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= 0.18 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.78 X(o=-3.8,f=-4.2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 13 THR OG1 : rot -168:sc= 0.313 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.626! USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0179 (180deg=-0.207) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.608 (180deg=-1.27) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= 0.812 F(o=0,f=0.81) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.42 F(o=-2.5!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.022 10.206 -0.857 1.00 0.00 N ATOM 66 CA CYS A 5 -6.996 10.475 0.610 1.00 0.00 C ATOM 67 C CYS A 5 -6.167 11.725 0.905 1.00 0.00 C ATOM 68 O CYS A 5 -5.913 12.529 0.028 1.00 0.00 O ATOM 69 CB CYS A 5 -6.382 9.277 1.332 1.00 0.00 C ATOM 70 SG CYS A 5 -6.898 7.626 0.792 1.00 0.00 S ATOM 0 HA CYS A 5 -8.016 10.637 0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.299 9.341 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.609 9.371 2.394 1.00 0.00 H new ATOM 75 N THR A 6 -5.766 11.861 2.133 1.00 0.00 N ATOM 76 CA THR A 6 -4.957 13.054 2.518 1.00 0.00 C ATOM 77 C THR A 6 -3.529 12.946 1.963 1.00 0.00 C ATOM 78 O THR A 6 -3.222 13.491 0.922 1.00 0.00 O ATOM 79 CB THR A 6 -4.905 13.147 4.043 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.995 11.798 4.491 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.143 13.843 4.604 1.00 0.00 C ATOM 0 H THR A 6 -5.960 11.203 2.888 1.00 0.00 H new ATOM 0 HA THR A 6 -5.422 13.947 2.101 1.00 0.00 H new ATOM 0 HB THR A 6 -4.012 13.690 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.966 11.776 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.072 13.891 5.691 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.207 14.853 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.034 13.282 4.323 1.00 0.00 H new ATOM 89 N LYS A 7 -2.690 12.245 2.675 1.00 0.00 N ATOM 90 CA LYS A 7 -1.274 12.103 2.217 1.00 0.00 C ATOM 91 C LYS A 7 -1.188 11.120 1.019 1.00 0.00 C ATOM 92 O LYS A 7 -2.047 10.279 0.851 1.00 0.00 O ATOM 93 CB LYS A 7 -0.448 11.561 3.387 1.00 0.00 C ATOM 94 CG LYS A 7 0.143 12.734 4.179 1.00 0.00 C ATOM 95 CD LYS A 7 0.405 12.288 5.619 1.00 0.00 C ATOM 96 CE LYS A 7 -0.815 12.623 6.480 1.00 0.00 C ATOM 97 NZ LYS A 7 -0.641 12.093 7.862 1.00 0.00 N ATOM 0 H LYS A 7 -2.918 11.767 3.547 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.892 13.071 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.074 10.948 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.351 10.919 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.070 13.071 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.545 13.580 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.604 11.217 5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.290 12.788 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.958 13.703 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.712 12.197 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.478 12.329 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.527 11.060 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.204 12.519 8.294 1.00 0.00 H new ATOM 111 N PRO A 8 -0.137 11.249 0.204 1.00 0.00 N ATOM 112 CA PRO A 8 0.050 10.358 -0.957 1.00 0.00 C ATOM 113 C PRO A 8 0.108 8.890 -0.513 1.00 0.00 C ATOM 114 O PRO A 8 -0.101 8.584 0.643 1.00 0.00 O ATOM 115 CB PRO A 8 1.384 10.784 -1.584 1.00 0.00 C ATOM 116 CG PRO A 8 1.972 11.924 -0.701 1.00 0.00 C ATOM 117 CD PRO A 8 0.920 12.267 0.369 1.00 0.00 C ATOM 0 HA PRO A 8 -0.776 10.437 -1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.073 9.941 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.234 11.130 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.904 11.606 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.202 12.800 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.349 12.232 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.525 13.273 0.226 1.00 0.00 H new ATOM 125 N ASN A 9 0.389 8.017 -1.448 1.00 0.00 N ATOM 126 CA ASN A 9 0.456 6.560 -1.107 1.00 0.00 C ATOM 127 C ASN A 9 -0.892 6.091 -0.555 1.00 0.00 C ATOM 128 O ASN A 9 -1.659 5.454 -1.250 1.00 0.00 O ATOM 129 CB ASN A 9 1.559 6.319 -0.066 1.00 0.00 C ATOM 130 CG ASN A 9 2.840 7.053 -0.483 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.713 6.496 -1.126 1.00 0.00 O ATOM 132 ND2 ASN A 9 2.994 8.299 -0.132 1.00 0.00 N ATOM 0 H ASN A 9 0.574 8.246 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 9 0.687 5.993 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.231 6.670 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.756 5.251 0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.841 8.802 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.267 8.771 0.406 1.00 0.00 H new ATOM 139 N GLU A 10 -1.155 6.408 0.681 1.00 0.00 N ATOM 140 CA GLU A 10 -2.454 5.990 1.275 1.00 0.00 C ATOM 141 C GLU A 10 -3.599 6.382 0.340 1.00 0.00 C ATOM 142 O GLU A 10 -4.117 7.478 0.418 1.00 0.00 O ATOM 143 CB GLU A 10 -2.636 6.685 2.623 1.00 0.00 C ATOM 144 CG GLU A 10 -1.599 6.148 3.608 1.00 0.00 C ATOM 145 CD GLU A 10 -1.804 6.813 4.972 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.306 7.926 4.960 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.450 6.170 5.946 1.00 0.00 O ATOM 0 H GLU A 10 -0.535 6.932 1.299 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.459 4.909 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.522 7.763 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.642 6.509 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.694 5.066 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.593 6.349 3.240 1.00 0.00 H new ATOM 154 N GLN A 11 -3.968 5.473 -0.529 1.00 0.00 N ATOM 155 CA GLN A 11 -5.078 5.763 -1.487 1.00 0.00 C ATOM 156 C GLN A 11 -6.187 4.731 -1.306 1.00 0.00 C ATOM 157 O GLN A 11 -5.952 3.643 -0.820 1.00 0.00 O ATOM 158 CB GLN A 11 -4.543 5.703 -2.918 1.00 0.00 C ATOM 159 CG GLN A 11 -5.186 6.819 -3.745 1.00 0.00 C ATOM 160 CD GLN A 11 -4.668 6.742 -5.184 1.00 0.00 C ATOM 161 OE1 GLN A 11 -3.485 6.605 -5.423 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.520 6.828 -6.169 1.00 0.00 N ATOM 0 H GLN A 11 -3.550 4.547 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.478 6.758 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.459 5.813 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.765 4.732 -3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.271 6.719 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.949 7.791 -3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.515 6.943 -5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.191 6.780 -7.133 1.00 0.00 H new ATOM 171 N TRP A 12 -7.369 5.088 -1.699 1.00 0.00 N ATOM 172 CA TRP A 12 -8.506 4.144 -1.536 1.00 0.00 C ATOM 173 C TRP A 12 -8.198 2.788 -2.152 1.00 0.00 C ATOM 174 O TRP A 12 -7.587 2.696 -3.198 1.00 0.00 O ATOM 175 CB TRP A 12 -9.736 4.707 -2.224 1.00 0.00 C ATOM 176 CG TRP A 12 -10.862 3.678 -2.122 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.234 2.856 -3.104 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.608 3.502 -1.062 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.264 2.175 -2.569 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.565 2.530 -1.276 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.522 4.131 0.160 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.443 2.198 -0.271 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.395 3.796 1.170 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.359 2.829 0.955 1.00 0.00 C ATOM 0 H TRP A 12 -7.601 5.986 -2.124 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.679 4.018 -0.467 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.036 5.645 -1.756 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.518 4.928 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.810 2.760 -4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.777 1.457 -3.080 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.769 4.887 0.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.198 1.444 -0.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.327 4.288 2.129 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.047 2.567 1.746 1.00 0.00 H new ATOM 195 N THR A 13 -8.634 1.758 -1.486 1.00 0.00 N ATOM 196 CA THR A 13 -8.419 0.397 -2.031 1.00 0.00 C ATOM 197 C THR A 13 -9.579 -0.511 -1.619 1.00 0.00 C ATOM 198 O THR A 13 -9.854 -0.683 -0.448 1.00 0.00 O ATOM 199 CB THR A 13 -7.099 -0.177 -1.506 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.250 -1.588 -1.624 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.914 0.082 -0.014 1.00 0.00 C ATOM 0 H THR A 13 -9.127 1.801 -0.594 1.00 0.00 H new ATOM 0 HA THR A 13 -8.372 0.452 -3.119 1.00 0.00 H new ATOM 0 HB THR A 13 -6.264 0.263 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.527 -2.036 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.965 -0.342 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.915 1.156 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.730 -0.382 0.540 1.00 0.00 H new ATOM 209 N LYS A 14 -10.249 -1.063 -2.586 1.00 0.00 N ATOM 210 CA LYS A 14 -11.385 -1.958 -2.255 1.00 0.00 C ATOM 211 C LYS A 14 -10.867 -3.222 -1.557 1.00 0.00 C ATOM 212 O LYS A 14 -11.633 -4.000 -1.025 1.00 0.00 O ATOM 213 CB LYS A 14 -12.114 -2.324 -3.542 1.00 0.00 C ATOM 214 CG LYS A 14 -12.497 -1.037 -4.270 1.00 0.00 C ATOM 215 CD LYS A 14 -13.896 -1.191 -4.863 1.00 0.00 C ATOM 216 CE LYS A 14 -13.910 -2.383 -5.821 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.605 -2.025 -7.088 1.00 0.00 N ATOM 0 H LYS A 14 -10.062 -0.935 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.074 -1.450 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.476 -2.941 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.005 -2.911 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.473 -0.194 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.776 -0.824 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.626 -1.340 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.182 -0.282 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.888 -2.697 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.411 -3.229 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.606 -2.845 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.585 -1.748 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.110 -1.232 -7.543 1.00 0.00 H new ATOM 231 N CYS A 15 -9.571 -3.395 -1.578 1.00 0.00 N ATOM 232 CA CYS A 15 -8.973 -4.586 -0.911 1.00 0.00 C ATOM 233 C CYS A 15 -7.617 -4.222 -0.297 1.00 0.00 C ATOM 234 O CYS A 15 -6.615 -4.173 -0.984 1.00 0.00 O ATOM 235 CB CYS A 15 -8.772 -5.689 -1.941 1.00 0.00 C ATOM 236 SG CYS A 15 -7.318 -6.756 -1.737 1.00 0.00 S ATOM 0 H CYS A 15 -8.905 -2.766 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.644 -4.926 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.659 -6.322 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.716 -5.226 -2.926 1.00 0.00 H new ATOM 241 N GLY A 16 -7.611 -3.977 0.983 1.00 0.00 N ATOM 242 CA GLY A 16 -6.328 -3.620 1.649 1.00 0.00 C ATOM 243 C GLY A 16 -5.563 -4.887 2.033 1.00 0.00 C ATOM 244 O GLY A 16 -5.669 -5.903 1.374 1.00 0.00 O ATOM 0 H GLY A 16 -8.429 -4.008 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.721 -3.008 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.526 -3.022 2.539 1.00 0.00 H new ATOM 248 N GLY A 17 -4.808 -4.799 3.100 1.00 0.00 N ATOM 249 CA GLY A 17 -4.026 -5.986 3.556 1.00 0.00 C ATOM 250 C GLY A 17 -2.547 -5.816 3.214 1.00 0.00 C ATOM 251 O GLY A 17 -1.964 -4.782 3.469 1.00 0.00 O ATOM 0 H GLY A 17 -4.700 -3.961 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.144 -6.115 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.414 -6.888 3.082 1.00 0.00 H new ATOM 255 N CYS A 18 -1.970 -6.836 2.642 1.00 0.00 N ATOM 256 CA CYS A 18 -0.528 -6.750 2.277 1.00 0.00 C ATOM 257 C CYS A 18 -0.370 -6.081 0.910 1.00 0.00 C ATOM 258 O CYS A 18 -1.313 -5.994 0.146 1.00 0.00 O ATOM 259 CB CYS A 18 0.059 -8.160 2.225 1.00 0.00 C ATOM 260 SG CYS A 18 -0.602 -9.378 3.391 1.00 0.00 S ATOM 0 H CYS A 18 -2.429 -7.718 2.413 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.002 -6.155 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.083 -8.547 1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.134 -8.084 2.389 1.00 0.00 H new ATOM 265 N GLU A 19 0.818 -5.619 0.634 1.00 0.00 N ATOM 266 CA GLU A 19 1.063 -4.951 -0.679 1.00 0.00 C ATOM 267 C GLU A 19 2.433 -5.360 -1.224 1.00 0.00 C ATOM 268 O GLU A 19 2.899 -6.455 -0.980 1.00 0.00 O ATOM 269 CB GLU A 19 1.023 -3.436 -0.483 1.00 0.00 C ATOM 270 CG GLU A 19 0.474 -2.782 -1.753 1.00 0.00 C ATOM 271 CD GLU A 19 -1.052 -2.919 -1.775 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.633 -2.667 -0.733 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.548 -3.264 -2.834 1.00 0.00 O ATOM 0 H GLU A 19 1.626 -5.673 1.254 1.00 0.00 H new ATOM 0 HA GLU A 19 0.294 -5.253 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.395 -3.184 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.022 -3.058 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.756 -1.730 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.906 -3.255 -2.635 1.00 0.00 H new ATOM 280 N GLY A 20 3.048 -4.474 -1.954 1.00 0.00 N ATOM 281 CA GLY A 20 4.384 -4.801 -2.519 1.00 0.00 C ATOM 282 C GLY A 20 5.491 -4.335 -1.573 1.00 0.00 C ATOM 283 O GLY A 20 5.236 -3.622 -0.623 1.00 0.00 O ATOM 0 H GLY A 20 2.688 -3.547 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.464 -5.876 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.502 -4.322 -3.491 1.00 0.00 H new ATOM 287 N THR A 21 6.697 -4.760 -1.853 1.00 0.00 N ATOM 288 CA THR A 21 7.849 -4.352 -0.994 1.00 0.00 C ATOM 289 C THR A 21 8.982 -3.830 -1.877 1.00 0.00 C ATOM 290 O THR A 21 8.860 -3.792 -3.083 1.00 0.00 O ATOM 291 CB THR A 21 8.336 -5.565 -0.196 1.00 0.00 C ATOM 292 OG1 THR A 21 9.115 -6.319 -1.121 1.00 0.00 O ATOM 293 CG2 THR A 21 7.178 -6.480 0.195 1.00 0.00 C ATOM 0 H THR A 21 6.933 -5.369 -2.636 1.00 0.00 H new ATOM 0 HA THR A 21 7.536 -3.565 -0.307 1.00 0.00 H new ATOM 0 HB THR A 21 8.857 -5.234 0.703 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.594 -7.028 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.561 -7.330 0.760 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.468 -5.926 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.677 -6.838 -0.705 1.00 0.00 H new ATOM 301 N CYS A 22 10.063 -3.442 -1.262 1.00 0.00 N ATOM 302 CA CYS A 22 11.200 -2.922 -2.067 1.00 0.00 C ATOM 303 C CYS A 22 11.891 -4.082 -2.777 1.00 0.00 C ATOM 304 O CYS A 22 12.888 -3.903 -3.451 1.00 0.00 O ATOM 305 CB CYS A 22 12.190 -2.222 -1.145 1.00 0.00 C ATOM 306 SG CYS A 22 13.268 -0.979 -1.882 1.00 0.00 S ATOM 0 H CYS A 22 10.208 -3.462 -0.252 1.00 0.00 H new ATOM 0 HA CYS A 22 10.832 -2.214 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.626 -1.746 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.819 -2.984 -0.684 1.00 0.00 H new ATOM 311 N ALA A 23 11.344 -5.252 -2.606 1.00 0.00 N ATOM 312 CA ALA A 23 11.949 -6.447 -3.254 1.00 0.00 C ATOM 313 C ALA A 23 10.861 -7.442 -3.684 1.00 0.00 C ATOM 314 O ALA A 23 11.158 -8.507 -4.186 1.00 0.00 O ATOM 315 CB ALA A 23 12.885 -7.118 -2.254 1.00 0.00 C ATOM 0 H ALA A 23 10.509 -5.432 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 23 12.498 -6.135 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.338 -7.997 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.667 -6.418 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.320 -7.420 -1.372 1.00 0.00 H new ATOM 321 N GLN A 24 9.622 -7.074 -3.479 1.00 0.00 N ATOM 322 CA GLN A 24 8.512 -7.996 -3.869 1.00 0.00 C ATOM 323 C GLN A 24 7.253 -7.196 -4.212 1.00 0.00 C ATOM 324 O GLN A 24 6.414 -6.966 -3.366 1.00 0.00 O ATOM 325 CB GLN A 24 8.204 -8.938 -2.701 1.00 0.00 C ATOM 326 CG GLN A 24 9.298 -10.005 -2.597 1.00 0.00 C ATOM 327 CD GLN A 24 8.881 -11.051 -1.559 1.00 0.00 C ATOM 328 OE1 GLN A 24 8.875 -10.792 -0.371 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.529 -12.239 -1.963 1.00 0.00 N ATOM 0 H GLN A 24 9.333 -6.188 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 24 8.819 -8.570 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.144 -8.373 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.233 -9.411 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.455 -10.479 -3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.244 -9.547 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.532 -12.461 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.250 -12.947 -1.284 1.00 0.00 H new ATOM 338 N LYS A 25 7.146 -6.787 -5.447 1.00 0.00 N ATOM 339 CA LYS A 25 5.938 -6.006 -5.854 1.00 0.00 C ATOM 340 C LYS A 25 4.674 -6.682 -5.308 1.00 0.00 C ATOM 341 O LYS A 25 3.744 -6.018 -4.896 1.00 0.00 O ATOM 342 CB LYS A 25 5.876 -5.946 -7.383 1.00 0.00 C ATOM 343 CG LYS A 25 4.809 -4.931 -7.811 1.00 0.00 C ATOM 344 CD LYS A 25 5.445 -3.542 -7.920 1.00 0.00 C ATOM 345 CE LYS A 25 5.979 -3.344 -9.340 1.00 0.00 C ATOM 346 NZ LYS A 25 4.855 -3.103 -10.290 1.00 0.00 N ATOM 0 H LYS A 25 7.831 -6.955 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 25 6.000 -4.996 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.848 -5.660 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.640 -6.930 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.378 -5.222 -8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.995 -4.915 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.710 -2.773 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.254 -3.442 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.669 -2.500 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.542 -4.224 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.214 -2.615 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.434 -4.013 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.132 -2.513 -9.830 1.00 0.00 H new ATOM 360 N ILE A 26 4.675 -7.992 -5.322 1.00 0.00 N ATOM 361 CA ILE A 26 3.490 -8.750 -4.803 1.00 0.00 C ATOM 362 C ILE A 26 3.934 -9.707 -3.694 1.00 0.00 C ATOM 363 O ILE A 26 4.590 -10.698 -3.950 1.00 0.00 O ATOM 364 CB ILE A 26 2.869 -9.558 -5.950 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.381 -8.607 -7.068 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.694 -10.384 -5.415 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.370 -7.583 -6.518 1.00 0.00 C ATOM 0 H ILE A 26 5.441 -8.569 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 26 2.757 -8.049 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 26 3.622 -10.228 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.233 -8.085 -7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.919 -9.186 -7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.252 -10.958 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.050 -11.065 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.943 -9.717 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.042 -6.926 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.509 -8.108 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.843 -6.989 -5.736 1.00 0.00 H new ATOM 379 N VAL A 27 3.566 -9.393 -2.482 1.00 0.00 N ATOM 380 CA VAL A 27 3.965 -10.274 -1.346 1.00 0.00 C ATOM 381 C VAL A 27 2.838 -11.314 -1.051 1.00 0.00 C ATOM 382 O VAL A 27 1.708 -10.925 -0.826 1.00 0.00 O ATOM 383 CB VAL A 27 4.173 -9.402 -0.106 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.823 -8.845 0.351 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.775 -10.251 1.014 1.00 0.00 C ATOM 0 H VAL A 27 3.013 -8.574 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 27 4.882 -10.805 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 27 4.848 -8.580 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.966 -8.223 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.387 -8.245 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.152 -9.669 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.925 -9.633 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.097 -11.070 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.733 -10.656 0.689 1.00 0.00 H new ATOM 395 N PRO A 28 3.149 -12.619 -1.055 1.00 0.00 N ATOM 396 CA PRO A 28 2.123 -13.635 -0.773 1.00 0.00 C ATOM 397 C PRO A 28 1.561 -13.452 0.642 1.00 0.00 C ATOM 398 O PRO A 28 2.252 -12.995 1.531 1.00 0.00 O ATOM 399 CB PRO A 28 2.836 -14.985 -0.890 1.00 0.00 C ATOM 400 CG PRO A 28 4.332 -14.697 -1.212 1.00 0.00 C ATOM 401 CD PRO A 28 4.494 -13.172 -1.333 1.00 0.00 C ATOM 0 HA PRO A 28 1.283 -13.559 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.745 -15.548 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.384 -15.591 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.976 -15.090 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.626 -15.189 -2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.230 -12.796 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.839 -12.890 -2.328 1.00 0.00 H new ATOM 409 N CYS A 29 0.321 -13.813 0.821 1.00 0.00 N ATOM 410 CA CYS A 29 -0.293 -13.664 2.170 1.00 0.00 C ATOM 411 C CYS A 29 -1.498 -14.598 2.310 1.00 0.00 C ATOM 412 O CYS A 29 -2.417 -14.554 1.516 1.00 0.00 O ATOM 413 CB CYS A 29 -0.743 -12.217 2.358 1.00 0.00 C ATOM 414 SG CYS A 29 0.469 -11.049 3.020 1.00 0.00 S ATOM 0 H CYS A 29 -0.288 -14.201 0.101 1.00 0.00 H new ATOM 0 HA CYS A 29 0.443 -13.925 2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.081 -11.841 1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.608 -12.217 3.021 1.00 0.00 H new ATOM 419 N THR A 30 -1.467 -15.424 3.321 1.00 0.00 N ATOM 420 CA THR A 30 -2.604 -16.366 3.530 1.00 0.00 C ATOM 421 C THR A 30 -3.890 -15.582 3.819 1.00 0.00 C ATOM 422 O THR A 30 -4.966 -16.145 3.864 1.00 0.00 O ATOM 423 CB THR A 30 -2.285 -17.283 4.715 1.00 0.00 C ATOM 424 OG1 THR A 30 -2.001 -16.396 5.793 1.00 0.00 O ATOM 425 CG2 THR A 30 -0.994 -18.065 4.485 1.00 0.00 C ATOM 0 H THR A 30 -0.712 -15.488 4.004 1.00 0.00 H new ATOM 0 HA THR A 30 -2.749 -16.963 2.629 1.00 0.00 H new ATOM 0 HB THR A 30 -3.107 -17.980 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.787 -16.915 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.798 -18.705 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.095 -18.680 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.165 -17.369 4.355 1.00 0.00 H new ATOM 433 N ARG A 31 -3.747 -14.298 4.005 1.00 0.00 N ATOM 434 CA ARG A 31 -4.949 -13.459 4.288 1.00 0.00 C ATOM 435 C ARG A 31 -5.800 -13.315 3.021 1.00 0.00 C ATOM 436 O ARG A 31 -5.636 -14.065 2.077 1.00 0.00 O ATOM 437 CB ARG A 31 -4.493 -12.080 4.765 1.00 0.00 C ATOM 438 CG ARG A 31 -3.857 -12.216 6.152 1.00 0.00 C ATOM 439 CD ARG A 31 -2.495 -11.522 6.152 1.00 0.00 C ATOM 440 NE ARG A 31 -1.904 -11.621 7.515 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.359 -10.857 8.468 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.467 -11.193 9.072 1.00 0.00 N ATOM 443 NH2 ARG A 31 -1.692 -9.780 8.786 1.00 0.00 N ATOM 0 H ARG A 31 -2.859 -13.796 3.974 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.551 -13.936 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.776 -11.657 4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.341 -11.396 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.505 -11.771 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.742 -13.269 6.411 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.835 -11.987 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.604 -10.477 5.863 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.149 -12.281 7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.961 -12.041 8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.838 -10.607 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.831 -9.549 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.033 -9.170 9.529 1.00 0.00 H new ATOM 457 N GLU A 32 -6.693 -12.354 3.029 1.00 0.00 N ATOM 458 CA GLU A 32 -7.571 -12.143 1.834 1.00 0.00 C ATOM 459 C GLU A 32 -7.494 -10.685 1.371 1.00 0.00 C ATOM 460 O GLU A 32 -6.805 -10.367 0.423 1.00 0.00 O ATOM 461 CB GLU A 32 -9.012 -12.476 2.215 1.00 0.00 C ATOM 462 CG GLU A 32 -9.125 -13.975 2.502 1.00 0.00 C ATOM 463 CD GLU A 32 -9.419 -14.719 1.199 1.00 0.00 C ATOM 464 OE1 GLU A 32 -10.453 -14.419 0.627 1.00 0.00 O ATOM 465 OE2 GLU A 32 -8.591 -15.546 0.848 1.00 0.00 O ATOM 0 H GLU A 32 -6.851 -11.711 3.805 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.236 -12.789 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.310 -11.902 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.688 -12.197 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.199 -14.343 2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.918 -14.159 3.226 1.00 0.00 H new ATOM 472 N CYS A 33 -8.207 -9.833 2.052 1.00 0.00 N ATOM 473 CA CYS A 33 -8.198 -8.390 1.665 1.00 0.00 C ATOM 474 C CYS A 33 -8.882 -7.547 2.748 1.00 0.00 C ATOM 475 O CYS A 33 -10.079 -7.637 2.937 1.00 0.00 O ATOM 476 CB CYS A 33 -8.960 -8.222 0.348 1.00 0.00 C ATOM 477 SG CYS A 33 -8.068 -8.552 -1.192 1.00 0.00 S ATOM 0 H CYS A 33 -8.792 -10.068 2.854 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.166 -8.057 1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.830 -8.878 0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.334 -7.199 0.306 1.00 0.00 H new ATOM 482 N LYS A 34 -8.114 -6.746 3.437 1.00 0.00 N ATOM 483 CA LYS A 34 -8.727 -5.895 4.500 1.00 0.00 C ATOM 484 C LYS A 34 -9.948 -5.158 3.909 1.00 0.00 C ATOM 485 O LYS A 34 -10.037 -4.988 2.709 1.00 0.00 O ATOM 486 CB LYS A 34 -7.695 -4.875 4.979 1.00 0.00 C ATOM 487 CG LYS A 34 -7.050 -5.375 6.272 1.00 0.00 C ATOM 488 CD LYS A 34 -5.982 -4.373 6.716 1.00 0.00 C ATOM 489 CE LYS A 34 -5.592 -4.662 8.166 1.00 0.00 C ATOM 490 NZ LYS A 34 -5.947 -6.060 8.533 1.00 0.00 N ATOM 0 H LYS A 34 -7.107 -6.644 3.314 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.044 -6.513 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.933 -4.725 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.172 -3.910 5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.805 -5.490 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.603 -6.357 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.107 -4.446 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.361 -3.355 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.521 -4.506 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.101 -3.965 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.472 -6.317 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.977 -6.136 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.640 -6.706 7.778 1.00 0.00 H new ATOM 504 N PRO A 35 -10.872 -4.731 4.757 1.00 0.00 N ATOM 505 CA PRO A 35 -12.059 -4.018 4.275 1.00 0.00 C ATOM 506 C PRO A 35 -11.641 -2.766 3.465 1.00 0.00 C ATOM 507 O PRO A 35 -10.525 -2.301 3.581 1.00 0.00 O ATOM 508 CB PRO A 35 -12.826 -3.606 5.539 1.00 0.00 C ATOM 509 CG PRO A 35 -12.018 -4.131 6.764 1.00 0.00 C ATOM 510 CD PRO A 35 -10.808 -4.913 6.219 1.00 0.00 C ATOM 0 HA PRO A 35 -12.667 -4.637 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.935 -2.522 5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.831 -4.027 5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.688 -3.302 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.640 -4.773 7.387 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.872 -4.528 6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.864 -5.967 6.490 1.00 0.00 H new ATOM 518 N PRO A 36 -12.552 -2.247 2.657 1.00 0.00 N ATOM 519 CA PRO A 36 -12.272 -1.050 1.847 1.00 0.00 C ATOM 520 C PRO A 36 -11.818 0.119 2.729 1.00 0.00 C ATOM 521 O PRO A 36 -12.484 0.479 3.679 1.00 0.00 O ATOM 522 CB PRO A 36 -13.599 -0.708 1.167 1.00 0.00 C ATOM 523 CG PRO A 36 -14.632 -1.800 1.572 1.00 0.00 C ATOM 524 CD PRO A 36 -13.910 -2.797 2.494 1.00 0.00 C ATOM 0 HA PRO A 36 -11.471 -1.232 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.944 0.279 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.478 -0.679 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.484 -1.352 2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.021 -2.307 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.418 -2.886 3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.882 -3.794 2.054 1.00 0.00 H new ATOM 532 N ARG A 37 -10.690 0.691 2.389 1.00 0.00 N ATOM 533 CA ARG A 37 -10.173 1.842 3.194 1.00 0.00 C ATOM 534 C ARG A 37 -8.909 2.416 2.542 1.00 0.00 C ATOM 535 O ARG A 37 -8.343 1.818 1.650 1.00 0.00 O ATOM 536 CB ARG A 37 -9.826 1.363 4.609 1.00 0.00 C ATOM 537 CG ARG A 37 -10.014 2.519 5.592 1.00 0.00 C ATOM 538 CD ARG A 37 -9.620 2.051 6.995 1.00 0.00 C ATOM 539 NE ARG A 37 -8.266 2.581 7.319 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.113 3.860 7.521 1.00 0.00 C ATOM 541 NH1 ARG A 37 -9.149 4.647 7.415 1.00 0.00 N ATOM 542 NH2 ARG A 37 -6.926 4.312 7.822 1.00 0.00 N ATOM 0 H ARG A 37 -10.109 0.415 1.597 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.942 2.613 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.464 0.525 4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.797 1.005 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.402 3.370 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.051 2.854 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.347 2.402 7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.620 0.962 7.043 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.467 1.950 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.062 4.259 7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.046 5.650 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.139 3.668 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.786 5.309 7.984 1.00 0.00 H new ATOM 556 N CYS A 38 -8.508 3.576 2.988 1.00 0.00 N ATOM 557 CA CYS A 38 -7.261 4.188 2.427 1.00 0.00 C ATOM 558 C CYS A 38 -6.051 3.317 2.792 1.00 0.00 C ATOM 559 O CYS A 38 -5.841 3.005 3.947 1.00 0.00 O ATOM 560 CB CYS A 38 -7.077 5.586 3.020 1.00 0.00 C ATOM 561 SG CYS A 38 -8.048 6.936 2.302 1.00 0.00 S ATOM 0 H CYS A 38 -8.980 4.123 3.707 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.344 4.255 1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.310 5.533 4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.023 5.850 2.938 1.00 0.00 H new ATOM 566 N GLU A 39 -5.278 2.939 1.805 1.00 0.00 N ATOM 567 CA GLU A 39 -4.088 2.079 2.110 1.00 0.00 C ATOM 568 C GLU A 39 -3.076 2.094 0.954 1.00 0.00 C ATOM 569 O GLU A 39 -3.142 2.927 0.074 1.00 0.00 O ATOM 570 CB GLU A 39 -4.560 0.646 2.359 1.00 0.00 C ATOM 571 CG GLU A 39 -4.037 0.175 3.720 1.00 0.00 C ATOM 572 CD GLU A 39 -4.513 -1.256 3.978 1.00 0.00 C ATOM 573 OE1 GLU A 39 -5.718 -1.415 4.084 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.645 -2.109 4.057 1.00 0.00 O ATOM 0 H GLU A 39 -5.412 3.180 0.823 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.592 2.475 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.649 0.600 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.198 -0.012 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.948 0.217 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.395 0.837 4.509 1.00 0.00 H new ATOM 581 N CYS A 40 -2.161 1.157 0.993 1.00 0.00 N ATOM 582 CA CYS A 40 -1.113 1.088 -0.077 1.00 0.00 C ATOM 583 C CYS A 40 -1.664 0.431 -1.350 1.00 0.00 C ATOM 584 O CYS A 40 -2.680 -0.235 -1.320 1.00 0.00 O ATOM 585 CB CYS A 40 0.064 0.269 0.442 1.00 0.00 C ATOM 586 SG CYS A 40 1.711 0.716 -0.153 1.00 0.00 S ATOM 0 H CYS A 40 -2.093 0.440 1.715 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.797 2.102 -0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.068 0.337 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.114 -0.776 0.188 1.00 0.00 H new ATOM 591 N ILE A 41 -0.960 0.629 -2.441 1.00 0.00 N ATOM 592 CA ILE A 41 -1.412 0.038 -3.740 1.00 0.00 C ATOM 593 C ILE A 41 -0.211 -0.532 -4.510 1.00 0.00 C ATOM 594 O ILE A 41 0.655 0.202 -4.943 1.00 0.00 O ATOM 595 CB ILE A 41 -2.068 1.136 -4.581 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.198 1.784 -3.777 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.635 0.527 -5.867 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.666 3.053 -3.104 1.00 0.00 C ATOM 0 H ILE A 41 -0.097 1.171 -2.487 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.122 -0.765 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.325 1.891 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.035 2.027 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.573 1.088 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.102 1.310 -6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.829 0.066 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.379 -0.229 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.464 3.522 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.843 2.794 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.312 3.748 -3.866 1.00 0.00 H new ATOM 610 N ALA A 42 -0.193 -1.825 -4.678 1.00 0.00 N ATOM 611 CA ALA A 42 0.947 -2.450 -5.417 1.00 0.00 C ATOM 612 C ALA A 42 0.801 -2.215 -6.925 1.00 0.00 C ATOM 613 O ALA A 42 1.767 -1.933 -7.608 1.00 0.00 O ATOM 614 CB ALA A 42 0.958 -3.953 -5.140 1.00 0.00 C ATOM 0 H ALA A 42 -0.907 -2.471 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 42 1.880 -1.998 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.787 -4.416 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.076 -4.125 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.019 -4.392 -5.476 1.00 0.00 H new ATOM 620 N SER A 43 -0.403 -2.331 -7.410 1.00 0.00 N ATOM 621 CA SER A 43 -0.631 -2.134 -8.872 1.00 0.00 C ATOM 622 C SER A 43 -0.138 -0.753 -9.316 1.00 0.00 C ATOM 623 O SER A 43 -0.101 -0.458 -10.494 1.00 0.00 O ATOM 624 CB SER A 43 -2.123 -2.261 -9.169 1.00 0.00 C ATOM 625 OG SER A 43 -2.424 -3.612 -8.854 1.00 0.00 O ATOM 0 H SER A 43 -1.235 -2.552 -6.863 1.00 0.00 H new ATOM 0 HA SER A 43 -0.074 -2.894 -9.420 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.710 -1.570 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.342 -2.036 -10.213 1.00 0.00 H new ATOM 0 HG SER A 43 -3.375 -3.782 -9.016 1.00 0.00 H new ATOM 631 N ALA A 44 0.229 0.065 -8.364 1.00 0.00 N ATOM 632 CA ALA A 44 0.720 1.433 -8.722 1.00 0.00 C ATOM 633 C ALA A 44 2.247 1.478 -8.667 1.00 0.00 C ATOM 634 O ALA A 44 2.885 2.024 -9.546 1.00 0.00 O ATOM 635 CB ALA A 44 0.150 2.440 -7.733 1.00 0.00 C ATOM 0 H ALA A 44 0.212 -0.149 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 44 0.396 1.677 -9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.503 3.439 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.939 2.418 -7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.477 2.185 -6.725 1.00 0.00 H new ATOM 641 N GLY A 45 2.797 0.898 -7.632 1.00 0.00 N ATOM 642 CA GLY A 45 4.286 0.894 -7.489 1.00 0.00 C ATOM 643 C GLY A 45 4.694 1.283 -6.065 1.00 0.00 C ATOM 644 O GLY A 45 5.834 1.629 -5.815 1.00 0.00 O ATOM 0 H GLY A 45 2.285 0.430 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.677 -0.095 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.727 1.591 -8.202 1.00 0.00 H new ATOM 648 N PHE A 46 3.756 1.226 -5.157 1.00 0.00 N ATOM 649 CA PHE A 46 4.086 1.584 -3.747 1.00 0.00 C ATOM 650 C PHE A 46 4.643 0.356 -3.018 1.00 0.00 C ATOM 651 O PHE A 46 4.338 -0.766 -3.373 1.00 0.00 O ATOM 652 CB PHE A 46 2.820 2.065 -3.037 1.00 0.00 C ATOM 653 CG PHE A 46 2.381 3.407 -3.626 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.978 4.586 -3.212 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.382 3.460 -4.582 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.577 5.796 -3.746 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.985 4.672 -5.112 1.00 0.00 C ATOM 658 CZ PHE A 46 1.583 5.836 -4.695 1.00 0.00 C ATOM 0 H PHE A 46 2.789 0.951 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 46 4.834 2.377 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.025 1.328 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.007 2.169 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.761 4.560 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.910 2.548 -4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.045 6.712 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.203 4.705 -5.856 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.273 6.782 -5.112 1.00 0.00 H new ATOM 668 N VAL A 47 5.451 0.598 -2.018 1.00 0.00 N ATOM 669 CA VAL A 47 6.043 -0.547 -1.251 1.00 0.00 C ATOM 670 C VAL A 47 5.944 -0.294 0.252 1.00 0.00 C ATOM 671 O VAL A 47 5.856 0.835 0.693 1.00 0.00 O ATOM 672 CB VAL A 47 7.508 -0.708 -1.636 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.592 -1.308 -3.034 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.188 0.662 -1.634 1.00 0.00 C ATOM 0 H VAL A 47 5.726 1.527 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 47 5.490 -1.454 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 47 8.006 -1.363 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.638 -1.426 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.101 -2.281 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.097 -0.646 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.236 0.548 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.693 1.315 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.120 1.101 -0.638 1.00 0.00 H new ATOM 684 N ARG A 48 5.960 -1.357 1.009 1.00 0.00 N ATOM 685 CA ARG A 48 5.871 -1.204 2.485 1.00 0.00 C ATOM 686 C ARG A 48 7.267 -1.013 3.088 1.00 0.00 C ATOM 687 O ARG A 48 8.195 -1.720 2.749 1.00 0.00 O ATOM 688 CB ARG A 48 5.223 -2.452 3.079 1.00 0.00 C ATOM 689 CG ARG A 48 4.009 -2.842 2.233 1.00 0.00 C ATOM 690 CD ARG A 48 2.841 -3.177 3.158 1.00 0.00 C ATOM 691 NE ARG A 48 3.284 -4.200 4.145 1.00 0.00 N ATOM 692 CZ ARG A 48 2.896 -4.101 5.388 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.693 -4.488 5.705 1.00 0.00 N ATOM 694 NH2 ARG A 48 3.727 -3.616 6.270 1.00 0.00 N ATOM 0 H ARG A 48 6.030 -2.317 0.671 1.00 0.00 H new ATOM 0 HA ARG A 48 5.268 -0.326 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.941 -3.272 3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.918 -2.263 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.737 -2.024 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.249 -3.700 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.499 -2.279 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.998 -3.553 2.579 1.00 0.00 H new ATOM 0 HE ARG A 48 3.885 -4.971 3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.072 -4.861 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.373 -4.418 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.661 -3.322 5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.443 -3.531 7.246 1.00 0.00 H new ATOM 708 N ASP A 49 7.383 -0.061 3.972 1.00 0.00 N ATOM 709 CA ASP A 49 8.707 0.188 4.612 1.00 0.00 C ATOM 710 C ASP A 49 8.808 -0.592 5.921 1.00 0.00 C ATOM 711 O ASP A 49 7.818 -0.802 6.598 1.00 0.00 O ATOM 712 CB ASP A 49 8.854 1.675 4.906 1.00 0.00 C ATOM 713 CG ASP A 49 10.337 2.043 4.913 1.00 0.00 C ATOM 714 OD1 ASP A 49 10.932 1.862 5.963 1.00 0.00 O ATOM 715 OD2 ASP A 49 10.792 2.487 3.872 1.00 0.00 O ATOM 0 H ASP A 49 6.626 0.551 4.277 1.00 0.00 H new ATOM 0 HA ASP A 49 9.497 -0.137 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.326 2.260 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.404 1.913 5.870 1.00 0.00 H new ATOM 720 N ALA A 50 10.006 -0.990 6.257 1.00 0.00 N ATOM 721 CA ALA A 50 10.196 -1.763 7.515 1.00 0.00 C ATOM 722 C ALA A 50 9.421 -1.102 8.649 1.00 0.00 C ATOM 723 O ALA A 50 8.975 -1.759 9.569 1.00 0.00 O ATOM 724 CB ALA A 50 11.683 -1.794 7.863 1.00 0.00 C ATOM 0 H ALA A 50 10.854 -0.814 5.718 1.00 0.00 H new ATOM 0 HA ALA A 50 9.828 -2.780 7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.830 -2.359 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.236 -2.270 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.046 -0.775 8.001 1.00 0.00 H new ATOM 730 N GLN A 51 9.275 0.188 8.556 1.00 0.00 N ATOM 731 CA GLN A 51 8.523 0.917 9.616 1.00 0.00 C ATOM 732 C GLN A 51 7.020 0.782 9.369 1.00 0.00 C ATOM 733 O GLN A 51 6.238 1.600 9.809 1.00 0.00 O ATOM 734 CB GLN A 51 8.915 2.391 9.584 1.00 0.00 C ATOM 735 CG GLN A 51 10.389 2.529 9.970 1.00 0.00 C ATOM 736 CD GLN A 51 10.980 3.761 9.280 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.255 4.816 9.997 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 11.195 3.773 8.084 1.00 0.00 N flip ATOM 0 H GLN A 51 9.640 0.767 7.799 1.00 0.00 H new ATOM 0 HA GLN A 51 8.764 0.493 10.591 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.747 2.802 8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.292 2.960 10.273 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.486 2.622 11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.939 1.635 9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.982 2.951 7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.589 4.605 7.645 1.00 0.00 H new ATOM 747 N GLY A 52 6.646 -0.256 8.668 1.00 0.00 N ATOM 748 CA GLY A 52 5.202 -0.456 8.375 1.00 0.00 C ATOM 749 C GLY A 52 4.625 0.799 7.721 1.00 0.00 C ATOM 750 O GLY A 52 3.478 1.140 7.934 1.00 0.00 O ATOM 0 H GLY A 52 7.273 -0.966 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.071 -1.313 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.662 -0.678 9.296 1.00 0.00 H new ATOM 754 N ASN A 53 5.441 1.457 6.932 1.00 0.00 N ATOM 755 CA ASN A 53 4.972 2.709 6.249 1.00 0.00 C ATOM 756 C ASN A 53 4.980 2.524 4.728 1.00 0.00 C ATOM 757 O ASN A 53 5.986 2.172 4.147 1.00 0.00 O ATOM 758 CB ASN A 53 5.903 3.862 6.623 1.00 0.00 C ATOM 759 CG ASN A 53 5.507 4.407 7.995 1.00 0.00 C ATOM 760 OD1 ASN A 53 6.057 3.895 9.060 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 4.694 5.302 8.109 1.00 0.00 N flip ATOM 0 H ASN A 53 6.404 1.186 6.731 1.00 0.00 H new ATOM 0 HA ASN A 53 3.954 2.929 6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.937 3.518 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.842 4.651 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.261 5.706 7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.445 5.650 9.035 1.00 0.00 H new ATOM 768 N CYS A 54 3.856 2.774 4.115 1.00 0.00 N ATOM 769 CA CYS A 54 3.778 2.615 2.633 1.00 0.00 C ATOM 770 C CYS A 54 4.397 3.827 1.932 1.00 0.00 C ATOM 771 O CYS A 54 3.981 4.948 2.147 1.00 0.00 O ATOM 772 CB CYS A 54 2.316 2.483 2.219 1.00 0.00 C ATOM 773 SG CYS A 54 1.943 2.624 0.455 1.00 0.00 S ATOM 0 H CYS A 54 2.995 3.079 4.569 1.00 0.00 H new ATOM 0 HA CYS A 54 4.331 1.721 2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.952 1.516 2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.745 3.246 2.748 1.00 0.00 H new ATOM 778 N ILE A 55 5.378 3.572 1.105 1.00 0.00 N ATOM 779 CA ILE A 55 6.034 4.699 0.377 1.00 0.00 C ATOM 780 C ILE A 55 6.381 4.278 -1.051 1.00 0.00 C ATOM 781 O ILE A 55 6.581 3.112 -1.331 1.00 0.00 O ATOM 782 CB ILE A 55 7.313 5.110 1.115 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.381 4.014 0.951 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.002 5.293 2.603 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.537 4.289 1.915 1.00 0.00 C ATOM 0 H ILE A 55 5.750 2.644 0.904 1.00 0.00 H new ATOM 0 HA ILE A 55 5.345 5.543 0.338 1.00 0.00 H new ATOM 0 HB ILE A 55 7.686 6.045 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.948 3.034 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.745 3.995 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.910 5.585 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.246 6.069 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.629 4.355 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.296 3.515 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.974 5.262 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.165 4.286 2.940 1.00 0.00 H new ATOM 797 N LYS A 56 6.446 5.242 -1.921 1.00 0.00 N ATOM 798 CA LYS A 56 6.782 4.934 -3.341 1.00 0.00 C ATOM 799 C LYS A 56 8.028 4.040 -3.416 1.00 0.00 C ATOM 800 O LYS A 56 8.802 3.969 -2.482 1.00 0.00 O ATOM 801 CB LYS A 56 7.060 6.243 -4.084 1.00 0.00 C ATOM 802 CG LYS A 56 6.250 7.372 -3.446 1.00 0.00 C ATOM 803 CD LYS A 56 5.998 8.463 -4.488 1.00 0.00 C ATOM 804 CE LYS A 56 7.340 8.999 -4.993 1.00 0.00 C ATOM 805 NZ LYS A 56 7.252 10.464 -5.252 1.00 0.00 N ATOM 0 H LYS A 56 6.282 6.227 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 56 5.943 4.410 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.124 6.477 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.795 6.140 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.302 6.987 -3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.789 7.785 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.418 8.062 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.412 9.271 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.118 8.800 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.626 8.478 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.171 10.812 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.523 10.646 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.001 10.958 -4.372 1.00 0.00 H new ATOM 819 N PHE A 57 8.187 3.379 -4.532 1.00 0.00 N ATOM 820 CA PHE A 57 9.376 2.490 -4.703 1.00 0.00 C ATOM 821 C PHE A 57 10.661 3.326 -4.773 1.00 0.00 C ATOM 822 O PHE A 57 11.709 2.898 -4.335 1.00 0.00 O ATOM 823 CB PHE A 57 9.214 1.706 -6.003 1.00 0.00 C ATOM 824 CG PHE A 57 9.629 0.249 -5.789 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.922 -0.064 -5.407 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.717 -0.778 -5.977 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.296 -1.378 -5.217 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.094 -2.091 -5.785 1.00 0.00 C ATOM 829 CZ PHE A 57 10.382 -2.390 -5.405 1.00 0.00 C ATOM 0 H PHE A 57 7.550 3.415 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 57 9.446 1.810 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.178 1.752 -6.339 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.824 2.155 -6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.643 0.726 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.705 -0.549 -6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.307 -1.613 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.377 -2.885 -5.933 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.676 -3.418 -5.254 1.00 0.00 H new ATOM 839 N GLU A 58 10.549 4.505 -5.326 1.00 0.00 N ATOM 840 CA GLU A 58 11.755 5.381 -5.444 1.00 0.00 C ATOM 841 C GLU A 58 12.156 5.944 -4.074 1.00 0.00 C ATOM 842 O GLU A 58 13.246 6.452 -3.905 1.00 0.00 O ATOM 843 CB GLU A 58 11.440 6.537 -6.393 1.00 0.00 C ATOM 844 CG GLU A 58 10.358 6.097 -7.378 1.00 0.00 C ATOM 845 CD GLU A 58 10.344 7.052 -8.573 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.371 8.243 -8.314 1.00 0.00 O ATOM 847 OE2 GLU A 58 10.309 6.537 -9.679 1.00 0.00 O ATOM 0 H GLU A 58 9.684 4.898 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 58 12.584 4.788 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.103 7.406 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.339 6.837 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.549 5.078 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.384 6.094 -6.889 1.00 0.00 H new ATOM 854 N ASP A 59 11.267 5.841 -3.125 1.00 0.00 N ATOM 855 CA ASP A 59 11.587 6.368 -1.764 1.00 0.00 C ATOM 856 C ASP A 59 12.322 5.301 -0.949 1.00 0.00 C ATOM 857 O ASP A 59 12.367 5.359 0.264 1.00 0.00 O ATOM 858 CB ASP A 59 10.287 6.749 -1.055 1.00 0.00 C ATOM 859 CG ASP A 59 9.953 8.210 -1.361 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.649 9.050 -0.815 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.021 8.404 -2.124 1.00 0.00 O ATOM 0 H ASP A 59 10.343 5.421 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 59 12.227 7.245 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.475 6.101 -1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.390 6.605 0.021 1.00 0.00 H new ATOM 866 N CYS A 60 12.888 4.350 -1.639 1.00 0.00 N ATOM 867 CA CYS A 60 13.623 3.265 -0.928 1.00 0.00 C ATOM 868 C CYS A 60 15.089 3.689 -0.676 1.00 0.00 C ATOM 869 O CYS A 60 15.600 4.564 -1.346 1.00 0.00 O ATOM 870 CB CYS A 60 13.594 2.015 -1.801 1.00 0.00 C ATOM 871 SG CYS A 60 12.372 0.758 -1.393 1.00 0.00 S ATOM 0 H CYS A 60 12.874 4.276 -2.656 1.00 0.00 H new ATOM 0 HA CYS A 60 13.150 3.067 0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.428 2.326 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.580 1.553 -1.763 1.00 0.00 H new