USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=8 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 Set 1.1: A 6 THR OG1 : rot 180:sc= 0.0851 USER MOD Set 1.2: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.33 K(o=-2.3,f=-1.1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -170:sc= 0.237 USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= -0.868 (180deg=-1.56!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.477 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.0286 (180deg=-0.394) 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= -0.13 X(o=-0.13,f=0) USER MOD Single : A 53 ASN : amide:sc= -4.95! K(o=-5!,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= -0.141 (180deg=-0.672!) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.406 10.457 0.380 1.00 0.00 N ATOM 66 CA CYS A 5 -6.963 10.191 1.780 1.00 0.00 C ATOM 67 C CYS A 5 -6.122 11.358 2.304 1.00 0.00 C ATOM 68 O CYS A 5 -6.131 12.435 1.740 1.00 0.00 O ATOM 69 CB CYS A 5 -6.136 8.907 1.805 1.00 0.00 C ATOM 70 SG CYS A 5 -6.892 7.424 1.092 1.00 0.00 S ATOM 0 HA CYS A 5 -7.839 10.081 2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.201 9.097 1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.879 8.690 2.842 1.00 0.00 H new ATOM 75 N THR A 6 -5.414 11.118 3.371 1.00 0.00 N ATOM 76 CA THR A 6 -4.577 12.206 3.957 1.00 0.00 C ATOM 77 C THR A 6 -3.120 12.105 3.477 1.00 0.00 C ATOM 78 O THR A 6 -2.760 12.665 2.461 1.00 0.00 O ATOM 79 CB THR A 6 -4.621 12.092 5.482 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.801 10.702 5.738 1.00 0.00 O ATOM 81 CG2 THR A 6 -5.861 12.772 6.057 1.00 0.00 C ATOM 0 H THR A 6 -5.377 10.224 3.861 1.00 0.00 H new ATOM 0 HA THR A 6 -4.974 13.168 3.634 1.00 0.00 H new ATOM 0 HB THR A 6 -3.727 12.540 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.837 10.550 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.860 12.672 7.142 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.853 13.829 5.790 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.756 12.301 5.650 1.00 0.00 H new ATOM 89 N LYS A 7 -2.315 11.391 4.220 1.00 0.00 N ATOM 90 CA LYS A 7 -0.873 11.263 3.833 1.00 0.00 C ATOM 91 C LYS A 7 -0.752 10.750 2.376 1.00 0.00 C ATOM 92 O LYS A 7 -1.671 10.150 1.856 1.00 0.00 O ATOM 93 CB LYS A 7 -0.192 10.256 4.777 1.00 0.00 C ATOM 94 CG LYS A 7 0.579 10.992 5.890 1.00 0.00 C ATOM 95 CD LYS A 7 -0.417 11.623 6.866 1.00 0.00 C ATOM 96 CE LYS A 7 -0.743 10.615 7.971 1.00 0.00 C ATOM 97 NZ LYS A 7 -2.079 10.906 8.566 1.00 0.00 N ATOM 0 H LYS A 7 -2.587 10.895 5.069 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.394 12.239 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.941 9.600 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.492 9.623 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.231 10.296 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.218 11.761 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.004 12.531 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.327 11.912 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.732 9.604 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.023 10.655 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.284 10.213 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.077 11.863 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.809 10.845 7.827 1.00 0.00 H new ATOM 111 N PRO A 8 0.396 10.999 1.741 1.00 0.00 N ATOM 112 CA PRO A 8 0.625 10.538 0.361 1.00 0.00 C ATOM 113 C PRO A 8 0.597 9.006 0.296 1.00 0.00 C ATOM 114 O PRO A 8 0.424 8.349 1.302 1.00 0.00 O ATOM 115 CB PRO A 8 2.022 11.051 -0.012 1.00 0.00 C ATOM 116 CG PRO A 8 2.634 11.695 1.268 1.00 0.00 C ATOM 117 CD PRO A 8 1.522 11.751 2.331 1.00 0.00 C ATOM 0 HA PRO A 8 -0.144 10.905 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.649 10.234 -0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.961 11.782 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.479 11.107 1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.010 12.695 1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.849 11.302 3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.238 12.780 2.552 1.00 0.00 H new ATOM 125 N ASN A 9 0.780 8.473 -0.886 1.00 0.00 N ATOM 126 CA ASN A 9 0.770 6.982 -1.040 1.00 0.00 C ATOM 127 C ASN A 9 -0.570 6.405 -0.579 1.00 0.00 C ATOM 128 O ASN A 9 -1.383 6.019 -1.394 1.00 0.00 O ATOM 129 CB ASN A 9 1.907 6.382 -0.214 1.00 0.00 C ATOM 130 CG ASN A 9 3.180 7.201 -0.436 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.887 7.019 -1.408 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.511 8.108 0.440 1.00 0.00 N ATOM 0 H ASN A 9 0.935 8.999 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 9 0.909 6.732 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.642 6.380 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.073 5.344 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.359 8.660 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.922 8.266 1.258 1.00 0.00 H new ATOM 139 N GLU A 10 -0.768 6.340 0.715 1.00 0.00 N ATOM 140 CA GLU A 10 -2.065 5.805 1.233 1.00 0.00 C ATOM 141 C GLU A 10 -3.214 6.355 0.386 1.00 0.00 C ATOM 142 O GLU A 10 -3.539 7.523 0.467 1.00 0.00 O ATOM 143 CB GLU A 10 -2.246 6.241 2.688 1.00 0.00 C ATOM 144 CG GLU A 10 -1.107 5.666 3.533 1.00 0.00 C ATOM 145 CD GLU A 10 -1.520 4.296 4.079 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.814 3.450 3.250 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.515 4.173 5.293 1.00 0.00 O ATOM 0 H GLU A 10 -0.097 6.630 1.427 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.063 4.716 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.251 7.329 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.207 5.893 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.204 5.572 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.873 6.342 4.355 1.00 0.00 H new ATOM 154 N GLN A 11 -3.798 5.499 -0.406 1.00 0.00 N ATOM 155 CA GLN A 11 -4.909 5.949 -1.288 1.00 0.00 C ATOM 156 C GLN A 11 -6.052 4.944 -1.243 1.00 0.00 C ATOM 157 O GLN A 11 -5.903 3.851 -0.733 1.00 0.00 O ATOM 158 CB GLN A 11 -4.392 6.061 -2.720 1.00 0.00 C ATOM 159 CG GLN A 11 -5.059 7.253 -3.401 1.00 0.00 C ATOM 160 CD GLN A 11 -4.949 7.091 -4.919 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.727 6.393 -5.536 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.996 7.716 -5.556 1.00 0.00 N ATOM 0 H GLN A 11 -3.555 4.511 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.273 6.917 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.309 6.186 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.607 5.145 -3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.106 7.317 -3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.581 8.181 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.340 8.304 -5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.908 7.616 -6.567 1.00 0.00 H new ATOM 171 N TRP A 12 -7.166 5.332 -1.777 1.00 0.00 N ATOM 172 CA TRP A 12 -8.329 4.411 -1.773 1.00 0.00 C ATOM 173 C TRP A 12 -7.974 3.097 -2.449 1.00 0.00 C ATOM 174 O TRP A 12 -7.294 3.079 -3.457 1.00 0.00 O ATOM 175 CB TRP A 12 -9.471 5.045 -2.542 1.00 0.00 C ATOM 176 CG TRP A 12 -10.597 4.021 -2.674 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.842 3.298 -3.765 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.477 3.766 -1.738 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.936 2.594 -3.432 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.400 2.834 -2.164 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.550 4.279 -0.463 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.403 2.424 -1.317 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.552 3.867 0.387 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.480 2.938 -0.041 1.00 0.00 C ATOM 0 H TRP A 12 -7.324 6.240 -2.214 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.615 4.222 -0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.828 5.935 -2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.132 5.364 -3.528 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.293 3.282 -4.695 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.384 1.936 -4.069 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.822 5.004 -0.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.130 1.699 -1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.612 4.270 1.387 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.266 2.614 0.625 1.00 0.00 H new ATOM 195 N THR A 13 -8.434 2.020 -1.880 1.00 0.00 N ATOM 196 CA THR A 13 -8.160 0.701 -2.502 1.00 0.00 C ATOM 197 C THR A 13 -9.380 -0.204 -2.347 1.00 0.00 C ATOM 198 O THR A 13 -9.846 -0.446 -1.250 1.00 0.00 O ATOM 199 CB THR A 13 -6.939 0.053 -1.835 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.085 -1.340 -2.090 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.981 0.190 -0.316 1.00 0.00 C ATOM 0 H THR A 13 -8.982 1.997 -1.020 1.00 0.00 H new ATOM 0 HA THR A 13 -7.951 0.841 -3.563 1.00 0.00 H new ATOM 0 HB THR A 13 -6.026 0.513 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.432 -1.840 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.099 -0.282 0.116 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.997 1.246 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.878 -0.296 0.069 1.00 0.00 H new ATOM 209 N LYS A 14 -9.884 -0.678 -3.447 1.00 0.00 N ATOM 210 CA LYS A 14 -11.076 -1.563 -3.369 1.00 0.00 C ATOM 211 C LYS A 14 -10.686 -2.883 -2.690 1.00 0.00 C ATOM 212 O LYS A 14 -11.534 -3.619 -2.226 1.00 0.00 O ATOM 213 CB LYS A 14 -11.588 -1.846 -4.794 1.00 0.00 C ATOM 214 CG LYS A 14 -13.088 -1.494 -4.938 1.00 0.00 C ATOM 215 CD LYS A 14 -13.213 -0.088 -5.520 1.00 0.00 C ATOM 216 CE LYS A 14 -14.607 0.464 -5.214 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.577 1.303 -3.983 1.00 0.00 N ATOM 0 H LYS A 14 -9.529 -0.495 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.860 -1.077 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.007 -1.267 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.435 -2.898 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.584 -2.216 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.582 -1.546 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.450 0.563 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.047 -0.112 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.963 1.057 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.310 -0.359 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.405 1.084 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.708 1.103 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.597 2.309 -4.248 1.00 0.00 H new ATOM 231 N CYS A 15 -9.402 -3.150 -2.651 1.00 0.00 N ATOM 232 CA CYS A 15 -8.924 -4.408 -2.005 1.00 0.00 C ATOM 233 C CYS A 15 -7.690 -4.131 -1.141 1.00 0.00 C ATOM 234 O CYS A 15 -6.601 -3.955 -1.652 1.00 0.00 O ATOM 235 CB CYS A 15 -8.555 -5.418 -3.086 1.00 0.00 C ATOM 236 SG CYS A 15 -7.139 -6.497 -2.752 1.00 0.00 S ATOM 0 H CYS A 15 -8.670 -2.553 -3.037 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.720 -4.803 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.425 -6.048 -3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.354 -4.871 -4.007 1.00 0.00 H new ATOM 241 N GLY A 16 -7.884 -4.103 0.148 1.00 0.00 N ATOM 242 CA GLY A 16 -6.728 -3.850 1.054 1.00 0.00 C ATOM 243 C GLY A 16 -6.150 -5.178 1.550 1.00 0.00 C ATOM 244 O GLY A 16 -6.234 -6.182 0.870 1.00 0.00 O ATOM 0 H GLY A 16 -8.783 -4.243 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.960 -3.284 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.046 -3.243 1.902 1.00 0.00 H new ATOM 248 N GLY A 17 -5.573 -5.153 2.722 1.00 0.00 N ATOM 249 CA GLY A 17 -4.990 -6.408 3.287 1.00 0.00 C ATOM 250 C GLY A 17 -3.466 -6.396 3.172 1.00 0.00 C ATOM 251 O GLY A 17 -2.799 -5.603 3.807 1.00 0.00 O ATOM 0 H GLY A 17 -5.480 -4.325 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.280 -6.511 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.393 -7.272 2.758 1.00 0.00 H new ATOM 255 N CYS A 18 -2.946 -7.278 2.364 1.00 0.00 N ATOM 256 CA CYS A 18 -1.467 -7.337 2.200 1.00 0.00 C ATOM 257 C CYS A 18 -1.006 -6.322 1.150 1.00 0.00 C ATOM 258 O CYS A 18 -1.805 -5.612 0.573 1.00 0.00 O ATOM 259 CB CYS A 18 -1.070 -8.744 1.757 1.00 0.00 C ATOM 260 SG CYS A 18 -1.792 -10.135 2.663 1.00 0.00 S ATOM 0 H CYS A 18 -3.476 -7.955 1.815 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.992 -7.097 3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.334 -8.853 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.015 -8.825 1.824 1.00 0.00 H new ATOM 265 N GLU A 19 0.279 -6.277 0.925 1.00 0.00 N ATOM 266 CA GLU A 19 0.817 -5.317 -0.079 1.00 0.00 C ATOM 267 C GLU A 19 2.186 -5.791 -0.574 1.00 0.00 C ATOM 268 O GLU A 19 2.417 -6.975 -0.713 1.00 0.00 O ATOM 269 CB GLU A 19 0.957 -3.940 0.570 1.00 0.00 C ATOM 270 CG GLU A 19 0.990 -2.865 -0.520 1.00 0.00 C ATOM 271 CD GLU A 19 1.979 -1.770 -0.120 1.00 0.00 C ATOM 272 OE1 GLU A 19 2.019 -1.484 1.065 1.00 0.00 O ATOM 273 OE2 GLU A 19 2.639 -1.281 -1.022 1.00 0.00 O ATOM 0 H GLU A 19 0.975 -6.860 1.390 1.00 0.00 H new ATOM 0 HA GLU A 19 0.134 -5.259 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.124 -3.759 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.869 -3.898 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.284 -3.306 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.004 -2.440 -0.658 1.00 0.00 H new ATOM 280 N GLY A 20 3.060 -4.853 -0.834 1.00 0.00 N ATOM 281 CA GLY A 20 4.422 -5.224 -1.319 1.00 0.00 C ATOM 282 C GLY A 20 5.488 -4.466 -0.532 1.00 0.00 C ATOM 283 O GLY A 20 5.178 -3.600 0.262 1.00 0.00 O ATOM 0 H GLY A 20 2.891 -3.852 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.574 -6.298 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.512 -4.995 -2.381 1.00 0.00 H new ATOM 287 N THR A 21 6.725 -4.813 -0.770 1.00 0.00 N ATOM 288 CA THR A 21 7.841 -4.129 -0.053 1.00 0.00 C ATOM 289 C THR A 21 8.939 -3.749 -1.047 1.00 0.00 C ATOM 290 O THR A 21 8.822 -4.005 -2.228 1.00 0.00 O ATOM 291 CB THR A 21 8.412 -5.076 1.007 1.00 0.00 C ATOM 292 OG1 THR A 21 9.060 -6.103 0.263 1.00 0.00 O ATOM 293 CG2 THR A 21 7.303 -5.779 1.785 1.00 0.00 C ATOM 0 H THR A 21 7.011 -5.538 -1.428 1.00 0.00 H new ATOM 0 HA THR A 21 7.466 -3.224 0.426 1.00 0.00 H new ATOM 0 HB THR A 21 9.045 -4.522 1.700 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.456 -6.754 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.745 -6.443 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.682 -5.036 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.689 -6.361 1.098 1.00 0.00 H new ATOM 301 N CYS A 22 9.988 -3.154 -0.552 1.00 0.00 N ATOM 302 CA CYS A 22 11.094 -2.757 -1.467 1.00 0.00 C ATOM 303 C CYS A 22 11.853 -4.002 -1.922 1.00 0.00 C ATOM 304 O CYS A 22 12.906 -3.909 -2.521 1.00 0.00 O ATOM 305 CB CYS A 22 12.046 -1.813 -0.733 1.00 0.00 C ATOM 306 SG CYS A 22 13.109 -0.758 -1.741 1.00 0.00 S ATOM 0 H CYS A 22 10.127 -2.928 0.433 1.00 0.00 H new ATOM 0 HA CYS A 22 10.681 -2.249 -2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.450 -1.170 -0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.684 -2.414 -0.086 1.00 0.00 H new ATOM 311 N ALA A 23 11.290 -5.144 -1.622 1.00 0.00 N ATOM 312 CA ALA A 23 11.944 -6.424 -2.020 1.00 0.00 C ATOM 313 C ALA A 23 10.925 -7.356 -2.691 1.00 0.00 C ATOM 314 O ALA A 23 11.291 -8.258 -3.416 1.00 0.00 O ATOM 315 CB ALA A 23 12.502 -7.097 -0.769 1.00 0.00 C ATOM 0 H ALA A 23 10.408 -5.244 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 23 12.747 -6.217 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.984 -8.035 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.232 -6.439 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.689 -7.298 -0.071 1.00 0.00 H new ATOM 321 N GLN A 24 9.663 -7.115 -2.435 1.00 0.00 N ATOM 322 CA GLN A 24 8.611 -7.981 -3.047 1.00 0.00 C ATOM 323 C GLN A 24 7.374 -7.148 -3.403 1.00 0.00 C ATOM 324 O GLN A 24 6.427 -7.084 -2.643 1.00 0.00 O ATOM 325 CB GLN A 24 8.217 -9.070 -2.052 1.00 0.00 C ATOM 326 CG GLN A 24 9.028 -10.335 -2.342 1.00 0.00 C ATOM 327 CD GLN A 24 9.013 -11.239 -1.108 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.491 -10.872 -0.052 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.477 -12.424 -1.197 1.00 0.00 N ATOM 0 H GLN A 24 9.319 -6.365 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 24 9.007 -8.431 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.401 -8.731 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.151 -9.282 -2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.607 -10.862 -3.198 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.053 -10.072 -2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.075 -12.737 -2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.460 -13.038 -0.383 1.00 0.00 H new ATOM 338 N LYS A 25 7.409 -6.530 -4.552 1.00 0.00 N ATOM 339 CA LYS A 25 6.240 -5.702 -4.977 1.00 0.00 C ATOM 340 C LYS A 25 4.937 -6.471 -4.711 1.00 0.00 C ATOM 341 O LYS A 25 3.909 -5.877 -4.450 1.00 0.00 O ATOM 342 CB LYS A 25 6.380 -5.389 -6.482 1.00 0.00 C ATOM 343 CG LYS A 25 5.708 -4.033 -6.835 1.00 0.00 C ATOM 344 CD LYS A 25 4.187 -4.185 -6.897 1.00 0.00 C ATOM 345 CE LYS A 25 3.703 -3.791 -8.295 1.00 0.00 C ATOM 346 NZ LYS A 25 4.278 -4.704 -9.323 1.00 0.00 N ATOM 0 H LYS A 25 8.187 -6.560 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 25 6.213 -4.771 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.435 -5.357 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.924 -6.188 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.974 -3.284 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.082 -3.674 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.902 -5.214 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.715 -3.555 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.614 -3.830 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.993 -2.763 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.617 -4.787 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.183 -4.320 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.435 -5.643 -8.904 1.00 0.00 H new ATOM 360 N ILE A 26 5.013 -7.778 -4.788 1.00 0.00 N ATOM 361 CA ILE A 26 3.791 -8.614 -4.539 1.00 0.00 C ATOM 362 C ILE A 26 4.109 -9.684 -3.489 1.00 0.00 C ATOM 363 O ILE A 26 4.946 -10.540 -3.706 1.00 0.00 O ATOM 364 CB ILE A 26 3.365 -9.295 -5.854 1.00 0.00 C ATOM 365 CG1 ILE A 26 3.186 -8.239 -6.973 1.00 0.00 C ATOM 366 CG2 ILE A 26 2.052 -10.069 -5.637 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.842 -7.496 -6.834 1.00 0.00 C ATOM 0 H ILE A 26 5.860 -8.301 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 26 2.982 -7.980 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 26 4.144 -9.994 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.006 -7.522 -6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.235 -8.726 -7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.754 -10.549 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.200 -10.828 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.271 -9.378 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.747 -6.762 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.022 -8.211 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.805 -6.988 -5.870 1.00 0.00 H new ATOM 379 N VAL A 27 3.430 -9.615 -2.373 1.00 0.00 N ATOM 380 CA VAL A 27 3.683 -10.613 -1.289 1.00 0.00 C ATOM 381 C VAL A 27 2.560 -11.699 -1.286 1.00 0.00 C ATOM 382 O VAL A 27 1.396 -11.363 -1.373 1.00 0.00 O ATOM 383 CB VAL A 27 3.673 -9.873 0.052 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.239 -9.466 0.396 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.207 -10.796 1.150 1.00 0.00 C ATOM 0 H VAL A 27 2.716 -8.917 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 27 4.643 -11.102 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 27 4.302 -8.986 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.229 -8.939 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.849 -8.812 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.615 -10.357 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.200 -10.269 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.575 -11.682 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.227 -11.096 0.909 1.00 0.00 H new ATOM 395 N PRO A 28 2.921 -12.988 -1.192 1.00 0.00 N ATOM 396 CA PRO A 28 1.904 -14.054 -1.170 1.00 0.00 C ATOM 397 C PRO A 28 0.988 -13.904 0.052 1.00 0.00 C ATOM 398 O PRO A 28 1.399 -13.401 1.078 1.00 0.00 O ATOM 399 CB PRO A 28 2.690 -15.368 -1.079 1.00 0.00 C ATOM 400 CG PRO A 28 4.199 -15.002 -0.970 1.00 0.00 C ATOM 401 CD PRO A 28 4.314 -13.475 -1.116 1.00 0.00 C ATOM 0 HA PRO A 28 1.267 -14.017 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.372 -15.946 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.508 -15.986 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.605 -15.328 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.773 -15.506 -1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.839 -13.037 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.875 -13.206 -2.011 1.00 0.00 H new ATOM 409 N CYS A 29 -0.233 -14.344 -0.085 1.00 0.00 N ATOM 410 CA CYS A 29 -1.184 -14.235 1.062 1.00 0.00 C ATOM 411 C CYS A 29 -2.410 -15.120 0.825 1.00 0.00 C ATOM 412 O CYS A 29 -3.172 -14.897 -0.094 1.00 0.00 O ATOM 413 CB CYS A 29 -1.626 -12.782 1.209 1.00 0.00 C ATOM 414 SG CYS A 29 -0.589 -11.694 2.217 1.00 0.00 S ATOM 0 H CYS A 29 -0.612 -14.770 -0.931 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.684 -14.567 1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.698 -12.349 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.631 -12.777 1.632 1.00 0.00 H new ATOM 419 N THR A 30 -2.575 -16.108 1.663 1.00 0.00 N ATOM 420 CA THR A 30 -3.748 -17.017 1.503 1.00 0.00 C ATOM 421 C THR A 30 -5.051 -16.240 1.712 1.00 0.00 C ATOM 422 O THR A 30 -6.109 -16.678 1.310 1.00 0.00 O ATOM 423 CB THR A 30 -3.653 -18.142 2.537 1.00 0.00 C ATOM 424 OG1 THR A 30 -4.372 -17.657 3.668 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.220 -18.337 3.022 1.00 0.00 C ATOM 0 H THR A 30 -1.956 -16.324 2.444 1.00 0.00 H new ATOM 0 HA THR A 30 -3.745 -17.435 0.496 1.00 0.00 H new ATOM 0 HB THR A 30 -4.020 -19.074 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.357 -18.331 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.190 -19.143 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.581 -18.592 2.176 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.863 -17.416 3.482 1.00 0.00 H new ATOM 433 N ARG A 31 -4.944 -15.098 2.339 1.00 0.00 N ATOM 434 CA ARG A 31 -6.165 -14.277 2.580 1.00 0.00 C ATOM 435 C ARG A 31 -6.811 -13.892 1.245 1.00 0.00 C ATOM 436 O ARG A 31 -6.747 -14.639 0.288 1.00 0.00 O ATOM 437 CB ARG A 31 -5.773 -13.014 3.346 1.00 0.00 C ATOM 438 CG ARG A 31 -5.031 -13.418 4.622 1.00 0.00 C ATOM 439 CD ARG A 31 -4.645 -12.158 5.400 1.00 0.00 C ATOM 440 NE ARG A 31 -3.636 -12.518 6.436 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.960 -12.447 7.699 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.875 -11.297 8.308 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.359 -13.529 8.310 1.00 0.00 N ATOM 0 H ARG A 31 -4.073 -14.702 2.691 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.882 -14.855 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.140 -12.379 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.661 -12.433 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.662 -14.060 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.139 -13.993 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.238 -11.407 4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.526 -11.720 5.869 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.700 -12.817 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.560 -10.472 7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.124 -11.223 9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.414 -14.411 7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.616 -13.492 9.296 1.00 0.00 H new ATOM 457 N GLU A 32 -7.421 -12.736 1.206 1.00 0.00 N ATOM 458 CA GLU A 32 -8.073 -12.296 -0.061 1.00 0.00 C ATOM 459 C GLU A 32 -7.891 -10.791 -0.259 1.00 0.00 C ATOM 460 O GLU A 32 -7.032 -10.360 -1.003 1.00 0.00 O ATOM 461 CB GLU A 32 -9.564 -12.622 0.004 1.00 0.00 C ATOM 462 CG GLU A 32 -9.745 -14.139 0.075 1.00 0.00 C ATOM 463 CD GLU A 32 -11.209 -14.486 -0.204 1.00 0.00 C ATOM 464 OE1 GLU A 32 -12.035 -13.993 0.545 1.00 0.00 O ATOM 465 OE2 GLU A 32 -11.418 -15.225 -1.152 1.00 0.00 O ATOM 0 H GLU A 32 -7.495 -12.085 1.987 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.612 -12.819 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.014 -12.149 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.074 -12.224 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.098 -14.629 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.453 -14.506 1.059 1.00 0.00 H new ATOM 472 N CYS A 33 -8.697 -10.024 0.418 1.00 0.00 N ATOM 473 CA CYS A 33 -8.599 -8.540 0.273 1.00 0.00 C ATOM 474 C CYS A 33 -9.476 -7.842 1.321 1.00 0.00 C ATOM 475 O CYS A 33 -10.684 -7.951 1.287 1.00 0.00 O ATOM 476 CB CYS A 33 -9.092 -8.144 -1.121 1.00 0.00 C ATOM 477 SG CYS A 33 -7.948 -8.333 -2.513 1.00 0.00 S ATOM 0 H CYS A 33 -9.416 -10.354 1.062 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.561 -8.238 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.984 -8.732 -1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.401 -7.099 -1.082 1.00 0.00 H new ATOM 482 N LYS A 34 -8.853 -7.141 2.233 1.00 0.00 N ATOM 483 CA LYS A 34 -9.659 -6.426 3.267 1.00 0.00 C ATOM 484 C LYS A 34 -10.712 -5.548 2.559 1.00 0.00 C ATOM 485 O LYS A 34 -10.545 -5.208 1.404 1.00 0.00 O ATOM 486 CB LYS A 34 -8.726 -5.545 4.098 1.00 0.00 C ATOM 487 CG LYS A 34 -8.389 -6.258 5.411 1.00 0.00 C ATOM 488 CD LYS A 34 -7.466 -5.366 6.241 1.00 0.00 C ATOM 489 CE LYS A 34 -7.024 -6.129 7.492 1.00 0.00 C ATOM 490 NZ LYS A 34 -5.773 -6.891 7.222 1.00 0.00 N ATOM 0 H LYS A 34 -7.841 -7.033 2.307 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.161 -7.141 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.813 -5.336 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.201 -4.586 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.302 -6.475 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.905 -7.213 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.597 -5.073 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.983 -4.449 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.862 -5.431 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.813 -6.813 7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.486 -7.403 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.940 -7.571 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.018 -6.232 6.944 1.00 0.00 H new ATOM 504 N PRO A 35 -11.780 -5.194 3.255 1.00 0.00 N ATOM 505 CA PRO A 35 -12.826 -4.362 2.653 1.00 0.00 C ATOM 506 C PRO A 35 -12.224 -3.047 2.100 1.00 0.00 C ATOM 507 O PRO A 35 -11.117 -2.682 2.442 1.00 0.00 O ATOM 508 CB PRO A 35 -13.814 -4.068 3.788 1.00 0.00 C ATOM 509 CG PRO A 35 -13.293 -4.804 5.061 1.00 0.00 C ATOM 510 CD PRO A 35 -12.021 -5.573 4.659 1.00 0.00 C ATOM 0 HA PRO A 35 -13.310 -4.862 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.885 -2.995 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.814 -4.415 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.075 -4.090 5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -14.050 -5.488 5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.177 -5.300 5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.161 -6.649 4.760 1.00 0.00 H new ATOM 518 N PRO A 36 -12.976 -2.367 1.251 1.00 0.00 N ATOM 519 CA PRO A 36 -12.523 -1.094 0.659 1.00 0.00 C ATOM 520 C PRO A 36 -12.176 -0.070 1.748 1.00 0.00 C ATOM 521 O PRO A 36 -12.911 0.097 2.698 1.00 0.00 O ATOM 522 CB PRO A 36 -13.714 -0.594 -0.165 1.00 0.00 C ATOM 523 CG PRO A 36 -14.854 -1.648 -0.036 1.00 0.00 C ATOM 524 CD PRO A 36 -14.318 -2.802 0.824 1.00 0.00 C ATOM 0 HA PRO A 36 -11.624 -1.231 0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.049 0.378 0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.429 -0.464 -1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.737 -1.204 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.155 -2.010 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.964 -2.988 1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.270 -3.730 0.254 1.00 0.00 H new ATOM 532 N ARG A 37 -11.063 0.602 1.573 1.00 0.00 N ATOM 533 CA ARG A 37 -10.644 1.620 2.588 1.00 0.00 C ATOM 534 C ARG A 37 -9.318 2.276 2.166 1.00 0.00 C ATOM 535 O ARG A 37 -8.616 1.764 1.319 1.00 0.00 O ATOM 536 CB ARG A 37 -10.459 0.923 3.945 1.00 0.00 C ATOM 537 CG ARG A 37 -9.685 1.840 4.898 1.00 0.00 C ATOM 538 CD ARG A 37 -9.838 1.313 6.325 1.00 0.00 C ATOM 539 NE ARG A 37 -8.623 1.675 7.108 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.581 2.821 7.732 1.00 0.00 C ATOM 541 NH1 ARG A 37 -9.554 3.132 8.543 1.00 0.00 N ATOM 542 NH2 ARG A 37 -7.567 3.615 7.526 1.00 0.00 N ATOM 0 H ARG A 37 -10.432 0.491 0.779 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.410 2.391 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.431 0.676 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.921 -0.016 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.632 1.871 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.063 2.860 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.727 1.739 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.971 0.231 6.315 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.831 1.033 7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.330 2.484 8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.539 4.023 9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.823 3.337 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.518 4.514 8.005 1.00 0.00 H new ATOM 556 N CYS A 38 -9.021 3.406 2.752 1.00 0.00 N ATOM 557 CA CYS A 38 -7.733 4.094 2.420 1.00 0.00 C ATOM 558 C CYS A 38 -6.551 3.193 2.805 1.00 0.00 C ATOM 559 O CYS A 38 -6.503 2.673 3.903 1.00 0.00 O ATOM 560 CB CYS A 38 -7.648 5.405 3.206 1.00 0.00 C ATOM 561 SG CYS A 38 -8.315 6.893 2.422 1.00 0.00 S ATOM 0 H CYS A 38 -9.606 3.880 3.440 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.695 4.300 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.167 5.263 4.154 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.600 5.589 3.441 1.00 0.00 H new ATOM 566 N GLU A 39 -5.620 3.024 1.899 1.00 0.00 N ATOM 567 CA GLU A 39 -4.450 2.149 2.219 1.00 0.00 C ATOM 568 C GLU A 39 -3.428 2.169 1.077 1.00 0.00 C ATOM 569 O GLU A 39 -3.675 2.730 0.028 1.00 0.00 O ATOM 570 CB GLU A 39 -4.946 0.720 2.429 1.00 0.00 C ATOM 571 CG GLU A 39 -4.581 0.264 3.841 1.00 0.00 C ATOM 572 CD GLU A 39 -5.066 -1.172 4.048 1.00 0.00 C ATOM 573 OE1 GLU A 39 -5.042 -1.900 3.070 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.433 -1.461 5.176 1.00 0.00 O ATOM 0 H GLU A 39 -5.617 3.444 0.970 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.966 2.520 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.026 0.672 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.497 0.054 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.502 0.321 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.037 0.924 4.578 1.00 0.00 H new ATOM 581 N CYS A 40 -2.300 1.551 1.310 1.00 0.00 N ATOM 582 CA CYS A 40 -1.248 1.514 0.249 1.00 0.00 C ATOM 583 C CYS A 40 -1.808 0.856 -1.016 1.00 0.00 C ATOM 584 O CYS A 40 -2.872 0.271 -0.991 1.00 0.00 O ATOM 585 CB CYS A 40 -0.055 0.709 0.764 1.00 0.00 C ATOM 586 SG CYS A 40 1.602 1.324 0.366 1.00 0.00 S ATOM 0 H CYS A 40 -2.062 1.074 2.180 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.933 2.529 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.137 0.642 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.140 -0.305 0.374 1.00 0.00 H new ATOM 591 N ILE A 41 -1.078 0.969 -2.098 1.00 0.00 N ATOM 592 CA ILE A 41 -1.554 0.360 -3.381 1.00 0.00 C ATOM 593 C ILE A 41 -0.407 -0.394 -4.067 1.00 0.00 C ATOM 594 O ILE A 41 0.450 0.202 -4.686 1.00 0.00 O ATOM 595 CB ILE A 41 -2.058 1.476 -4.307 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.069 2.346 -3.550 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.745 0.855 -5.525 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.352 3.572 -2.969 1.00 0.00 C ATOM 0 H ILE A 41 -0.181 1.452 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.360 -0.342 -3.169 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.216 2.087 -4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.868 2.662 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.534 1.770 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.103 1.646 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.034 0.229 -6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.588 0.247 -5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.069 4.192 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.569 3.245 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.908 4.151 -3.778 1.00 0.00 H new ATOM 610 N ALA A 42 -0.418 -1.694 -3.948 1.00 0.00 N ATOM 611 CA ALA A 42 0.667 -2.497 -4.587 1.00 0.00 C ATOM 612 C ALA A 42 0.460 -2.560 -6.106 1.00 0.00 C ATOM 613 O ALA A 42 1.404 -2.469 -6.867 1.00 0.00 O ATOM 614 CB ALA A 42 0.645 -3.916 -4.016 1.00 0.00 C ATOM 0 H ALA A 42 -1.122 -2.231 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 42 1.627 -2.024 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.435 -4.507 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.805 -3.877 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.321 -4.377 -4.223 1.00 0.00 H new ATOM 620 N SER A 43 -0.770 -2.709 -6.513 1.00 0.00 N ATOM 621 CA SER A 43 -1.057 -2.789 -7.978 1.00 0.00 C ATOM 622 C SER A 43 -0.544 -1.536 -8.698 1.00 0.00 C ATOM 623 O SER A 43 -0.498 -1.495 -9.912 1.00 0.00 O ATOM 624 CB SER A 43 -2.565 -2.914 -8.185 1.00 0.00 C ATOM 625 OG SER A 43 -3.023 -1.570 -8.215 1.00 0.00 O ATOM 0 H SER A 43 -1.584 -2.779 -5.903 1.00 0.00 H new ATOM 0 HA SER A 43 -0.548 -3.660 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.798 -3.435 -9.113 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.033 -3.477 -7.377 1.00 0.00 H new ATOM 0 HG SER A 43 -3.994 -1.558 -8.348 1.00 0.00 H new ATOM 631 N ALA A 44 -0.171 -0.544 -7.935 1.00 0.00 N ATOM 632 CA ALA A 44 0.338 0.715 -8.567 1.00 0.00 C ATOM 633 C ALA A 44 1.869 0.739 -8.551 1.00 0.00 C ATOM 634 O ALA A 44 2.493 1.133 -9.517 1.00 0.00 O ATOM 635 CB ALA A 44 -0.196 1.914 -7.786 1.00 0.00 C ATOM 0 H ALA A 44 -0.194 -0.546 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.002 0.759 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.170 2.835 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.286 1.906 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.147 1.857 -6.753 1.00 0.00 H new ATOM 641 N GLY A 45 2.438 0.313 -7.453 1.00 0.00 N ATOM 642 CA GLY A 45 3.929 0.303 -7.347 1.00 0.00 C ATOM 643 C GLY A 45 4.381 0.870 -5.998 1.00 0.00 C ATOM 644 O GLY A 45 5.507 1.306 -5.852 1.00 0.00 O ATOM 0 H GLY A 45 1.940 -0.026 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.300 -0.716 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.360 0.892 -8.157 1.00 0.00 H new ATOM 648 N PHE A 46 3.497 0.858 -5.038 1.00 0.00 N ATOM 649 CA PHE A 46 3.872 1.392 -3.696 1.00 0.00 C ATOM 650 C PHE A 46 4.428 0.263 -2.822 1.00 0.00 C ATOM 651 O PHE A 46 4.148 -0.897 -3.051 1.00 0.00 O ATOM 652 CB PHE A 46 2.637 1.997 -3.031 1.00 0.00 C ATOM 653 CG PHE A 46 2.284 3.318 -3.719 1.00 0.00 C ATOM 654 CD1 PHE A 46 1.435 3.337 -4.812 1.00 0.00 C ATOM 655 CD2 PHE A 46 2.810 4.513 -3.258 1.00 0.00 C ATOM 656 CE1 PHE A 46 1.115 4.527 -5.429 1.00 0.00 C ATOM 657 CE2 PHE A 46 2.487 5.702 -3.880 1.00 0.00 C ATOM 658 CZ PHE A 46 1.640 5.709 -4.962 1.00 0.00 C ATOM 0 H PHE A 46 2.543 0.507 -5.121 1.00 0.00 H new ATOM 0 HA PHE A 46 4.637 2.159 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.798 1.304 -3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.827 2.166 -1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.020 2.412 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.476 4.515 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.451 4.531 -6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.901 6.630 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.387 6.641 -5.445 1.00 0.00 H new ATOM 668 N VAL A 47 5.204 0.627 -1.838 1.00 0.00 N ATOM 669 CA VAL A 47 5.793 -0.418 -0.945 1.00 0.00 C ATOM 670 C VAL A 47 5.888 0.095 0.493 1.00 0.00 C ATOM 671 O VAL A 47 5.748 1.272 0.743 1.00 0.00 O ATOM 672 CB VAL A 47 7.191 -0.759 -1.445 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.086 -1.748 -2.603 1.00 0.00 C ATOM 674 CG2 VAL A 47 7.869 0.520 -1.933 1.00 0.00 C ATOM 0 H VAL A 47 5.455 1.590 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 47 5.154 -1.301 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 47 7.775 -1.203 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.085 -1.994 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.589 -2.656 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.509 -1.301 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.871 0.286 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.284 0.955 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.936 1.233 -1.111 1.00 0.00 H new ATOM 684 N ARG A 48 6.128 -0.812 1.405 1.00 0.00 N ATOM 685 CA ARG A 48 6.249 -0.408 2.838 1.00 0.00 C ATOM 686 C ARG A 48 7.721 -0.426 3.265 1.00 0.00 C ATOM 687 O ARG A 48 8.327 -1.473 3.363 1.00 0.00 O ATOM 688 CB ARG A 48 5.458 -1.391 3.701 1.00 0.00 C ATOM 689 CG ARG A 48 4.137 -1.720 3.003 1.00 0.00 C ATOM 690 CD ARG A 48 3.184 -2.366 4.011 1.00 0.00 C ATOM 691 NE ARG A 48 2.598 -1.301 4.873 1.00 0.00 N ATOM 692 CZ ARG A 48 1.954 -1.637 5.958 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.165 -2.677 5.927 1.00 0.00 N ATOM 694 NH2 ARG A 48 2.119 -0.923 7.036 1.00 0.00 N ATOM 0 H ARG A 48 6.245 -1.809 1.221 1.00 0.00 H new ATOM 0 HA ARG A 48 5.855 0.600 2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.036 -2.301 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.267 -0.959 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.692 -0.813 2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.312 -2.395 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.394 -2.906 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.718 -3.094 4.622 1.00 0.00 H new ATOM 0 HE ARG A 48 2.699 -0.319 4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.060 -3.212 5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.654 -2.955 6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.743 -0.116 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.624 -1.171 7.893 1.00 0.00 H new ATOM 708 N ASP A 49 8.264 0.736 3.510 1.00 0.00 N ATOM 709 CA ASP A 49 9.694 0.800 3.924 1.00 0.00 C ATOM 710 C ASP A 49 9.892 0.037 5.231 1.00 0.00 C ATOM 711 O ASP A 49 8.975 -0.088 6.021 1.00 0.00 O ATOM 712 CB ASP A 49 10.098 2.257 4.123 1.00 0.00 C ATOM 713 CG ASP A 49 11.617 2.380 4.013 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.260 2.035 4.992 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.051 2.811 2.957 1.00 0.00 O ATOM 0 H ASP A 49 7.785 1.634 3.442 1.00 0.00 H new ATOM 0 HA ASP A 49 10.312 0.349 3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.616 2.885 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.763 2.609 5.099 1.00 0.00 H new ATOM 720 N ALA A 50 11.089 -0.445 5.435 1.00 0.00 N ATOM 721 CA ALA A 50 11.375 -1.210 6.682 1.00 0.00 C ATOM 722 C ALA A 50 10.775 -0.487 7.881 1.00 0.00 C ATOM 723 O ALA A 50 10.517 -1.083 8.908 1.00 0.00 O ATOM 724 CB ALA A 50 12.887 -1.328 6.861 1.00 0.00 C ATOM 0 H ALA A 50 11.877 -0.343 4.795 1.00 0.00 H new ATOM 0 HA ALA A 50 10.934 -2.204 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.103 -1.887 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.315 -1.850 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.324 -0.332 6.934 1.00 0.00 H new ATOM 730 N GLN A 51 10.567 0.787 7.726 1.00 0.00 N ATOM 731 CA GLN A 51 9.980 1.571 8.847 1.00 0.00 C ATOM 732 C GLN A 51 8.454 1.483 8.792 1.00 0.00 C ATOM 733 O GLN A 51 7.758 2.333 9.310 1.00 0.00 O ATOM 734 CB GLN A 51 10.414 3.031 8.719 1.00 0.00 C ATOM 735 CG GLN A 51 11.941 3.108 8.785 1.00 0.00 C ATOM 736 CD GLN A 51 12.386 4.548 8.527 1.00 0.00 C ATOM 737 OE1 GLN A 51 13.268 4.804 7.730 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.805 5.516 9.179 1.00 0.00 N ATOM 0 H GLN A 51 10.775 1.318 6.880 1.00 0.00 H new ATOM 0 HA GLN A 51 10.328 1.167 9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.057 3.448 7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.973 3.626 9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.291 2.777 9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.383 2.441 8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.065 5.307 9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.091 6.482 9.019 1.00 0.00 H new ATOM 747 N GLY A 52 7.967 0.448 8.161 1.00 0.00 N ATOM 748 CA GLY A 52 6.492 0.286 8.053 1.00 0.00 C ATOM 749 C GLY A 52 5.874 1.555 7.479 1.00 0.00 C ATOM 750 O GLY A 52 4.833 1.996 7.928 1.00 0.00 O ATOM 0 H GLY A 52 8.522 -0.285 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.256 -0.565 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.067 0.075 9.034 1.00 0.00 H new ATOM 754 N ASN A 53 6.531 2.116 6.492 1.00 0.00 N ATOM 755 CA ASN A 53 6.002 3.377 5.869 1.00 0.00 C ATOM 756 C ASN A 53 5.621 3.140 4.406 1.00 0.00 C ATOM 757 O ASN A 53 6.448 2.773 3.598 1.00 0.00 O ATOM 758 CB ASN A 53 7.078 4.458 5.939 1.00 0.00 C ATOM 759 CG ASN A 53 7.073 5.087 7.333 1.00 0.00 C ATOM 760 OD1 ASN A 53 6.423 6.083 7.574 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.785 4.536 8.276 1.00 0.00 N ATOM 0 H ASN A 53 7.401 1.763 6.093 1.00 0.00 H new ATOM 0 HA ASN A 53 5.113 3.692 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.056 4.028 5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.893 5.221 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.794 4.942 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.333 3.699 8.078 1.00 0.00 H new ATOM 768 N CYS A 54 4.375 3.366 4.096 1.00 0.00 N ATOM 769 CA CYS A 54 3.924 3.159 2.690 1.00 0.00 C ATOM 770 C CYS A 54 4.457 4.283 1.794 1.00 0.00 C ATOM 771 O CYS A 54 3.978 5.401 1.846 1.00 0.00 O ATOM 772 CB CYS A 54 2.395 3.149 2.653 1.00 0.00 C ATOM 773 SG CYS A 54 1.596 3.233 1.030 1.00 0.00 S ATOM 0 H CYS A 54 3.656 3.682 4.747 1.00 0.00 H new ATOM 0 HA CYS A 54 4.308 2.208 2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.053 2.241 3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.039 3.991 3.247 1.00 0.00 H new ATOM 778 N ILE A 55 5.441 3.962 0.993 1.00 0.00 N ATOM 779 CA ILE A 55 6.026 4.995 0.084 1.00 0.00 C ATOM 780 C ILE A 55 6.276 4.401 -1.309 1.00 0.00 C ATOM 781 O ILE A 55 6.418 3.204 -1.462 1.00 0.00 O ATOM 782 CB ILE A 55 7.349 5.490 0.680 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.329 4.313 0.803 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.083 6.071 2.069 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.622 4.801 1.462 1.00 0.00 C ATOM 0 H ILE A 55 5.863 3.036 0.929 1.00 0.00 H new ATOM 0 HA ILE A 55 5.328 5.826 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 55 7.779 6.254 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.884 3.514 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.543 3.898 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.019 6.426 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.383 6.903 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.657 5.300 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.321 3.969 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.068 5.586 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.399 5.196 2.453 1.00 0.00 H new ATOM 797 N LYS A 56 6.322 5.256 -2.294 1.00 0.00 N ATOM 798 CA LYS A 56 6.561 4.764 -3.686 1.00 0.00 C ATOM 799 C LYS A 56 7.801 3.862 -3.733 1.00 0.00 C ATOM 800 O LYS A 56 8.615 3.871 -2.829 1.00 0.00 O ATOM 801 CB LYS A 56 6.782 5.961 -4.610 1.00 0.00 C ATOM 802 CG LYS A 56 5.486 6.763 -4.720 1.00 0.00 C ATOM 803 CD LYS A 56 5.719 7.980 -5.619 1.00 0.00 C ATOM 804 CE LYS A 56 4.975 7.777 -6.941 1.00 0.00 C ATOM 805 NZ LYS A 56 3.521 7.562 -6.693 1.00 0.00 N ATOM 0 H LYS A 56 6.206 6.265 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 56 5.693 4.190 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.581 6.592 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.096 5.620 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.693 6.139 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.159 7.084 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.367 8.885 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.785 8.112 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.116 8.647 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.390 6.920 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.983 7.810 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.353 6.563 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.211 8.162 -5.902 1.00 0.00 H new ATOM 819 N PHE A 57 7.915 3.102 -4.790 1.00 0.00 N ATOM 820 CA PHE A 57 9.101 2.204 -4.927 1.00 0.00 C ATOM 821 C PHE A 57 10.350 3.043 -5.218 1.00 0.00 C ATOM 822 O PHE A 57 11.433 2.724 -4.773 1.00 0.00 O ATOM 823 CB PHE A 57 8.860 1.230 -6.085 1.00 0.00 C ATOM 824 CG PHE A 57 9.305 -0.181 -5.681 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.585 -0.408 -5.205 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.431 -1.253 -5.790 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.982 -1.678 -4.844 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.833 -2.525 -5.428 1.00 0.00 C ATOM 829 CZ PHE A 57 10.107 -2.734 -4.957 1.00 0.00 C ATOM 0 H PHE A 57 7.245 3.063 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 57 9.249 1.648 -4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.804 1.225 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.411 1.556 -6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.278 0.416 -5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.429 -1.092 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.982 -1.844 -4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.146 -3.354 -5.515 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.422 -3.728 -4.675 1.00 0.00 H new ATOM 839 N GLU A 58 10.169 4.103 -5.955 1.00 0.00 N ATOM 840 CA GLU A 58 11.335 4.973 -6.285 1.00 0.00 C ATOM 841 C GLU A 58 11.791 5.738 -5.038 1.00 0.00 C ATOM 842 O GLU A 58 12.864 6.306 -5.012 1.00 0.00 O ATOM 843 CB GLU A 58 10.927 5.965 -7.372 1.00 0.00 C ATOM 844 CG GLU A 58 11.648 5.605 -8.673 1.00 0.00 C ATOM 845 CD GLU A 58 11.109 6.477 -9.810 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.951 7.660 -9.556 1.00 0.00 O ATOM 847 OE2 GLU A 58 10.885 5.910 -10.866 1.00 0.00 O ATOM 0 H GLU A 58 9.274 4.404 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 58 12.158 4.353 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.847 5.938 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.182 6.981 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.722 5.757 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.498 4.551 -8.906 1.00 0.00 H new ATOM 854 N ASP A 59 10.963 5.734 -4.028 1.00 0.00 N ATOM 855 CA ASP A 59 11.331 6.454 -2.775 1.00 0.00 C ATOM 856 C ASP A 59 12.179 5.548 -1.878 1.00 0.00 C ATOM 857 O ASP A 59 12.312 5.790 -0.696 1.00 0.00 O ATOM 858 CB ASP A 59 10.055 6.855 -2.036 1.00 0.00 C ATOM 859 CG ASP A 59 9.330 7.943 -2.830 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.899 8.356 -3.827 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.249 8.300 -2.395 1.00 0.00 O ATOM 0 H ASP A 59 10.056 5.268 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 59 11.909 7.343 -3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.407 5.988 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.299 7.219 -1.038 1.00 0.00 H new ATOM 866 N CYS A 60 12.732 4.522 -2.463 1.00 0.00 N ATOM 867 CA CYS A 60 13.574 3.587 -1.662 1.00 0.00 C ATOM 868 C CYS A 60 15.045 4.058 -1.681 1.00 0.00 C ATOM 869 O CYS A 60 15.448 4.777 -2.575 1.00 0.00 O ATOM 870 CB CYS A 60 13.472 2.193 -2.280 1.00 0.00 C ATOM 871 SG CYS A 60 12.260 1.064 -1.565 1.00 0.00 S ATOM 0 H CYS A 60 12.639 4.291 -3.452 1.00 0.00 H new ATOM 0 HA CYS A 60 13.226 3.566 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.243 2.309 -3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.453 1.722 -2.215 1.00 0.00 H new