C ATOM 477 SG CYS A 33 -9.478 -8.367 -2.360 1.00 0.00 S ATOM 0 H CYS A 33 -10.113 -10.326 1.522 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.389 -8.327 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.180 -8.723 -0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.514 -7.106 -0.625 1.00 0.00 H new ATOM 482 N LYS A 34 -9.090 -7.281 2.513 1.00 0.00 N ATOM 483 CA LYS A 34 -9.555 -6.528 3.715 1.00 0.00 C ATOM 484 C LYS A 34 -10.682 -5.557 3.295 1.00 0.00 C ATOM 485 O LYS A 34 -10.778 -5.196 2.138 1.00 0.00 O ATOM 486 CB LYS A 34 -8.378 -5.742 4.293 1.00 0.00 C ATOM 487 CG LYS A 34 -7.784 -6.526 5.466 1.00 0.00 C ATOM 488 CD LYS A 34 -6.554 -5.786 5.996 1.00 0.00 C ATOM 489 CE LYS A 34 -5.723 -6.745 6.850 1.00 0.00 C ATOM 490 NZ LYS A 34 -4.973 -5.993 7.897 1.00 0.00 N ATOM 0 H LYS A 34 -8.079 -7.330 2.384 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.935 -7.217 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.620 -5.580 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.709 -4.759 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.525 -6.637 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.508 -7.530 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.957 -5.407 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.860 -4.924 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.375 -7.482 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.025 -7.294 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.414 -6.658 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.337 -5.307 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.645 -5.489 8.511 1.00 0.00 H new ATOM 504 N PRO A 35 -11.518 -5.147 4.239 1.00 0.00 N ATOM 505 CA PRO A 35 -12.619 -4.229 3.922 1.00 0.00 C ATOM 506 C PRO A 35 -12.084 -2.940 3.249 1.00 0.00 C ATOM 507 O PRO A 35 -10.910 -2.637 3.339 1.00 0.00 O ATOM 508 CB PRO A 35 -13.271 -3.899 5.271 1.00 0.00 C ATOM 509 CG PRO A 35 -12.505 -4.701 6.367 1.00 0.00 C ATOM 510 CD PRO A 35 -11.433 -5.546 5.656 1.00 0.00 C ATOM 0 HA PRO A 35 -13.327 -4.675 3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.218 -2.829 5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.327 -4.171 5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.045 -4.024 7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.190 -5.340 6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.441 -5.351 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.624 -6.612 5.779 1.00 0.00 H new ATOM 518 N PRO A 36 -12.968 -2.206 2.587 1.00 0.00 N ATOM 519 CA PRO A 36 -12.589 -0.950 1.912 1.00 0.00 C ATOM 520 C PRO A 36 -11.976 0.047 2.904 1.00 0.00 C ATOM 521 O PRO A 36 -12.527 0.291 3.958 1.00 0.00 O ATOM 522 CB PRO A 36 -13.900 -0.385 1.356 1.00 0.00 C ATOM 523 CG PRO A 36 -15.039 -1.377 1.730 1.00 0.00 C ATOM 524 CD PRO A 36 -14.393 -2.565 2.459 1.00 0.00 C ATOM 0 HA PRO A 36 -11.843 -1.125 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.099 0.601 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.837 -0.265 0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.777 -0.891 2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.563 -1.714 0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.849 -2.724 3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.518 -3.489 1.895 1.00 0.00 H new ATOM 532 N ARG A 37 -10.847 0.608 2.542 1.00 0.00 N ATOM 533 CA ARG A 37 -10.193 1.602 3.455 1.00 0.00 C ATOM 534 C ARG A 37 -8.958 2.222 2.782 1.00 0.00 C ATOM 535 O ARG A 37 -8.441 1.691 1.819 1.00 0.00 O ATOM 536 CB ARG A 37 -9.753 0.901 4.747 1.00 0.00 C ATOM 537 CG ARG A 37 -9.780 1.908 5.901 1.00 0.00 C ATOM 538 CD ARG A 37 -8.763 1.483 6.960 1.00 0.00 C ATOM 539 NE ARG A 37 -8.803 2.454 8.091 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.526 2.042 9.297 1.00 0.00 C ATOM 541 NH1 ARG A 37 -9.217 1.059 9.803 1.00 0.00 N ATOM 542 NH2 ARG A 37 -7.564 2.627 9.959 1.00 0.00 N ATOM 0 H ARG A 37 -10.355 0.425 1.667 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.912 2.390 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.416 0.063 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.750 0.492 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.545 2.907 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.778 1.955 6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.990 0.479 7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.763 1.449 6.529 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.045 3.431 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.961 0.625 9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.014 0.724 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.043 3.393 9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.334 2.318 10.903 1.00 0.00 H new ATOM 556 N CYS A 38 -8.526 3.343 3.299 1.00 0.00 N ATOM 557 CA CYS A 38 -7.310 3.996 2.725 1.00 0.00 C ATOM 558 C CYS A 38 -6.080 3.137 3.029 1.00 0.00 C ATOM 559 O CYS A 38 -5.835 2.788 4.166 1.00 0.00 O ATOM 560 CB CYS A 38 -7.133 5.380 3.356 1.00 0.00 C ATOM 561 SG CYS A 38 -8.049 6.759 2.623 1.00 0.00 S ATOM 0 H CYS A 38 -8.956 3.831 4.085 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.425 4.098 1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.416 5.309 4.406 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.072 5.629 3.328 1.00 0.00 H new ATOM 566 N GLU A 39 -5.328 2.815 2.012 1.00 0.00 N ATOM 567 CA GLU A 39 -4.120 1.968 2.253 1.00 0.00 C ATOM 568 C GLU A 39 -3.163 2.041 1.058 1.00 0.00 C ATOM 569 O GLU A 39 -3.451 2.673 0.062 1.00 0.00 O ATOM 570 CB GLU A 39 -4.569 0.519 2.468 1.00 0.00 C ATOM 571 CG GLU A 39 -3.370 -0.345 2.889 1.00 0.00 C ATOM 572 CD GLU A 39 -3.873 -1.530 3.719 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.304 -2.486 3.096 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.798 -1.411 4.932 1.00 0.00 O ATOM 0 H GLU A 39 -5.490 3.093 1.044 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.595 2.333 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.343 0.479 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.007 0.125 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.836 -0.702 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.664 0.249 3.470 1.00 0.00 H new ATOM 581 N CYS A 40 -2.042 1.384 1.186 1.00 0.00 N ATOM 582 CA CYS A 40 -1.044 1.401 0.078 1.00 0.00 C ATOM 583 C CYS A 40 -1.577 0.626 -1.134 1.00 0.00 C ATOM 584 O CYS A 40 -2.557 -0.084 -1.036 1.00 0.00 O ATOM 585 CB CYS A 40 0.245 0.753 0.574 1.00 0.00 C ATOM 586 SG CYS A 40 1.802 1.527 0.082 1.00 0.00 S ATOM 0 H CYS A 40 -1.775 0.839 2.006 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.856 2.431 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.211 0.725 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.258 -0.281 0.229 1.00 0.00 H new ATOM 591 N ILE A 41 -0.911 0.782 -2.254 1.00 0.00 N ATOM 592 CA ILE A 41 -1.362 0.068 -3.492 1.00 0.00 C ATOM 593 C ILE A 41 -0.156 -0.526 -4.233 1.00 0.00 C ATOM 594 O ILE A 41 0.674 0.193 -4.751 1.00 0.00 O ATOM 595 CB ILE A 41 -2.082 1.064 -4.408 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.262 1.684 -3.646 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.605 0.331 -5.651 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.833 3.037 -3.073 1.00 0.00 C ATOM 0 H ILE A 41 -0.083 1.367 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.037 -0.741 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.389 1.848 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.115 1.811 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.582 1.020 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.117 1.039 -6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.769 -0.117 -6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.301 -0.451 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.666 3.483 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.993 2.894 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.534 3.698 -3.886 1.00 0.00 H new ATOM 610 N ALA A 42 -0.086 -1.828 -4.273 1.00 0.00 N ATOM 611 CA ALA A 42 1.057 -2.476 -4.982 1.00 0.00 C ATOM 612 C ALA A 42 0.847 -2.401 -6.496 1.00 0.00 C ATOM 613 O ALA A 42 1.772 -2.155 -7.244 1.00 0.00 O ATOM 614 CB ALA A 42 1.150 -3.941 -4.556 1.00 0.00 C ATOM 0 H ALA A 42 -0.761 -2.466 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 42 1.979 -1.955 -4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.984 -4.418 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.309 -3.997 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.223 -4.454 -4.813 1.00 0.00 H new ATOM 620 N SER A 43 -0.370 -2.607 -6.916 1.00 0.00 N ATOM 621 CA SER A 43 -0.662 -2.557 -8.376 1.00 0.00 C ATOM 622 C SER A 43 -0.219 -1.215 -8.961 1.00 0.00 C ATOM 623 O SER A 43 -0.258 -1.015 -10.159 1.00 0.00 O ATOM 624 CB SER A 43 -2.164 -2.737 -8.591 1.00 0.00 C ATOM 625 OG SER A 43 -2.441 -4.019 -8.047 1.00 0.00 O ATOM 0 H SER A 43 -1.170 -2.807 -6.316 1.00 0.00 H new ATOM 0 HA SER A 43 -0.115 -3.355 -8.878 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.735 -1.958 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.424 -2.688 -9.648 1.00 0.00 H new ATOM 0 HG SER A 43 -3.396 -4.216 -8.143 1.00 0.00 H new ATOM 631 N ALA A 44 0.195 -0.322 -8.099 1.00 0.00 N ATOM 632 CA ALA A 44 0.647 1.018 -8.586 1.00 0.00 C ATOM 633 C ALA A 44 2.174 1.094 -8.581 1.00 0.00 C ATOM 634 O ALA A 44 2.777 1.554 -9.533 1.00 0.00 O ATOM 635 CB ALA A 44 0.085 2.098 -7.666 1.00 0.00 C ATOM 0 H ALA A 44 0.240 -0.459 -7.089 1.00 0.00 H new ATOM 0 HA ALA A 44 0.288 1.169 -9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.410 3.078 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.004 2.053 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.447 1.936 -6.651 1.00 0.00 H new ATOM 641 N GLY A 45 2.766 0.637 -7.508 1.00 0.00 N ATOM 642 CA GLY A 45 4.255 0.672 -7.409 1.00 0.00 C ATOM 643 C GLY A 45 4.694 1.205 -6.040 1.00 0.00 C ATOM 644 O GLY A 45 5.811 1.661 -5.881 1.00 0.00 O ATOM 0 H GLY A 45 2.285 0.243 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.658 -0.329 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.662 1.304 -8.199 1.00 0.00 H new ATOM 648 N PHE A 46 3.809 1.141 -5.082 1.00 0.00 N ATOM 649 CA PHE A 46 4.171 1.639 -3.722 1.00 0.00 C ATOM 650 C PHE A 46 4.710 0.487 -2.863 1.00 0.00 C ATOM 651 O PHE A 46 4.334 -0.653 -3.045 1.00 0.00 O ATOM 652 CB PHE A 46 2.929 2.230 -3.051 1.00 0.00 C ATOM 653 CG PHE A 46 2.485 3.496 -3.795 1.00 0.00 C ATOM 654 CD1 PHE A 46 3.136 4.702 -3.585 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.425 3.455 -4.684 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.730 5.842 -4.256 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.025 4.596 -5.351 1.00 0.00 C ATOM 658 CZ PHE A 46 1.678 5.785 -5.137 1.00 0.00 C ATOM 0 H PHE A 46 2.863 0.771 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 46 4.941 2.404 -3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.122 1.497 -3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.146 2.467 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.964 4.752 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.907 2.523 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.241 6.778 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.197 4.553 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.364 6.675 -5.662 1.00 0.00 H new ATOM 668 N VAL A 47 5.584 0.816 -1.944 1.00 0.00 N ATOM 669 CA VAL A 47 6.162 -0.244 -1.054 1.00 0.00 C ATOM 670 C VAL A 47 6.171 0.234 0.397 1.00 0.00 C ATOM 671 O VAL A 47 6.207 1.418 0.662 1.00 0.00 O ATOM 672 CB VAL A 47 7.595 -0.544 -1.486 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.574 -1.197 -2.861 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.389 0.760 -1.557 1.00 0.00 C ATOM 0 H VAL A 47 5.921 1.763 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 47 5.551 -1.143 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 47 8.063 -1.215 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.595 -1.414 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.003 -2.125 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.109 -0.520 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.412 0.546 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.924 1.430 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.397 1.235 -0.576 1.00 0.00 H new ATOM 684 N ARG A 48 6.140 -0.699 1.307 1.00 0.00 N ATOM 685 CA ARG A 48 6.149 -0.314 2.744 1.00 0.00 C ATOM 686 C ARG A 48 7.575 -0.368 3.300 1.00 0.00 C ATOM 687 O ARG A 48 8.187 -1.417 3.347 1.00 0.00 O ATOM 688 CB ARG A 48 5.263 -1.283 3.528 1.00 0.00 C ATOM 689 CG ARG A 48 3.830 -1.195 3.000 1.00 0.00 C ATOM 690 CD ARG A 48 3.079 -2.473 3.378 1.00 0.00 C ATOM 691 NE ARG A 48 3.716 -3.632 2.693 1.00 0.00 N ATOM 692 CZ ARG A 48 3.414 -4.844 3.069 1.00 0.00 C ATOM 693 NH1 ARG A 48 2.328 -5.034 3.769 1.00 0.00 N ATOM 694 NH2 ARG A 48 4.205 -5.824 2.732 1.00 0.00 N ATOM 0 H ARG A 48 6.109 -1.701 1.120 1.00 0.00 H new ATOM 0 HA ARG A 48 5.770 0.703 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.639 -2.301 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.287 -1.039 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.327 -0.325 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.835 -1.068 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.100 -2.616 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.031 -2.394 3.088 1.00 0.00 H new ATOM 0 HE ARG A 48 4.383 -3.479 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.733 -4.242 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.075 -5.974 4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.044 -5.636 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.985 -6.778 3.017 1.00 0.00 H new ATOM 708 N ASP A 49 8.077 0.767 3.709 1.00 0.00 N ATOM 709 CA ASP A 49 9.458 0.794 4.266 1.00 0.00 C ATOM 710 C ASP A 49 9.509 -0.016 5.557 1.00 0.00 C ATOM 711 O ASP A 49 8.524 -0.127 6.261 1.00 0.00 O ATOM 712 CB ASP A 49 9.854 2.235 4.563 1.00 0.00 C ATOM 713 CG ASP A 49 11.378 2.343 4.594 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.945 1.731 5.485 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.890 3.034 3.730 1.00 0.00 O ATOM 0 H ASP A 49 7.596 1.666 3.682 1.00 0.00 H new ATOM 0 HA ASP A 49 10.147 0.363 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.446 2.901 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.436 2.550 5.519 1.00 0.00 H new ATOM 720 N ALA A 50 10.663 -0.557 5.845 1.00 0.00 N ATOM 721 CA ALA A 50 10.804 -1.370 7.084 1.00 0.00 C ATOM 722 C ALA A 50 10.145 -0.647 8.254 1.00 0.00 C ATOM 723 O ALA A 50 9.796 -1.252 9.248 1.00 0.00 O ATOM 724 CB ALA A 50 12.288 -1.575 7.381 1.00 0.00 C ATOM 0 H ALA A 50 11.507 -0.471 5.279 1.00 0.00 H new ATOM 0 HA ALA A 50 10.319 -2.336 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.399 -2.170 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.758 -2.095 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.768 -0.607 7.522 1.00 0.00 H new ATOM 730 N GLN A 51 9.990 0.637 8.109 1.00 0.00 N ATOM 731 CA GLN A 51 9.353 1.422 9.201 1.00 0.00 C ATOM 732 C GLN A 51 7.831 1.382 9.046 1.00 0.00 C ATOM 733 O GLN A 51 7.128 2.235 9.549 1.00 0.00 O ATOM 734 CB GLN A 51 9.835 2.870 9.126 1.00 0.00 C ATOM 735 CG GLN A 51 11.302 2.931 9.557 1.00 0.00 C ATOM 736 CD GLN A 51 11.380 3.348 11.028 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.004 4.443 11.394 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.861 2.505 11.899 1.00 0.00 N ATOM 0 H GLN A 51 10.274 1.174 7.290 1.00 0.00 H new ATOM 0 HA GLN A 51 9.627 0.993 10.165 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.725 3.251 8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.226 3.503 9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.775 1.959 9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.846 3.643 8.936 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.178 1.584 11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.920 2.767 12.883 1.00 0.00 H new ATOM 747 N GLY A 52 7.355 0.386 8.347 1.00 0.00 N ATOM 748 CA GLY A 52 5.888 0.275 8.141 1.00 0.00 C ATOM 749 C GLY A 52 5.350 1.570 7.539 1.00 0.00 C ATOM 750 O GLY A 52 4.297 2.041 7.922 1.00 0.00 O ATOM 0 H GLY A 52 7.916 -0.348 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.667 -0.563 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.393 0.072 9.090 1.00 0.00 H new ATOM 754 N ASN A 53 6.092 2.118 6.604 1.00 0.00 N ATOM 755 CA ASN A 53 5.649 3.401 5.961 1.00 0.00 C ATOM 756 C ASN A 53 5.392 3.197 4.463 1.00 0.00 C ATOM 757 O ASN A 53 6.276 2.825 3.723 1.00 0.00 O ATOM 758 CB ASN A 53 6.738 4.455 6.149 1.00 0.00 C ATOM 759 CG ASN A 53 6.678 4.994 7.578 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.964 5.933 7.870 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.409 4.428 8.499 1.00 0.00 N ATOM 0 H ASN A 53 6.975 1.739 6.261 1.00 0.00 H new ATOM 0 HA ASN A 53 4.722 3.729 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.718 4.021 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.601 5.268 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.379 4.774 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.010 3.639 8.260 1.00 0.00 H new ATOM 768 N CYS A 54 4.183 3.457 4.052 1.00 0.00 N ATOM 769 CA CYS A 54 3.843 3.287 2.608 1.00 0.00 C ATOM 770 C CYS A 54 4.471 4.417 1.781 1.00 0.00 C ATOM 771 O CYS A 54 4.143 5.573 1.959 1.00 0.00 O ATOM 772 CB CYS A 54 2.323 3.321 2.456 1.00 0.00 C ATOM 773 SG CYS A 54 1.656 3.412 0.779 1.00 0.00 S ATOM 0 H CYS A 54 3.419 3.778 4.647 1.00 0.00 H new ATOM 0 HA CYS A 54 4.234 2.335 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.917 2.428 2.932 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.948 4.179 3.015 1.00 0.00 H new ATOM 778 N ILE A 55 5.359 4.055 0.888 1.00 0.00 N ATOM 779 CA ILE A 55 6.022 5.103 0.051 1.00 0.00 C ATOM 780 C ILE A 55 6.399 4.540 -1.327 1.00 0.00 C ATOM 781 O ILE A 55 6.609 3.355 -1.482 1.00 0.00 O ATOM 782 CB ILE A 55 7.287 5.579 0.765 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.182 4.367 1.053 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.901 6.249 2.085 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.422 4.825 1.824 1.00 0.00 C ATOM 0 H ILE A 55 5.650 3.095 0.704 1.00 0.00 H new ATOM 0 HA ILE A 55 5.330 5.933 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 55 7.821 6.293 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.633 3.625 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.477 3.888 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.801 6.590 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.253 7.102 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.374 5.533 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.060 3.966 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.973 5.552 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.117 5.284 2.764 1.00 0.00 H new ATOM 797 N LYS A 56 6.481 5.415 -2.294 1.00 0.00 N ATOM 798 CA LYS A 56 6.843 4.968 -3.677 1.00 0.00 C ATOM 799 C LYS A 56 8.064 4.037 -3.656 1.00 0.00 C ATOM 800 O LYS A 56 8.807 3.997 -2.696 1.00 0.00 O ATOM 801 CB LYS A 56 7.168 6.196 -4.528 1.00 0.00 C ATOM 802 CG LYS A 56 5.938 7.099 -4.596 1.00 0.00 C ATOM 803 CD LYS A 56 6.361 8.492 -5.065 1.00 0.00 C ATOM 804 CE LYS A 56 5.126 9.393 -5.138 1.00 0.00 C ATOM 805 NZ LYS A 56 4.829 9.758 -6.553 1.00 0.00 N ATOM 0 H LYS A 56 6.314 6.416 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 56 5.998 4.422 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.009 6.739 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.465 5.890 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.202 6.680 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.463 7.161 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.094 8.914 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.840 8.430 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.269 8.881 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.292 10.296 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.988 10.369 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.641 10.265 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.650 8.894 -7.104 1.00 0.00 H new ATOM 819 N PHE A 57 8.239 3.312 -4.731 1.00 0.00 N ATOM 820 CA PHE A 57 9.406 2.378 -4.819 1.00 0.00 C ATOM 821 C PHE A 57 10.706 3.178 -4.969 1.00 0.00 C ATOM 822 O PHE A 57 11.738 2.793 -4.459 1.00 0.00 O ATOM 823 CB PHE A 57 9.220 1.479 -6.044 1.00 0.00 C ATOM 824 CG PHE A 57 9.613 0.038 -5.705 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.885 -0.254 -5.243 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.700 -0.996 -5.857 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.239 -1.552 -4.941 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.057 -2.294 -5.554 1.00 0.00 C ATOM 829 CZ PHE A 57 10.325 -2.571 -5.096 1.00 0.00 C ATOM 0 H PHE A 57 7.629 3.325 -5.548 1.00 0.00 H new ATOM 0 HA PHE A 57 9.464 1.775 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.182 1.513 -6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.830 1.846 -6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.605 0.541 -5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.703 -0.783 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.234 -1.770 -4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.341 -3.093 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.603 -3.587 -4.858 1.00 0.00 H new ATOM 839 N GLU A 58 10.625 4.280 -5.669 1.00 0.00 N ATOM 840 CA GLU A 58 11.846 5.117 -5.872 1.00 0.00 C ATOM 841 C GLU A 58 12.217 5.852 -4.577 1.00 0.00 C ATOM 842 O GLU A 58 13.333 6.302 -4.415 1.00 0.00 O ATOM 843 CB GLU A 58 11.571 6.139 -6.975 1.00 0.00 C ATOM 844 CG GLU A 58 12.810 6.259 -7.866 1.00 0.00 C ATOM 845 CD GLU A 58 12.615 7.414 -8.852 1.00 0.00 C ATOM 846 OE1 GLU A 58 12.248 8.475 -8.376 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.846 7.169 -10.025 1.00 0.00 O ATOM 0 H GLU A 58 9.774 4.635 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 58 12.677 4.471 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.710 5.830 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.327 7.107 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.696 6.433 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.974 5.327 -8.407 1.00 0.00 H new ATOM 854 N ASP A 59 11.272 5.958 -3.684 1.00 0.00 N ATOM 855 CA ASP A 59 11.559 6.660 -2.398 1.00 0.00 C ATOM 856 C ASP A 59 12.106 5.665 -1.374 1.00 0.00 C ATOM 857 O ASP A 59 12.037 5.892 -0.181 1.00 0.00 O ATOM 858 CB ASP A 59 10.267 7.281 -1.868 1.00 0.00 C ATOM 859 CG ASP A 59 9.815 8.393 -2.815 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.040 8.218 -4.002 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.271 9.355 -2.299 1.00 0.00 O ATOM 0 H ASP A 59 10.324 5.594 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 59 12.301 7.440 -2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.491 6.520 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.427 7.682 -0.867 1.00 0.00 H new ATOM 866 N CYS A 60 12.637 4.583 -1.865 1.00 0.00 N ATOM 867 CA CYS A 60 13.191 3.550 -0.942 1.00 0.00 C ATOM 868 C CYS A 60 14.551 4.014 -0.372 1.00 0.00 C ATOM 869 O CYS A 60 15.184 4.892 -0.924 1.00 0.00 O ATOM 870 CB CYS A 60 13.384 2.257 -1.727 1.00 0.00 C ATOM 871 SG CYS A 60 12.188 0.935 -1.448 1.00 0.00 S ATOM 0 H CYS A 60 12.713 4.367 -2.859 1.00 0.00 H new ATOM 0 HA CYS A 60 12.502 3.393 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.374 2.502 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.376 1.868 -1.498 1.00 0.00 H new