USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 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 70 LYS NZ :NH3+ 180:sc= 0.909 (180deg=0.909) USER MOD Set 1.2: A 71 ASN : amide:sc= -0.0131 K(o=0.9,f=-1!) USER MOD Set 2.1: A 62 THR OG1 : rot -41:sc= 0.483 USER MOD Set 2.2: A 65 ASN : amide:sc= 1.86 K(o=2.3,f=-5.9!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 140:sc= 0.414 (180deg=-0.155) USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.539 K(o=-0.12,f=-0.83) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -172:sc= 0 (180deg=-0.0393) USER MOD Single : A 26 GLN : amide:sc= 1.19 K(o=1.2,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.09) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 79:sc= 0.407 USER MOD Single : A 42 SER OG : rot -48:sc= 0.202 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.854 K(o=0.85,f=-5!) USER MOD Single : A 53 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.011) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.0237 K(o=0.024,f=-0.91) USER MOD Single : A 73 THR OG1 : rot 72:sc= 1.65 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.902 -5.452 -15.094 1.00 0.00 N ATOM 92 CA ILE A 7 12.017 -5.704 -13.648 1.00 0.00 C ATOM 93 C ILE A 7 13.438 -5.404 -13.145 1.00 0.00 C ATOM 94 O ILE A 7 14.424 -5.787 -13.782 1.00 0.00 O ATOM 95 CB ILE A 7 11.563 -7.142 -13.301 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.164 -7.425 -13.903 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.569 -7.354 -11.776 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.515 -8.755 -13.506 1.00 0.00 C ATOM 0 HA ILE A 7 11.346 -5.021 -13.126 1.00 0.00 H new ATOM 0 HB ILE A 7 12.267 -7.849 -13.740 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.495 -6.616 -13.610 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.246 -7.394 -14.990 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.247 -8.370 -11.549 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.577 -7.198 -11.391 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.887 -6.644 -11.307 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.541 -8.842 -13.987 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.152 -9.580 -13.824 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.390 -8.790 -12.424 1.00 0.00 H new ATOM 110 N VAL A 8 13.545 -4.749 -11.983 1.00 0.00 N ATOM 111 CA VAL A 8 14.807 -4.360 -11.330 1.00 0.00 C ATOM 112 C VAL A 8 14.812 -4.713 -9.836 1.00 0.00 C ATOM 113 O VAL A 8 13.840 -4.462 -9.124 1.00 0.00 O ATOM 114 CB VAL A 8 15.111 -2.860 -11.541 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.530 -2.585 -12.989 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.960 -1.911 -11.181 1.00 0.00 C ATOM 0 H VAL A 8 12.725 -4.463 -11.449 1.00 0.00 H new ATOM 0 HA VAL A 8 15.601 -4.936 -11.805 1.00 0.00 H new ATOM 0 HB VAL A 8 15.925 -2.651 -10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.738 -1.522 -13.112 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.426 -3.160 -13.224 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.724 -2.877 -13.663 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.267 -0.881 -11.362 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.091 -2.144 -11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.703 -2.033 -10.129 1.00 0.00 H new ATOM 126 N LYS A 9 15.917 -5.291 -9.346 1.00 0.00 N ATOM 127 CA LYS A 9 16.138 -5.572 -7.913 1.00 0.00 C ATOM 128 C LYS A 9 16.498 -4.306 -7.139 1.00 0.00 C ATOM 129 O LYS A 9 17.257 -3.473 -7.634 1.00 0.00 O ATOM 130 CB LYS A 9 17.228 -6.641 -7.729 1.00 0.00 C ATOM 131 CG LYS A 9 16.681 -8.034 -8.061 1.00 0.00 C ATOM 132 CD LYS A 9 17.783 -9.100 -8.038 1.00 0.00 C ATOM 133 CE LYS A 9 17.184 -10.471 -8.376 1.00 0.00 C ATOM 134 NZ LYS A 9 18.219 -11.537 -8.380 1.00 0.00 N ATOM 0 H LYS A 9 16.695 -5.582 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 9 15.201 -5.954 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.078 -6.416 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.592 -6.623 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.904 -8.299 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.214 -8.016 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.563 -8.846 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.253 -9.130 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.409 -10.719 -7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.703 -10.427 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.777 -12.449 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.945 -11.313 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.660 -11.596 -7.440 1.00 0.00 H new ATOM 148 N VAL A 10 16.001 -4.197 -5.911 1.00 0.00 N ATOM 149 CA VAL A 10 16.205 -3.052 -5.000 1.00 0.00 C ATOM 150 C VAL A 10 16.366 -3.502 -3.544 1.00 0.00 C ATOM 151 O VAL A 10 15.893 -4.575 -3.163 1.00 0.00 O ATOM 152 CB VAL A 10 15.061 -2.020 -5.113 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.949 -1.438 -6.527 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.693 -2.580 -4.699 1.00 0.00 C ATOM 0 H VAL A 10 15.421 -4.927 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 10 17.132 -2.572 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 10 15.331 -1.230 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.132 -0.717 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.882 -0.941 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.753 -2.242 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.935 -1.803 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.437 -3.424 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.734 -2.911 -3.661 1.00 0.00 H new ATOM 164 N ALA A 11 17.002 -2.662 -2.721 1.00 0.00 N ATOM 165 CA ALA A 11 17.109 -2.832 -1.267 1.00 0.00 C ATOM 166 C ALA A 11 16.451 -1.643 -0.548 1.00 0.00 C ATOM 167 O ALA A 11 16.824 -0.497 -0.795 1.00 0.00 O ATOM 168 CB ALA A 11 18.587 -2.979 -0.885 1.00 0.00 C ATOM 0 H ALA A 11 17.470 -1.821 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 11 16.583 -3.734 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.673 -3.106 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.008 -3.850 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.132 -2.086 -1.190 1.00 0.00 H new ATOM 174 N ILE A 12 15.471 -1.899 0.321 1.00 0.00 N ATOM 175 CA ILE A 12 14.617 -0.865 0.927 1.00 0.00 C ATOM 176 C ILE A 12 14.911 -0.724 2.425 1.00 0.00 C ATOM 177 O ILE A 12 14.848 -1.694 3.179 1.00 0.00 O ATOM 178 CB ILE A 12 13.122 -1.149 0.663 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.837 -1.369 -0.843 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.253 0.010 1.200 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.497 -2.052 -1.090 1.00 0.00 C ATOM 0 H ILE A 12 15.242 -2.843 0.631 1.00 0.00 H new ATOM 0 HA ILE A 12 14.852 0.088 0.454 1.00 0.00 H new ATOM 0 HB ILE A 12 12.865 -2.068 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.851 -0.408 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.634 -1.973 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.202 -0.204 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.411 0.116 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.533 0.937 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.347 -2.182 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.490 -3.026 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.695 -1.437 -0.683 1.00 0.00 H new ATOM 193 N GLU A 13 15.205 0.498 2.855 1.00 0.00 N ATOM 194 CA GLU A 13 15.435 0.890 4.250 1.00 0.00 C ATOM 195 C GLU A 13 14.127 1.177 5.011 1.00 0.00 C ATOM 196 O GLU A 13 13.205 1.803 4.477 1.00 0.00 O ATOM 197 CB GLU A 13 16.331 2.143 4.296 1.00 0.00 C ATOM 198 CG GLU A 13 17.760 1.932 3.762 1.00 0.00 C ATOM 199 CD GLU A 13 18.627 0.985 4.619 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.698 0.552 4.128 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.275 0.690 5.787 1.00 0.00 O ATOM 0 H GLU A 13 15.295 1.285 2.212 1.00 0.00 H new ATOM 0 HA GLU A 13 15.923 0.048 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.855 2.935 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.391 2.493 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.701 1.534 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.257 2.900 3.696 1.00 0.00 H new ATOM 208 N TRP A 14 14.085 0.784 6.288 1.00 0.00 N ATOM 209 CA TRP A 14 13.038 1.128 7.262 1.00 0.00 C ATOM 210 C TRP A 14 13.593 1.053 8.705 1.00 0.00 C ATOM 211 O TRP A 14 14.414 0.167 8.975 1.00 0.00 O ATOM 212 CB TRP A 14 11.837 0.188 7.083 1.00 0.00 C ATOM 213 CG TRP A 14 10.687 0.426 8.012 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.341 -0.362 9.053 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.752 1.547 8.035 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.257 0.185 9.714 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.864 1.377 9.140 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.605 2.724 7.269 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.872 2.316 9.459 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.620 3.678 7.586 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.752 3.476 8.675 1.00 0.00 C ATOM 0 H TRP A 14 14.811 0.191 6.691 1.00 0.00 H new ATOM 0 HA TRP A 14 12.708 2.152 7.086 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.478 0.278 6.058 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.179 -0.839 7.212 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.837 -1.281 9.328 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.805 -0.239 10.524 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.259 2.895 6.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.210 2.150 10.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.530 4.573 6.988 1.00 0.00 H new ATOM 0 HH2 TRP A 14 6.995 4.211 8.908 1.00 0.00 H new ATOM 232 N PRO A 15 13.204 1.943 9.646 1.00 0.00 N ATOM 233 CA PRO A 15 13.785 1.977 10.992 1.00 0.00 C ATOM 234 C PRO A 15 13.529 0.701 11.810 1.00 0.00 C ATOM 235 O PRO A 15 12.449 0.108 11.751 1.00 0.00 O ATOM 236 CB PRO A 15 13.198 3.217 11.680 1.00 0.00 C ATOM 237 CG PRO A 15 12.809 4.115 10.508 1.00 0.00 C ATOM 238 CD PRO A 15 12.329 3.094 9.482 1.00 0.00 C ATOM 0 HA PRO A 15 14.871 2.029 10.920 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.336 2.965 12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.927 3.699 12.332 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.026 4.824 10.778 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.654 4.698 10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.287 2.824 9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.391 3.494 8.470 1.00 0.00 H new ATOM 246 N GLY A 16 14.522 0.291 12.607 1.00 0.00 N ATOM 247 CA GLY A 16 14.433 -0.874 13.501 1.00 0.00 C ATOM 248 C GLY A 16 14.399 -2.244 12.801 1.00 0.00 C ATOM 249 O GLY A 16 14.065 -3.243 13.443 1.00 0.00 O ATOM 0 H GLY A 16 15.424 0.765 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.284 -0.854 14.181 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.535 -0.775 14.111 1.00 0.00 H new ATOM 253 N ALA A 17 14.730 -2.308 11.506 1.00 0.00 N ATOM 254 CA ALA A 17 14.686 -3.520 10.681 1.00 0.00 C ATOM 255 C ALA A 17 15.873 -3.615 9.702 1.00 0.00 C ATOM 256 O ALA A 17 16.484 -2.609 9.328 1.00 0.00 O ATOM 257 CB ALA A 17 13.345 -3.554 9.934 1.00 0.00 C ATOM 0 H ALA A 17 15.047 -1.489 10.986 1.00 0.00 H new ATOM 0 HA ALA A 17 14.772 -4.388 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.296 -4.450 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.527 -3.565 10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.259 -2.671 9.301 1.00 0.00 H new ATOM 263 N TYR A 18 16.181 -4.838 9.263 1.00 0.00 N ATOM 264 CA TYR A 18 17.137 -5.101 8.180 1.00 0.00 C ATOM 265 C TYR A 18 16.588 -4.625 6.814 1.00 0.00 C ATOM 266 O TYR A 18 15.364 -4.625 6.625 1.00 0.00 O ATOM 267 CB TYR A 18 17.460 -6.602 8.135 1.00 0.00 C ATOM 268 CG TYR A 18 18.058 -7.154 9.419 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.276 -7.942 10.287 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.401 -6.871 9.743 1.00 0.00 C ATOM 271 CE1 TYR A 18 17.834 -8.444 11.479 1.00 0.00 C ATOM 272 CE2 TYR A 18 19.961 -7.372 10.935 1.00 0.00 C ATOM 273 CZ TYR A 18 19.178 -8.161 11.808 1.00 0.00 C ATOM 274 OH TYR A 18 19.709 -8.652 12.962 1.00 0.00 O ATOM 0 H TYR A 18 15.769 -5.685 9.654 1.00 0.00 H new ATOM 0 HA TYR A 18 18.049 -4.539 8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.546 -7.151 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.155 -6.787 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.248 -8.161 10.038 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.001 -6.269 9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.232 -9.047 12.143 1.00 0.00 H new ATOM 0 HE2 TYR A 18 20.989 -7.153 11.182 1.00 0.00 H new ATOM 0 HH TYR A 18 20.644 -8.367 13.039 1.00 0.00 H new ATOM 284 N PRO A 19 17.446 -4.257 5.838 1.00 0.00 N ATOM 285 CA PRO A 19 16.999 -3.829 4.510 1.00 0.00 C ATOM 286 C PRO A 19 16.204 -4.923 3.780 1.00 0.00 C ATOM 287 O PRO A 19 16.669 -6.060 3.651 1.00 0.00 O ATOM 288 CB PRO A 19 18.262 -3.429 3.738 1.00 0.00 C ATOM 289 CG PRO A 19 19.266 -3.109 4.843 1.00 0.00 C ATOM 290 CD PRO A 19 18.889 -4.094 5.947 1.00 0.00 C ATOM 0 HA PRO A 19 16.308 -2.990 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.614 -4.237 3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.084 -2.567 3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.293 -3.252 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.181 -2.075 5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.404 -5.046 5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.169 -3.711 6.928 1.00 0.00 H new ATOM 298 N LYS A 20 15.010 -4.584 3.280 1.00 0.00 N ATOM 299 CA LYS A 20 14.154 -5.497 2.508 1.00 0.00 C ATOM 300 C LYS A 20 14.618 -5.555 1.053 1.00 0.00 C ATOM 301 O LYS A 20 14.475 -4.581 0.315 1.00 0.00 O ATOM 302 CB LYS A 20 12.679 -5.077 2.654 1.00 0.00 C ATOM 303 CG LYS A 20 11.731 -5.877 1.746 1.00 0.00 C ATOM 304 CD LYS A 20 10.259 -5.618 2.101 1.00 0.00 C ATOM 305 CE LYS A 20 9.282 -6.246 1.093 1.00 0.00 C ATOM 306 NZ LYS A 20 9.394 -7.729 1.016 1.00 0.00 N ATOM 0 H LYS A 20 14.604 -3.656 3.401 1.00 0.00 H new ATOM 0 HA LYS A 20 14.239 -6.510 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.372 -5.205 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.585 -4.016 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.908 -5.607 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.947 -6.941 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.054 -6.017 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.085 -4.543 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.262 -5.979 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.466 -5.822 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.711 -8.093 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.358 -7.990 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.191 -8.141 1.949 1.00 0.00 H new ATOM 320 N LEU A 21 15.160 -6.699 0.639 1.00 0.00 N ATOM 321 CA LEU A 21 15.444 -6.999 -0.766 1.00 0.00 C ATOM 322 C LEU A 21 14.145 -7.404 -1.479 1.00 0.00 C ATOM 323 O LEU A 21 13.430 -8.291 -1.004 1.00 0.00 O ATOM 324 CB LEU A 21 16.502 -8.115 -0.863 1.00 0.00 C ATOM 325 CG LEU A 21 17.914 -7.680 -0.424 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.803 -8.907 -0.221 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.578 -6.785 -1.472 1.00 0.00 C ATOM 0 H LEU A 21 15.418 -7.453 1.276 1.00 0.00 H new ATOM 0 HA LEU A 21 15.844 -6.111 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.185 -8.957 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.546 -8.471 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 21 17.803 -7.124 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.798 -8.588 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.371 -9.546 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.875 -9.463 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.572 -6.498 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.662 -7.328 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.974 -5.890 -1.622 1.00 0.00 H new ATOM 339 N MET A 22 13.842 -6.775 -2.617 1.00 0.00 N ATOM 340 CA MET A 22 12.699 -7.136 -3.470 1.00 0.00 C ATOM 341 C MET A 22 12.908 -6.723 -4.936 1.00 0.00 C ATOM 342 O MET A 22 13.925 -6.127 -5.293 1.00 0.00 O ATOM 343 CB MET A 22 11.392 -6.563 -2.886 1.00 0.00 C ATOM 344 CG MET A 22 11.157 -5.069 -3.121 1.00 0.00 C ATOM 345 SD MET A 22 9.541 -4.519 -2.506 1.00 0.00 S ATOM 346 CE MET A 22 8.427 -5.167 -3.782 1.00 0.00 C ATOM 0 H MET A 22 14.387 -5.992 -2.979 1.00 0.00 H new ATOM 0 HA MET A 22 12.619 -8.223 -3.476 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.554 -7.115 -3.311 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.384 -6.748 -1.812 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.944 -4.498 -2.628 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.229 -4.856 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.420 -4.786 -3.613 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.775 -4.849 -4.765 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.415 -6.256 -3.736 1.00 0.00 H new ATOM 356 N GLU A 23 11.933 -7.037 -5.790 1.00 0.00 N ATOM 357 CA GLU A 23 11.907 -6.658 -7.206 1.00 0.00 C ATOM 358 C GLU A 23 10.792 -5.643 -7.496 1.00 0.00 C ATOM 359 O GLU A 23 9.628 -5.858 -7.147 1.00 0.00 O ATOM 360 CB GLU A 23 11.739 -7.911 -8.079 1.00 0.00 C ATOM 361 CG GLU A 23 13.055 -8.693 -8.191 1.00 0.00 C ATOM 362 CD GLU A 23 12.929 -10.007 -8.990 1.00 0.00 C ATOM 363 OE1 GLU A 23 11.841 -10.633 -9.011 1.00 0.00 O ATOM 364 OE2 GLU A 23 13.944 -10.443 -9.584 1.00 0.00 O ATOM 0 H GLU A 23 11.115 -7.578 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 23 12.856 -6.179 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.967 -8.553 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.400 -7.621 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.804 -8.060 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.419 -8.921 -7.189 1.00 0.00 H new ATOM 371 N ILE A 24 11.152 -4.551 -8.170 1.00 0.00 N ATOM 372 CA ILE A 24 10.229 -3.557 -8.726 1.00 0.00 C ATOM 373 C ILE A 24 10.021 -3.869 -10.209 1.00 0.00 C ATOM 374 O ILE A 24 10.939 -3.739 -11.019 1.00 0.00 O ATOM 375 CB ILE A 24 10.760 -2.123 -8.467 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.629 -1.836 -6.952 1.00 0.00 C ATOM 377 CG2 ILE A 24 10.030 -1.054 -9.306 1.00 0.00 C ATOM 378 CD1 ILE A 24 11.042 -0.429 -6.511 1.00 0.00 C ATOM 0 H ILE A 24 12.130 -4.324 -8.351 1.00 0.00 H new ATOM 0 HA ILE A 24 9.258 -3.606 -8.234 1.00 0.00 H new ATOM 0 HB ILE A 24 11.803 -2.070 -8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.593 -2.001 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.235 -2.561 -6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.444 -0.071 -9.083 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.162 -1.271 -10.366 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.967 -1.064 -9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.912 -0.333 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.088 -0.260 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.420 0.309 -7.019 1.00 0.00 H new ATOM 390 N ASP A 25 8.810 -4.297 -10.565 1.00 0.00 N ATOM 391 CA ASP A 25 8.371 -4.418 -11.956 1.00 0.00 C ATOM 392 C ASP A 25 7.822 -3.067 -12.424 1.00 0.00 C ATOM 393 O ASP A 25 6.826 -2.578 -11.885 1.00 0.00 O ATOM 394 CB ASP A 25 7.323 -5.534 -12.075 1.00 0.00 C ATOM 395 CG ASP A 25 6.799 -5.761 -13.506 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.972 -6.683 -13.687 1.00 0.00 O ATOM 397 OD2 ASP A 25 7.201 -5.027 -14.439 1.00 0.00 O ATOM 0 H ASP A 25 8.098 -4.573 -9.889 1.00 0.00 H new ATOM 0 HA ASP A 25 9.210 -4.687 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.756 -6.464 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.481 -5.296 -11.425 1.00 0.00 H new ATOM 402 N GLN A 26 8.453 -2.457 -13.428 1.00 0.00 N ATOM 403 CA GLN A 26 8.057 -1.136 -13.927 1.00 0.00 C ATOM 404 C GLN A 26 6.666 -1.120 -14.598 1.00 0.00 C ATOM 405 O GLN A 26 6.087 -0.042 -14.759 1.00 0.00 O ATOM 406 CB GLN A 26 9.159 -0.546 -14.826 1.00 0.00 C ATOM 407 CG GLN A 26 10.525 -0.344 -14.129 1.00 0.00 C ATOM 408 CD GLN A 26 10.590 0.815 -13.127 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.608 1.252 -12.538 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.760 1.365 -12.887 1.00 0.00 N ATOM 0 H GLN A 26 9.251 -2.862 -13.918 1.00 0.00 H new ATOM 0 HA GLN A 26 7.948 -0.486 -13.059 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.299 -1.203 -15.685 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.818 0.415 -15.212 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.788 -1.265 -13.610 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.284 -0.182 -14.895 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.593 1.020 -13.364 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.834 2.136 -12.224 1.00 0.00 H new ATOM 419 N LYS A 27 6.085 -2.284 -14.943 1.00 0.00 N ATOM 420 CA LYS A 27 4.706 -2.430 -15.423 1.00 0.00 C ATOM 421 C LYS A 27 3.656 -2.438 -14.295 1.00 0.00 C ATOM 422 O LYS A 27 2.532 -1.984 -14.517 1.00 0.00 O ATOM 423 CB LYS A 27 4.690 -3.736 -16.229 1.00 0.00 C ATOM 424 CG LYS A 27 3.367 -4.096 -16.899 1.00 0.00 C ATOM 425 CD LYS A 27 2.894 -3.073 -17.942 1.00 0.00 C ATOM 426 CE LYS A 27 1.621 -3.581 -18.628 1.00 0.00 C ATOM 427 NZ LYS A 27 1.129 -2.620 -19.651 1.00 0.00 N ATOM 0 H LYS A 27 6.581 -3.174 -14.892 1.00 0.00 H new ATOM 0 HA LYS A 27 4.424 -1.570 -16.030 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.459 -3.673 -16.999 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.971 -4.553 -15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.468 -5.069 -17.380 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.599 -4.198 -16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.701 -2.113 -17.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.676 -2.907 -18.683 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.820 -4.544 -19.099 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.845 -3.746 -17.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.267 -2.996 -20.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.916 -1.709 -19.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.860 -2.482 -20.378 1.00 0.00 H new ATOM 441 N LYS A 28 3.995 -2.932 -13.094 1.00 0.00 N ATOM 442 CA LYS A 28 3.092 -2.959 -11.920 1.00 0.00 C ATOM 443 C LYS A 28 2.916 -1.558 -11.317 1.00 0.00 C ATOM 444 O LYS A 28 3.893 -0.809 -11.268 1.00 0.00 O ATOM 445 CB LYS A 28 3.609 -3.938 -10.849 1.00 0.00 C ATOM 446 CG LYS A 28 3.296 -5.397 -11.207 1.00 0.00 C ATOM 447 CD LYS A 28 3.813 -6.395 -10.158 1.00 0.00 C ATOM 448 CE LYS A 28 3.079 -6.274 -8.814 1.00 0.00 C ATOM 449 NZ LYS A 28 3.545 -7.298 -7.846 1.00 0.00 N ATOM 0 H LYS A 28 4.914 -3.330 -12.903 1.00 0.00 H new ATOM 0 HA LYS A 28 2.118 -3.305 -12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.686 -3.815 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.157 -3.695 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.218 -5.516 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.740 -5.632 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.699 -7.409 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.879 -6.232 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.240 -5.279 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.006 -6.383 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.950 -7.266 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.479 -8.241 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.533 -7.105 -7.586 1.00 0.00 H new ATOM 463 N PRO A 29 1.720 -1.191 -10.822 1.00 0.00 N ATOM 464 CA PRO A 29 1.485 0.105 -10.182 1.00 0.00 C ATOM 465 C PRO A 29 2.255 0.217 -8.867 1.00 0.00 C ATOM 466 O PRO A 29 2.326 -0.740 -8.091 1.00 0.00 O ATOM 467 CB PRO A 29 -0.027 0.178 -9.942 1.00 0.00 C ATOM 468 CG PRO A 29 -0.450 -1.285 -9.833 1.00 0.00 C ATOM 469 CD PRO A 29 0.528 -2.025 -10.739 1.00 0.00 C ATOM 0 HA PRO A 29 1.832 0.928 -10.807 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.261 0.731 -9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.538 0.682 -10.762 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.389 -1.642 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.480 -1.427 -10.159 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.768 -3.007 -10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.097 -2.186 -11.727 1.00 0.00 H new ATOM 477 N LEU A 30 2.781 1.409 -8.577 1.00 0.00 N ATOM 478 CA LEU A 30 3.491 1.666 -7.323 1.00 0.00 C ATOM 479 C LEU A 30 2.606 1.419 -6.096 1.00 0.00 C ATOM 480 O LEU A 30 3.116 0.936 -5.096 1.00 0.00 O ATOM 481 CB LEU A 30 4.032 3.102 -7.316 1.00 0.00 C ATOM 482 CG LEU A 30 5.229 3.294 -8.261 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.405 4.782 -8.526 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.529 2.742 -7.672 1.00 0.00 C ATOM 0 H LEU A 30 2.728 2.216 -9.198 1.00 0.00 H new ATOM 0 HA LEU A 30 4.323 0.964 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.234 3.787 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.330 3.368 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 30 5.021 2.746 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.251 4.935 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.501 5.179 -8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.589 5.300 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.345 2.902 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.752 3.256 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.418 1.675 -7.482 1.00 0.00 H new ATOM 496 N SER A 31 1.294 1.656 -6.170 1.00 0.00 N ATOM 497 CA SER A 31 0.357 1.368 -5.070 1.00 0.00 C ATOM 498 C SER A 31 0.364 -0.112 -4.655 1.00 0.00 C ATOM 499 O SER A 31 0.387 -0.418 -3.460 1.00 0.00 O ATOM 500 CB SER A 31 -1.067 1.774 -5.473 1.00 0.00 C ATOM 501 OG SER A 31 -1.107 3.119 -5.927 1.00 0.00 O ATOM 0 H SER A 31 0.846 2.054 -6.995 1.00 0.00 H new ATOM 0 HA SER A 31 0.691 1.952 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.429 1.111 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.737 1.654 -4.622 1.00 0.00 H new ATOM 0 HG SER A 31 -2.025 3.352 -6.179 1.00 0.00 H new ATOM 507 N ALA A 32 0.406 -1.038 -5.624 1.00 0.00 N ATOM 508 CA ALA A 32 0.518 -2.476 -5.353 1.00 0.00 C ATOM 509 C ALA A 32 1.911 -2.859 -4.820 1.00 0.00 C ATOM 510 O ALA A 32 2.026 -3.638 -3.873 1.00 0.00 O ATOM 511 CB ALA A 32 0.182 -3.246 -6.638 1.00 0.00 C ATOM 0 H ALA A 32 0.363 -0.810 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.190 -2.743 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.261 -4.317 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.834 -3.006 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.880 -2.962 -7.425 1.00 0.00 H new ATOM 517 N ILE A 33 2.972 -2.272 -5.387 1.00 0.00 N ATOM 518 CA ILE A 33 4.357 -2.501 -4.945 1.00 0.00 C ATOM 519 C ILE A 33 4.552 -2.004 -3.506 1.00 0.00 C ATOM 520 O ILE A 33 5.075 -2.736 -2.676 1.00 0.00 O ATOM 521 CB ILE A 33 5.354 -1.845 -5.929 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.222 -2.487 -7.332 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.804 -1.961 -5.423 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.996 -1.753 -8.430 1.00 0.00 C ATOM 0 H ILE A 33 2.896 -1.622 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 33 4.558 -3.572 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 33 5.109 -0.785 -5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.572 -3.518 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.168 -2.521 -7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.478 -1.490 -6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.893 -1.463 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.068 -3.013 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.852 -2.265 -9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.631 -0.729 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.057 -1.741 -8.181 1.00 0.00 H new ATOM 536 N ILE A 34 4.076 -0.803 -3.170 1.00 0.00 N ATOM 537 CA ILE A 34 4.154 -0.215 -1.824 1.00 0.00 C ATOM 538 C ILE A 34 3.400 -1.077 -0.804 1.00 0.00 C ATOM 539 O ILE A 34 3.906 -1.269 0.303 1.00 0.00 O ATOM 540 CB ILE A 34 3.660 1.252 -1.858 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.689 2.142 -2.600 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.425 1.821 -0.447 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.091 3.449 -3.138 1.00 0.00 C ATOM 0 H ILE A 34 3.612 -0.193 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 34 5.194 -0.198 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 34 2.706 1.256 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.509 2.379 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.115 1.578 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.079 2.852 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.672 1.223 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.357 1.792 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.867 4.022 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.290 3.220 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.691 4.034 -2.310 1.00 0.00 H new ATOM 555 N LYS A 35 2.255 -1.678 -1.165 1.00 0.00 N ATOM 556 CA LYS A 35 1.585 -2.671 -0.309 1.00 0.00 C ATOM 557 C LYS A 35 2.462 -3.900 -0.051 1.00 0.00 C ATOM 558 O LYS A 35 2.557 -4.349 1.090 1.00 0.00 O ATOM 559 CB LYS A 35 0.217 -3.052 -0.901 1.00 0.00 C ATOM 560 CG LYS A 35 -0.610 -3.843 0.121 1.00 0.00 C ATOM 561 CD LYS A 35 -2.024 -4.116 -0.405 1.00 0.00 C ATOM 562 CE LYS A 35 -2.925 -4.810 0.630 1.00 0.00 C ATOM 563 NZ LYS A 35 -3.090 -4.011 1.876 1.00 0.00 N ATOM 0 H LYS A 35 1.773 -1.493 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 35 1.416 -2.212 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.322 -2.151 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.358 -3.648 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.113 -4.787 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.668 -3.286 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.483 -3.174 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.960 -4.738 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.905 -4.993 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.501 -5.783 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.075 -4.077 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.456 -4.381 2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.855 -3.016 1.684 1.00 0.00 H new ATOM 577 N GLU A 36 3.157 -4.403 -1.069 1.00 0.00 N ATOM 578 CA GLU A 36 4.121 -5.498 -0.951 1.00 0.00 C ATOM 579 C GLU A 36 5.372 -5.114 -0.128 1.00 0.00 C ATOM 580 O GLU A 36 5.937 -5.978 0.547 1.00 0.00 O ATOM 581 CB GLU A 36 4.477 -5.977 -2.367 1.00 0.00 C ATOM 582 CG GLU A 36 3.335 -6.776 -3.018 1.00 0.00 C ATOM 583 CD GLU A 36 3.527 -6.979 -4.534 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.517 -7.155 -5.258 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.676 -7.001 -5.036 1.00 0.00 O ATOM 0 H GLU A 36 3.064 -4.053 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 36 3.665 -6.315 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.716 -5.115 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.372 -6.597 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.259 -7.750 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.392 -6.258 -2.843 1.00 0.00 H new ATOM 592 N VAL A 37 5.776 -3.833 -0.102 1.00 0.00 N ATOM 593 CA VAL A 37 6.799 -3.335 0.839 1.00 0.00 C ATOM 594 C VAL A 37 6.259 -3.368 2.273 1.00 0.00 C ATOM 595 O VAL A 37 6.874 -3.977 3.151 1.00 0.00 O ATOM 596 CB VAL A 37 7.303 -1.905 0.533 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.497 -1.581 1.438 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.786 -1.682 -0.898 1.00 0.00 C ATOM 0 H VAL A 37 5.407 -3.116 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 37 7.651 -4.005 0.720 1.00 0.00 H new ATOM 0 HB VAL A 37 6.436 -1.266 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.853 -0.573 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.190 -1.643 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.298 -2.296 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.119 -0.650 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.615 -2.357 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.969 -1.880 -1.593 1.00 0.00 H new ATOM 608 N CYS A 38 5.102 -2.739 2.510 1.00 0.00 N ATOM 609 CA CYS A 38 4.508 -2.578 3.842 1.00 0.00 C ATOM 610 C CYS A 38 4.187 -3.929 4.500 1.00 0.00 C ATOM 611 O CYS A 38 4.495 -4.127 5.674 1.00 0.00 O ATOM 612 CB CYS A 38 3.251 -1.695 3.744 1.00 0.00 C ATOM 613 SG CYS A 38 3.677 -0.014 3.202 1.00 0.00 S ATOM 0 H CYS A 38 4.542 -2.320 1.768 1.00 0.00 H new ATOM 0 HA CYS A 38 5.241 -2.088 4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.544 -2.139 3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.755 -1.654 4.714 1.00 0.00 H new ATOM 0 HG CYS A 38 3.871 -0.009 1.917 1.00 0.00 H new ATOM 619 N ASP A 39 3.648 -4.889 3.740 1.00 0.00 N ATOM 620 CA ASP A 39 3.373 -6.254 4.208 1.00 0.00 C ATOM 621 C ASP A 39 4.642 -6.994 4.683 1.00 0.00 C ATOM 622 O ASP A 39 4.581 -7.797 5.616 1.00 0.00 O ATOM 623 CB ASP A 39 2.694 -7.029 3.068 1.00 0.00 C ATOM 624 CG ASP A 39 2.222 -8.433 3.488 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.462 -9.400 2.727 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.570 -8.569 4.551 1.00 0.00 O ATOM 0 H ASP A 39 3.386 -4.738 2.766 1.00 0.00 H new ATOM 0 HA ASP A 39 2.718 -6.191 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.839 -6.458 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.390 -7.121 2.234 1.00 0.00 H new ATOM 631 N GLY A 40 5.809 -6.672 4.109 1.00 0.00 N ATOM 632 CA GLY A 40 7.113 -7.204 4.527 1.00 0.00 C ATOM 633 C GLY A 40 7.522 -6.829 5.961 1.00 0.00 C ATOM 634 O GLY A 40 8.287 -7.563 6.590 1.00 0.00 O ATOM 0 H GLY A 40 5.874 -6.022 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.093 -8.290 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.877 -6.843 3.838 1.00 0.00 H new ATOM 638 N TRP A 41 6.968 -5.736 6.500 1.00 0.00 N ATOM 639 CA TRP A 41 7.112 -5.293 7.893 1.00 0.00 C ATOM 640 C TRP A 41 5.773 -5.263 8.663 1.00 0.00 C ATOM 641 O TRP A 41 5.686 -4.680 9.746 1.00 0.00 O ATOM 642 CB TRP A 41 7.855 -3.949 7.903 1.00 0.00 C ATOM 643 CG TRP A 41 9.272 -3.995 7.405 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.251 -4.786 7.904 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.895 -3.233 6.323 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.425 -4.575 7.207 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.269 -3.613 6.236 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.446 -2.253 5.410 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.154 -3.047 5.309 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.328 -1.679 4.473 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.674 -2.072 4.421 1.00 0.00 C ATOM 0 H TRP A 41 6.380 -5.107 5.952 1.00 0.00 H new ATOM 0 HA TRP A 41 7.706 -6.025 8.440 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.296 -3.239 7.294 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.858 -3.562 8.922 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.132 -5.478 8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.298 -5.070 7.389 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.413 -1.939 5.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.188 -3.356 5.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.964 -0.928 3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.340 -1.625 3.698 1.00 0.00 H new ATOM 662 N SER A 42 4.722 -5.897 8.122 1.00 0.00 N ATOM 663 CA SER A 42 3.353 -5.938 8.673 1.00 0.00 C ATOM 664 C SER A 42 2.725 -4.547 8.924 1.00 0.00 C ATOM 665 O SER A 42 1.896 -4.366 9.822 1.00 0.00 O ATOM 666 CB SER A 42 3.304 -6.879 9.889 1.00 0.00 C ATOM 667 OG SER A 42 1.971 -7.226 10.239 1.00 0.00 O ATOM 0 H SER A 42 4.803 -6.419 7.250 1.00 0.00 H new ATOM 0 HA SER A 42 2.704 -6.357 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.869 -7.785 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.789 -6.399 10.739 1.00 0.00 H new ATOM 0 HG SER A 42 1.421 -6.416 10.274 1.00 0.00 H new ATOM 673 N LEU A 43 3.133 -3.538 8.146 1.00 0.00 N ATOM 674 CA LEU A 43 2.659 -2.155 8.240 1.00 0.00 C ATOM 675 C LEU A 43 1.241 -2.001 7.662 1.00 0.00 C ATOM 676 O LEU A 43 0.974 -2.381 6.518 1.00 0.00 O ATOM 677 CB LEU A 43 3.660 -1.224 7.527 1.00 0.00 C ATOM 678 CG LEU A 43 4.994 -1.049 8.278 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.022 -0.397 7.358 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.851 -0.176 9.528 1.00 0.00 C ATOM 0 H LEU A 43 3.826 -3.668 7.409 1.00 0.00 H new ATOM 0 HA LEU A 43 2.599 -1.875 9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.864 -1.620 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.199 -0.246 7.393 1.00 0.00 H new ATOM 0 HG LEU A 43 5.315 -2.044 8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.964 -0.275 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.180 -1.029 6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.657 0.579 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.819 -0.084 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.494 0.813 9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.138 -0.635 10.213 1.00 0.00 H new ATOM 692 N ALA A 44 0.338 -1.418 8.454 1.00 0.00 N ATOM 693 CA ALA A 44 -1.021 -1.062 8.046 1.00 0.00 C ATOM 694 C ALA A 44 -1.063 0.225 7.193 1.00 0.00 C ATOM 695 O ALA A 44 -0.108 1.007 7.171 1.00 0.00 O ATOM 696 CB ALA A 44 -1.877 -0.924 9.314 1.00 0.00 C ATOM 0 H ALA A 44 0.539 -1.174 9.424 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.420 -1.849 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.897 -0.658 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.882 -1.871 9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.460 -0.145 9.952 1.00 0.00 H new ATOM 702 N ASN A 45 -2.202 0.462 6.530 1.00 0.00 N ATOM 703 CA ASN A 45 -2.511 1.683 5.769 1.00 0.00 C ATOM 704 C ASN A 45 -1.446 2.037 4.707 1.00 0.00 C ATOM 705 O ASN A 45 -0.921 3.154 4.677 1.00 0.00 O ATOM 706 CB ASN A 45 -2.834 2.845 6.733 1.00 0.00 C ATOM 707 CG ASN A 45 -3.924 2.518 7.742 1.00 0.00 C ATOM 708 OD1 ASN A 45 -4.975 1.986 7.412 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.707 2.805 9.006 1.00 0.00 N ATOM 0 H ASN A 45 -2.964 -0.216 6.507 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.406 1.486 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.927 3.123 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.139 3.714 6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.414 2.584 9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.832 3.249 9.285 1.00 0.00 H new ATOM 716 N HIS A 46 -1.137 1.093 3.807 1.00 0.00 N ATOM 717 CA HIS A 46 -0.136 1.270 2.740 1.00 0.00 C ATOM 718 C HIS A 46 -0.453 2.456 1.808 1.00 0.00 C ATOM 719 O HIS A 46 0.447 2.999 1.173 1.00 0.00 O ATOM 720 CB HIS A 46 -0.024 -0.029 1.929 1.00 0.00 C ATOM 721 CG HIS A 46 -1.207 -0.269 1.022 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.413 -0.885 1.374 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.305 0.199 -0.254 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.202 -0.773 0.289 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.560 -0.134 -0.703 1.00 0.00 N ATOM 0 H HIS A 46 -1.579 0.174 3.797 1.00 0.00 H new ATOM 0 HA HIS A 46 0.816 1.500 3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.885 0.003 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.076 -0.870 2.615 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.543 0.729 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.213 -1.146 0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.938 0.069 -1.628 1.00 0.00 H new ATOM 733 N GLU A 47 -1.716 2.893 1.760 1.00 0.00 N ATOM 734 CA GLU A 47 -2.186 4.070 1.013 1.00 0.00 C ATOM 735 C GLU A 47 -1.449 5.362 1.409 1.00 0.00 C ATOM 736 O GLU A 47 -1.322 6.280 0.595 1.00 0.00 O ATOM 737 CB GLU A 47 -3.695 4.286 1.253 1.00 0.00 C ATOM 738 CG GLU A 47 -4.543 3.007 1.174 1.00 0.00 C ATOM 739 CD GLU A 47 -6.055 3.292 1.094 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.830 2.635 1.829 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.486 4.149 0.284 1.00 0.00 O ATOM 0 H GLU A 47 -2.470 2.420 2.259 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.981 3.865 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.833 4.738 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.068 5.000 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.241 2.430 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.341 2.389 2.049 1.00 0.00 H new ATOM 748 N TYR A 48 -0.961 5.444 2.654 1.00 0.00 N ATOM 749 CA TYR A 48 -0.223 6.601 3.170 1.00 0.00 C ATOM 750 C TYR A 48 1.252 6.603 2.743 1.00 0.00 C ATOM 751 O TYR A 48 1.921 7.626 2.871 1.00 0.00 O ATOM 752 CB TYR A 48 -0.274 6.622 4.707 1.00 0.00 C ATOM 753 CG TYR A 48 -1.621 6.579 5.416 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.856 6.652 4.734 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.614 6.442 6.817 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.066 6.515 5.441 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.820 6.352 7.534 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.053 6.373 6.846 1.00 0.00 C ATOM 759 OH TYR A 48 -5.216 6.241 7.543 1.00 0.00 O ATOM 0 H TYR A 48 -1.070 4.697 3.340 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.706 7.483 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.310 5.774 5.064 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.240 7.524 5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.872 6.814 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.673 6.406 7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.005 6.519 4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.803 6.267 8.611 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.017 6.153 8.498 1.00 0.00 H new ATOM 769 N PHE A 49 1.788 5.464 2.298 1.00 0.00 N ATOM 770 CA PHE A 49 3.216 5.268 2.048 1.00 0.00 C ATOM 771 C PHE A 49 3.647 5.603 0.614 1.00 0.00 C ATOM 772 O PHE A 49 2.853 5.628 -0.328 1.00 0.00 O ATOM 773 CB PHE A 49 3.626 3.848 2.461 1.00 0.00 C ATOM 774 CG PHE A 49 3.770 3.684 3.961 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.649 3.401 4.763 1.00 0.00 C ATOM 776 CD2 PHE A 49 5.035 3.843 4.561 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.790 3.269 6.157 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.172 3.724 5.954 1.00 0.00 C ATOM 779 CZ PHE A 49 4.053 3.432 6.753 1.00 0.00 C ATOM 0 H PHE A 49 1.228 4.635 2.097 1.00 0.00 H new ATOM 0 HA PHE A 49 3.753 5.986 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.883 3.140 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.572 3.595 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.677 3.285 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.899 4.056 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.929 3.043 6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.141 3.857 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.163 3.333 7.823 1.00 0.00 H new ATOM 789 N ALA A 50 4.949 5.839 0.478 1.00 0.00 N ATOM 790 CA ALA A 50 5.693 6.042 -0.753 1.00 0.00 C ATOM 791 C ALA A 50 7.111 5.464 -0.607 1.00 0.00 C ATOM 792 O ALA A 50 7.671 5.397 0.492 1.00 0.00 O ATOM 793 CB ALA A 50 5.734 7.545 -1.067 1.00 0.00 C ATOM 0 H ALA A 50 5.557 5.897 1.295 1.00 0.00 H new ATOM 0 HA ALA A 50 5.205 5.524 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.291 7.709 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.717 7.920 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.223 8.074 -0.249 1.00 0.00 H new ATOM 799 N LEU A 51 7.692 5.033 -1.726 1.00 0.00 N ATOM 800 CA LEU A 51 9.118 4.724 -1.804 1.00 0.00 C ATOM 801 C LEU A 51 9.896 6.029 -2.041 1.00 0.00 C ATOM 802 O LEU A 51 9.344 7.021 -2.521 1.00 0.00 O ATOM 803 CB LEU A 51 9.359 3.677 -2.906 1.00 0.00 C ATOM 804 CG LEU A 51 9.078 2.237 -2.440 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.984 1.309 -3.650 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.192 1.721 -1.523 1.00 0.00 C ATOM 0 H LEU A 51 7.189 4.889 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 51 9.476 4.290 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.724 3.906 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.392 3.748 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 51 8.137 2.247 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.785 0.291 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.175 1.641 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.925 1.332 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.964 0.702 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.140 1.732 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.266 2.361 -0.644 1.00 0.00 H new ATOM 818 N GLN A 52 11.183 6.033 -1.712 1.00 0.00 N ATOM 819 CA GLN A 52 12.063 7.199 -1.808 1.00 0.00 C ATOM 820 C GLN A 52 13.503 6.762 -2.099 1.00 0.00 C ATOM 821 O GLN A 52 13.937 5.721 -1.613 1.00 0.00 O ATOM 822 CB GLN A 52 11.936 7.985 -0.492 1.00 0.00 C ATOM 823 CG GLN A 52 12.748 9.284 -0.428 1.00 0.00 C ATOM 824 CD GLN A 52 12.585 9.990 0.914 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.622 9.389 1.981 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.417 11.292 0.917 1.00 0.00 N ATOM 0 H GLN A 52 11.660 5.202 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 52 11.773 7.845 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.885 8.224 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.247 7.340 0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.802 9.062 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.431 9.951 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.384 11.804 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.319 11.792 1.801 1.00 0.00 H new ATOM 835 N HIS A 53 14.260 7.544 -2.868 1.00 0.00 N ATOM 836 CA HIS A 53 15.701 7.317 -3.074 1.00 0.00 C ATOM 837 C HIS A 53 16.490 7.578 -1.781 1.00 0.00 C ATOM 838 O HIS A 53 16.336 8.629 -1.155 1.00 0.00 O ATOM 839 CB HIS A 53 16.226 8.185 -4.227 1.00 0.00 C ATOM 840 CG HIS A 53 15.993 7.587 -5.594 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.734 6.541 -6.153 1.00 0.00 N ATOM 842 CD2 HIS A 53 15.046 7.980 -6.493 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.219 6.334 -7.377 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.205 7.185 -7.609 1.00 0.00 N ATOM 0 H HIS A 53 13.897 8.355 -3.369 1.00 0.00 H new ATOM 0 HA HIS A 53 15.846 6.271 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.746 9.162 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.295 8.348 -4.089 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.314 8.762 -6.358 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.570 5.589 -8.076 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.649 7.234 -8.463 1.00 0.00 H new ATOM 930 N TYR A 60 11.121 11.336 -3.705 1.00 0.00 N ATOM 931 CA TYR A 60 10.025 10.366 -3.602 1.00 0.00 C ATOM 932 C TYR A 60 9.757 9.712 -4.971 1.00 0.00 C ATOM 933 O TYR A 60 9.840 10.370 -6.012 1.00 0.00 O ATOM 934 CB TYR A 60 8.753 11.039 -3.068 1.00 0.00 C ATOM 935 CG TYR A 60 8.853 11.524 -1.633 1.00 0.00 C ATOM 936 CD1 TYR A 60 9.232 12.853 -1.352 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.543 10.645 -0.575 1.00 0.00 C ATOM 938 CE1 TYR A 60 9.313 13.299 -0.020 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.608 11.095 0.759 1.00 0.00 C ATOM 940 CZ TYR A 60 9.006 12.420 1.041 1.00 0.00 C ATOM 941 OH TYR A 60 9.073 12.861 2.327 1.00 0.00 O ATOM 0 HA TYR A 60 10.320 9.588 -2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.509 11.887 -3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.925 10.334 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.461 13.530 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.255 9.626 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.611 14.316 0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.353 10.425 1.567 1.00 0.00 H new ATOM 0 HH TYR A 60 8.830 12.132 2.936 1.00 0.00 H new ATOM 951 N ILE A 61 9.425 8.420 -4.973 1.00 0.00 N ATOM 952 CA ILE A 61 9.104 7.641 -6.173 1.00 0.00 C ATOM 953 C ILE A 61 7.631 7.834 -6.563 1.00 0.00 C ATOM 954 O ILE A 61 6.729 7.741 -5.727 1.00 0.00 O ATOM 955 CB ILE A 61 9.448 6.150 -5.958 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.922 5.914 -5.553 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.103 5.307 -7.197 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.981 6.491 -6.500 1.00 0.00 C ATOM 0 H ILE A 61 9.370 7.870 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 61 9.713 8.003 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 61 8.828 5.827 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.078 6.341 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.087 4.840 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.358 4.264 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.036 5.388 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.670 5.671 -8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.975 6.265 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.865 6.048 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.857 7.572 -6.570 1.00 0.00 H new ATOM 970 N THR A 62 7.393 8.070 -7.852 1.00 0.00 N ATOM 971 CA THR A 62 6.086 8.320 -8.480 1.00 0.00 C ATOM 972 C THR A 62 6.046 7.702 -9.880 1.00 0.00 C ATOM 973 O THR A 62 7.082 7.392 -10.472 1.00 0.00 O ATOM 974 CB THR A 62 5.787 9.829 -8.599 1.00 0.00 C ATOM 975 OG1 THR A 62 6.629 10.422 -9.564 1.00 0.00 O ATOM 976 CG2 THR A 62 5.936 10.620 -7.300 1.00 0.00 C ATOM 0 H THR A 62 8.152 8.094 -8.533 1.00 0.00 H new ATOM 0 HA THR A 62 5.330 7.863 -7.841 1.00 0.00 H new ATOM 0 HB THR A 62 4.737 9.877 -8.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.535 10.058 -9.476 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.705 11.669 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.250 10.224 -6.552 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.960 10.532 -6.936 1.00 0.00 H new ATOM 984 N GLU A 63 4.854 7.581 -10.469 1.00 0.00 N ATOM 985 CA GLU A 63 4.688 7.104 -11.854 1.00 0.00 C ATOM 986 C GLU A 63 5.363 8.021 -12.904 1.00 0.00 C ATOM 987 O GLU A 63 5.519 7.622 -14.061 1.00 0.00 O ATOM 988 CB GLU A 63 3.188 6.917 -12.161 1.00 0.00 C ATOM 989 CG GLU A 63 2.448 5.916 -11.247 1.00 0.00 C ATOM 990 CD GLU A 63 2.931 4.453 -11.347 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.532 3.626 -10.491 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.701 4.107 -12.274 1.00 0.00 O ATOM 0 H GLU A 63 3.975 7.809 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 63 5.200 6.145 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.695 7.886 -12.085 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.084 6.586 -13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.553 6.246 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.385 5.948 -11.486 1.00 0.00 H new ATOM 999 N LYS A 64 5.795 9.233 -12.510 1.00 0.00 N ATOM 1000 CA LYS A 64 6.526 10.202 -13.348 1.00 0.00 C ATOM 1001 C LYS A 64 8.058 10.065 -13.297 1.00 0.00 C ATOM 1002 O LYS A 64 8.720 10.542 -14.222 1.00 0.00 O ATOM 1003 CB LYS A 64 6.110 11.632 -12.951 1.00 0.00 C ATOM 1004 CG LYS A 64 4.612 11.901 -13.170 1.00 0.00 C ATOM 1005 CD LYS A 64 4.258 13.355 -12.831 1.00 0.00 C ATOM 1006 CE LYS A 64 2.761 13.599 -13.059 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.382 15.003 -12.747 1.00 0.00 N ATOM 0 H LYS A 64 5.639 9.578 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 64 6.250 9.984 -14.380 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.354 11.798 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.691 12.349 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.349 11.691 -14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.023 11.226 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.515 13.568 -11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.844 14.034 -13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.509 13.375 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.182 12.918 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.363 15.133 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.600 15.208 -11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.917 15.651 -13.359 1.00 0.00 H new ATOM 1021 N ASN A 65 8.634 9.442 -12.258 1.00 0.00 N ATOM 1022 CA ASN A 65 10.096 9.377 -12.044 1.00 0.00 C ATOM 1023 C ASN A 65 10.655 7.995 -11.634 1.00 0.00 C ATOM 1024 O ASN A 65 11.875 7.838 -11.540 1.00 0.00 O ATOM 1025 CB ASN A 65 10.535 10.497 -11.073 1.00 0.00 C ATOM 1026 CG ASN A 65 10.162 10.254 -9.620 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.416 9.351 -9.280 1.00 0.00 O ATOM 1028 ND2 ASN A 65 10.659 11.050 -8.705 1.00 0.00 N ATOM 0 H ASN A 65 8.098 8.964 -11.534 1.00 0.00 H new ATOM 0 HA ASN A 65 10.545 9.541 -13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.616 10.617 -11.142 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.089 11.437 -11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.421 10.910 -7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.284 11.809 -8.975 1.00 0.00 H new ATOM 1035 N ARG A 66 9.812 6.968 -11.449 1.00 0.00 N ATOM 1036 CA ARG A 66 10.221 5.576 -11.147 1.00 0.00 C ATOM 1037 C ARG A 66 11.212 4.961 -12.143 1.00 0.00 C ATOM 1038 O ARG A 66 11.945 4.040 -11.788 1.00 0.00 O ATOM 1039 CB ARG A 66 8.966 4.694 -11.023 1.00 0.00 C ATOM 1040 CG ARG A 66 8.157 4.604 -12.335 1.00 0.00 C ATOM 1041 CD ARG A 66 6.863 3.808 -12.160 1.00 0.00 C ATOM 1042 NE ARG A 66 7.125 2.411 -11.789 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.214 1.493 -11.557 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.944 1.708 -11.696 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.559 0.304 -11.167 1.00 0.00 N ATOM 0 H ARG A 66 8.800 7.079 -11.505 1.00 0.00 H new ATOM 0 HA ARG A 66 10.765 5.619 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.263 3.691 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.326 5.092 -10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.919 5.609 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.769 4.136 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.249 4.278 -11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.291 3.836 -13.088 1.00 0.00 H new ATOM 0 HE ARG A 66 8.101 2.128 -11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.612 2.624 -11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.276 0.961 -11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.545 0.076 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.844 -0.402 -10.989 1.00 0.00 H new ATOM 1059 N ASN A 67 11.273 5.485 -13.368 1.00 0.00 N ATOM 1060 CA ASN A 67 12.225 5.087 -14.411 1.00 0.00 C ATOM 1061 C ASN A 67 13.701 5.350 -14.029 1.00 0.00 C ATOM 1062 O ASN A 67 14.601 4.752 -14.619 1.00 0.00 O ATOM 1063 CB ASN A 67 11.859 5.823 -15.715 1.00 0.00 C ATOM 1064 CG ASN A 67 10.416 5.605 -16.144 1.00 0.00 C ATOM 1065 OD1 ASN A 67 9.494 6.226 -15.632 1.00 0.00 O ATOM 1066 ND2 ASN A 67 10.168 4.717 -17.081 1.00 0.00 N ATOM 0 H ASN A 67 10.640 6.224 -13.674 1.00 0.00 H new ATOM 0 HA ASN A 67 12.145 4.008 -14.542 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.034 6.891 -15.583 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.522 5.487 -16.512 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.208 4.546 -17.381 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.936 4.199 -17.509 1.00 0.00 H new ATOM 1073 N GLU A 68 13.965 6.211 -13.038 1.00 0.00 N ATOM 1074 CA GLU A 68 15.306 6.434 -12.476 1.00 0.00 C ATOM 1075 C GLU A 68 15.805 5.274 -11.586 1.00 0.00 C ATOM 1076 O GLU A 68 17.000 5.197 -11.293 1.00 0.00 O ATOM 1077 CB GLU A 68 15.323 7.753 -11.680 1.00 0.00 C ATOM 1078 CG GLU A 68 14.992 9.004 -12.516 1.00 0.00 C ATOM 1079 CD GLU A 68 15.898 9.188 -13.751 1.00 0.00 C ATOM 1080 OE1 GLU A 68 17.130 8.963 -13.660 1.00 0.00 O ATOM 1081 OE2 GLU A 68 15.386 9.590 -14.824 1.00 0.00 O ATOM 0 H GLU A 68 13.244 6.781 -12.597 1.00 0.00 H new ATOM 0 HA GLU A 68 15.993 6.489 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.608 7.678 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.308 7.880 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.954 8.945 -12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.076 9.886 -11.881 1.00 0.00 H new ATOM 1088 N ILE A 69 14.923 4.357 -11.161 1.00 0.00 N ATOM 1089 CA ILE A 69 15.296 3.135 -10.437 1.00 0.00 C ATOM 1090 C ILE A 69 15.960 2.144 -11.406 1.00 0.00 C ATOM 1091 O ILE A 69 15.391 1.802 -12.449 1.00 0.00 O ATOM 1092 CB ILE A 69 14.069 2.498 -9.743 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.379 3.488 -8.774 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.475 1.220 -8.987 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.042 2.976 -8.226 1.00 0.00 C ATOM 0 H ILE A 69 13.918 4.445 -11.313 1.00 0.00 H new ATOM 0 HA ILE A 69 16.009 3.395 -9.655 1.00 0.00 H new ATOM 0 HB ILE A 69 13.355 2.239 -10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.049 3.694 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.213 4.433 -9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.598 0.788 -8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.896 0.500 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.220 1.466 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.615 3.721 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.355 2.797 -9.053 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.204 2.046 -7.681 1.00 0.00 H new ATOM 1107 N LYS A 70 17.137 1.640 -11.026 1.00 0.00 N ATOM 1108 CA LYS A 70 17.878 0.558 -11.701 1.00 0.00 C ATOM 1109 C LYS A 70 18.106 -0.649 -10.784 1.00 0.00 C ATOM 1110 O LYS A 70 17.826 -0.593 -9.585 1.00 0.00 O ATOM 1111 CB LYS A 70 19.193 1.114 -12.284 1.00 0.00 C ATOM 1112 CG LYS A 70 20.196 1.590 -11.213 1.00 0.00 C ATOM 1113 CD LYS A 70 21.555 1.996 -11.807 1.00 0.00 C ATOM 1114 CE LYS A 70 22.337 0.843 -12.461 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.808 -0.166 -11.475 1.00 0.00 N ATOM 0 H LYS A 70 17.627 1.988 -10.202 1.00 0.00 H new ATOM 0 HA LYS A 70 17.271 0.185 -12.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.665 0.343 -12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.962 1.947 -12.948 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.772 2.438 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.347 0.794 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.393 2.776 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.167 2.431 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.703 0.353 -13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.195 1.250 -12.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.328 -0.919 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.436 0.291 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.990 -0.577 -10.981 1.00 0.00 H new ATOM 1129 N ASN A 71 18.668 -1.728 -11.326 1.00 0.00 N ATOM 1130 CA ASN A 71 19.126 -2.869 -10.531 1.00 0.00 C ATOM 1131 C ASN A 71 20.164 -2.433 -9.472 1.00 0.00 C ATOM 1132 O ASN A 71 21.124 -1.722 -9.783 1.00 0.00 O ATOM 1133 CB ASN A 71 19.661 -3.977 -11.463 1.00 0.00 C ATOM 1134 CG ASN A 71 20.918 -3.607 -12.247 1.00 0.00 C ATOM 1135 OD1 ASN A 71 21.056 -2.523 -12.800 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.881 -4.496 -12.328 1.00 0.00 N ATOM 0 H ASN A 71 18.819 -1.837 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 71 18.281 -3.280 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.871 -4.864 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.876 -4.247 -12.170 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.732 -4.280 -12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.778 -5.402 -11.872 1.00 0.00 H new ATOM 1143 N GLY A 72 19.961 -2.846 -8.220 1.00 0.00 N ATOM 1144 CA GLY A 72 20.809 -2.493 -7.076 1.00 0.00 C ATOM 1145 C GLY A 72 20.528 -1.118 -6.447 1.00 0.00 C ATOM 1146 O GLY A 72 21.325 -0.666 -5.622 1.00 0.00 O ATOM 0 H GLY A 72 19.181 -3.452 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.690 -3.257 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.851 -2.522 -7.395 1.00 0.00 H new ATOM 1150 N THR A 73 19.428 -0.437 -6.805 1.00 0.00 N ATOM 1151 CA THR A 73 19.062 0.864 -6.199 1.00 0.00 C ATOM 1152 C THR A 73 18.723 0.701 -4.714 1.00 0.00 C ATOM 1153 O THR A 73 17.897 -0.142 -4.350 1.00 0.00 O ATOM 1154 CB THR A 73 17.877 1.536 -6.914 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.180 1.723 -8.274 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.538 2.926 -6.375 1.00 0.00 C ATOM 0 H THR A 73 18.771 -0.763 -7.514 1.00 0.00 H new ATOM 0 HA THR A 73 19.935 1.507 -6.311 1.00 0.00 H new ATOM 0 HB THR A 73 17.033 0.867 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.178 0.856 -8.732 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.693 3.335 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.279 2.853 -5.319 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.400 3.582 -6.493 1.00 0.00 H new ATOM 1164 N ILE A 74 19.329 1.527 -3.853 1.00 0.00 N ATOM 1165 CA ILE A 74 18.958 1.627 -2.436 1.00 0.00 C ATOM 1166 C ILE A 74 17.808 2.636 -2.293 1.00 0.00 C ATOM 1167 O ILE A 74 17.928 3.804 -2.677 1.00 0.00 O ATOM 1168 CB ILE A 74 20.162 1.985 -1.536 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.387 1.080 -1.819 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.748 1.857 -0.055 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.663 1.534 -1.102 1.00 0.00 C ATOM 0 H ILE A 74 20.093 2.147 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 74 18.620 0.650 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 74 20.455 3.011 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.153 0.060 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.572 1.058 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.595 2.109 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.923 2.538 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.433 0.833 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.479 0.854 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.922 2.543 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.497 1.529 -0.025 1.00 0.00 H new ATOM 1183 N LEU A 75 16.692 2.176 -1.735 1.00 0.00 N ATOM 1184 CA LEU A 75 15.469 2.941 -1.494 1.00 0.00 C ATOM 1185 C LEU A 75 15.144 3.006 0.008 1.00 0.00 C ATOM 1186 O LEU A 75 15.795 2.368 0.833 1.00 0.00 O ATOM 1187 CB LEU A 75 14.310 2.313 -2.298 1.00 0.00 C ATOM 1188 CG LEU A 75 14.476 2.302 -3.830 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.282 1.592 -4.465 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.541 3.712 -4.420 1.00 0.00 C ATOM 0 H LEU A 75 16.610 1.209 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 75 15.614 3.967 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.175 1.286 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.393 2.851 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 75 15.413 1.788 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.398 1.583 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.231 0.567 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.364 2.118 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.658 3.649 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.621 4.247 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.390 4.246 -3.994 1.00 0.00 H new ATOM 1202 N ARG A 76 14.112 3.769 0.364 1.00 0.00 N ATOM 1203 CA ARG A 76 13.583 3.974 1.714 1.00 0.00 C ATOM 1204 C ARG A 76 12.055 3.969 1.679 1.00 0.00 C ATOM 1205 O ARG A 76 11.464 4.608 0.809 1.00 0.00 O ATOM 1206 CB ARG A 76 14.156 5.304 2.239 1.00 0.00 C ATOM 1207 CG ARG A 76 13.575 5.732 3.592 1.00 0.00 C ATOM 1208 CD ARG A 76 14.272 6.994 4.112 1.00 0.00 C ATOM 1209 NE ARG A 76 13.734 7.401 5.425 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.859 8.358 5.684 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.336 9.117 4.764 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.485 8.579 6.912 1.00 0.00 N ATOM 0 H ARG A 76 13.586 4.298 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 76 13.880 3.171 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.238 5.213 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.963 6.087 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.506 5.918 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.691 4.924 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.343 6.812 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.142 7.805 3.396 1.00 0.00 H new ATOM 0 HE ARG A 76 14.079 6.880 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.597 8.988 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.665 9.841 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.867 8.015 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.810 9.317 7.115 1.00 0.00 H new ATOM 1226 N LEU A 77 11.416 3.268 2.616 1.00 0.00 N ATOM 1227 CA LEU A 77 9.971 3.369 2.844 1.00 0.00 C ATOM 1228 C LEU A 77 9.673 4.579 3.744 1.00 0.00 C ATOM 1229 O LEU A 77 10.372 4.816 4.730 1.00 0.00 O ATOM 1230 CB LEU A 77 9.446 2.049 3.434 1.00 0.00 C ATOM 1231 CG LEU A 77 7.943 2.039 3.745 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.120 2.080 2.453 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.559 0.778 4.506 1.00 0.00 C ATOM 0 H LEU A 77 11.885 2.612 3.241 1.00 0.00 H new ATOM 0 HA LEU A 77 9.449 3.531 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.664 1.242 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.994 1.833 4.351 1.00 0.00 H new ATOM 0 HG LEU A 77 7.732 2.921 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.058 2.072 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.358 2.988 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.358 1.209 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.490 0.791 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.799 -0.098 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.113 0.736 5.444 1.00 0.00 H new ATOM 1245 N THR A 78 8.643 5.353 3.407 1.00 0.00 N ATOM 1246 CA THR A 78 8.300 6.605 4.099 1.00 0.00 C ATOM 1247 C THR A 78 6.829 6.972 3.865 1.00 0.00 C ATOM 1248 O THR A 78 6.265 6.630 2.827 1.00 0.00 O ATOM 1249 CB THR A 78 9.270 7.717 3.639 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.932 8.965 4.204 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.348 7.901 2.119 1.00 0.00 C ATOM 0 H THR A 78 8.012 5.130 2.637 1.00 0.00 H new ATOM 0 HA THR A 78 8.415 6.479 5.176 1.00 0.00 H new ATOM 0 HB THR A 78 10.244 7.377 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.565 9.646 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.051 8.701 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.686 6.974 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.362 8.160 1.733 1.00 0.00 H new ATOM 1259 N THR A 79 6.165 7.639 4.813 1.00 0.00 N ATOM 1260 CA THR A 79 4.824 8.202 4.572 1.00 0.00 C ATOM 1261 C THR A 79 4.907 9.414 3.634 1.00 0.00 C ATOM 1262 O THR A 79 5.747 10.302 3.807 1.00 0.00 O ATOM 1263 CB THR A 79 4.072 8.547 5.868 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.872 9.301 6.757 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.596 7.288 6.597 1.00 0.00 C ATOM 0 H THR A 79 6.528 7.804 5.752 1.00 0.00 H new ATOM 0 HA THR A 79 4.239 7.422 4.085 1.00 0.00 H new ATOM 0 HB THR A 79 3.210 9.142 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.359 9.502 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.069 7.572 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.924 6.725 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.456 6.669 6.853 1.00 0.00 H new ATOM 1273 N SER A 80 4.036 9.450 2.625 1.00 0.00 N ATOM 1274 CA SER A 80 4.003 10.474 1.574 1.00 0.00 C ATOM 1275 C SER A 80 3.742 11.881 2.141 1.00 0.00 C ATOM 1276 O SER A 80 2.894 12.028 3.029 1.00 0.00 O ATOM 1277 CB SER A 80 2.919 10.112 0.551 1.00 0.00 C ATOM 1278 OG SER A 80 2.724 11.158 -0.386 1.00 0.00 O ATOM 0 H SER A 80 3.308 8.744 2.511 1.00 0.00 H new ATOM 0 HA SER A 80 4.982 10.496 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.201 9.199 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.982 9.905 1.069 1.00 0.00 H new ATOM 0 HG SER A 80 2.029 10.898 -1.026 1.00 0.00 H new