USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 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 35 LYS NZ :NH3+ 144:sc= 0.912 (180deg=-0.204) USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.0622 K(o=0.97,f=-2) 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+ 154:sc= 1.59 (180deg=0.825) USER MOD Single : A 22 MET CE :methyl -140:sc= -0.0812 (180deg=-1.09) USER MOD Single : A 26 GLN : amide:sc= 1.24 K(o=1.2,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.17) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.05) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -27:sc= -0.678 USER MOD Single : A 42 SER OG : rot 180:sc= 0 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 X(o=0,f=-0.33) USER MOD Single : A 53 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.061) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00533 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.837 K(o=0.84,f=-0.12) USER MOD Single : A 67 ASN : amide:sc= 0.492 K(o=0.49,f=-0.68) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.679 K(o=0.68,f=-3.7!) USER MOD Single : A 73 THR OG1 : rot 65:sc= 1.72 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 12.213 -4.949 -15.425 1.00 0.00 N ATOM 92 CA ILE A 7 12.082 -5.205 -13.983 1.00 0.00 C ATOM 93 C ILE A 7 13.427 -4.919 -13.293 1.00 0.00 C ATOM 94 O ILE A 7 14.485 -5.301 -13.804 1.00 0.00 O ATOM 95 CB ILE A 7 11.591 -6.651 -13.719 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.267 -6.925 -14.477 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.433 -6.916 -12.208 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.668 -8.321 -14.263 1.00 0.00 C ATOM 0 HA ILE A 7 11.330 -4.538 -13.562 1.00 0.00 H new ATOM 0 HB ILE A 7 12.346 -7.341 -14.097 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.531 -6.181 -14.171 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.441 -6.782 -15.543 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.087 -7.938 -12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.394 -6.778 -11.712 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.706 -6.219 -11.791 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.745 -8.412 -14.835 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.378 -9.077 -14.597 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.455 -8.467 -13.204 1.00 0.00 H new ATOM 110 N VAL A 8 13.392 -4.258 -12.133 1.00 0.00 N ATOM 111 CA VAL A 8 14.583 -3.776 -11.411 1.00 0.00 C ATOM 112 C VAL A 8 14.595 -4.200 -9.938 1.00 0.00 C ATOM 113 O VAL A 8 13.671 -3.911 -9.176 1.00 0.00 O ATOM 114 CB VAL A 8 14.774 -2.252 -11.574 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.267 -1.918 -12.987 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.519 -1.414 -11.295 1.00 0.00 C ATOM 0 H VAL A 8 12.518 -4.036 -11.655 1.00 0.00 H new ATOM 0 HA VAL A 8 15.441 -4.262 -11.875 1.00 0.00 H new ATOM 0 HB VAL A 8 15.513 -1.986 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.395 -0.840 -13.082 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.221 -2.414 -13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.536 -2.262 -13.718 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.749 -0.358 -11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.726 -1.707 -11.983 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.190 -1.582 -10.269 1.00 0.00 H new ATOM 126 N LYS A 9 15.661 -4.894 -9.525 1.00 0.00 N ATOM 127 CA LYS A 9 15.925 -5.304 -8.136 1.00 0.00 C ATOM 128 C LYS A 9 16.342 -4.109 -7.274 1.00 0.00 C ATOM 129 O LYS A 9 17.160 -3.296 -7.705 1.00 0.00 O ATOM 130 CB LYS A 9 16.988 -6.416 -8.141 1.00 0.00 C ATOM 131 CG LYS A 9 17.167 -7.072 -6.762 1.00 0.00 C ATOM 132 CD LYS A 9 18.164 -8.235 -6.842 1.00 0.00 C ATOM 133 CE LYS A 9 18.335 -8.889 -5.465 1.00 0.00 C ATOM 134 NZ LYS A 9 19.288 -10.030 -5.521 1.00 0.00 N ATOM 0 H LYS A 9 16.391 -5.198 -10.169 1.00 0.00 H new ATOM 0 HA LYS A 9 15.011 -5.696 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.707 -7.178 -8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.941 -6.000 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.521 -6.332 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.206 -7.435 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.813 -8.974 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 9 19.127 -7.873 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.694 -8.148 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.368 -9.238 -5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.382 -10.451 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.932 -10.747 -6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.217 -9.691 -5.843 1.00 0.00 H new ATOM 148 N VAL A 10 15.822 -4.026 -6.052 1.00 0.00 N ATOM 149 CA VAL A 10 16.054 -2.928 -5.095 1.00 0.00 C ATOM 150 C VAL A 10 16.237 -3.444 -3.665 1.00 0.00 C ATOM 151 O VAL A 10 15.760 -4.527 -3.320 1.00 0.00 O ATOM 152 CB VAL A 10 14.920 -1.878 -5.144 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.783 -1.250 -6.535 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.554 -2.437 -4.719 1.00 0.00 C ATOM 0 H VAL A 10 15.202 -4.745 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 10 16.982 -2.444 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 10 15.215 -1.116 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.975 -0.518 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.717 -0.757 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.559 -2.028 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.804 -1.648 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.273 -3.254 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.614 -2.806 -3.695 1.00 0.00 H new ATOM 164 N ALA A 11 16.901 -2.649 -2.824 1.00 0.00 N ATOM 165 CA ALA A 11 17.032 -2.879 -1.382 1.00 0.00 C ATOM 166 C ALA A 11 16.351 -1.739 -0.608 1.00 0.00 C ATOM 167 O ALA A 11 16.740 -0.582 -0.756 1.00 0.00 O ATOM 168 CB ALA A 11 18.522 -2.998 -1.035 1.00 0.00 C ATOM 0 H ALA A 11 17.377 -1.802 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 11 16.537 -3.807 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.634 -3.169 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.958 -3.833 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.034 -2.076 -1.310 1.00 0.00 H new ATOM 174 N ILE A 12 15.325 -2.044 0.191 1.00 0.00 N ATOM 175 CA ILE A 12 14.471 -1.040 0.847 1.00 0.00 C ATOM 176 C ILE A 12 14.786 -0.949 2.343 1.00 0.00 C ATOM 177 O ILE A 12 14.710 -1.937 3.072 1.00 0.00 O ATOM 178 CB ILE A 12 12.973 -1.317 0.595 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.668 -1.473 -0.914 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.113 -0.182 1.194 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.296 -2.089 -1.171 1.00 0.00 C ATOM 0 H ILE A 12 15.058 -3.005 0.405 1.00 0.00 H new ATOM 0 HA ILE A 12 14.694 -0.070 0.402 1.00 0.00 H new ATOM 0 HB ILE A 12 12.723 -2.258 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.720 -0.496 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.435 -2.096 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.059 -0.389 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.289 -0.120 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.384 0.765 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.132 -2.176 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.250 -3.078 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.525 -1.453 -0.737 1.00 0.00 H new ATOM 193 N GLU A 13 15.117 0.252 2.799 1.00 0.00 N ATOM 194 CA GLU A 13 15.390 0.599 4.196 1.00 0.00 C ATOM 195 C GLU A 13 14.116 0.941 4.992 1.00 0.00 C ATOM 196 O GLU A 13 13.204 1.606 4.487 1.00 0.00 O ATOM 197 CB GLU A 13 16.360 1.795 4.244 1.00 0.00 C ATOM 198 CG GLU A 13 17.794 1.464 3.795 1.00 0.00 C ATOM 199 CD GLU A 13 18.638 0.751 4.873 1.00 0.00 C ATOM 200 OE1 GLU A 13 18.082 0.235 5.873 1.00 0.00 O ATOM 201 OE2 GLU A 13 19.883 0.711 4.722 1.00 0.00 O ATOM 0 H GLU A 13 15.208 1.055 2.176 1.00 0.00 H new ATOM 0 HA GLU A 13 15.833 -0.280 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.968 2.591 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.391 2.183 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.750 0.834 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.296 2.387 3.506 1.00 0.00 H new ATOM 208 N TRP A 14 14.100 0.542 6.267 1.00 0.00 N ATOM 209 CA TRP A 14 13.112 0.929 7.282 1.00 0.00 C ATOM 210 C TRP A 14 13.717 0.776 8.699 1.00 0.00 C ATOM 211 O TRP A 14 14.468 -0.183 8.918 1.00 0.00 O ATOM 212 CB TRP A 14 11.841 0.080 7.138 1.00 0.00 C ATOM 213 CG TRP A 14 10.743 0.443 8.090 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.407 -0.244 9.204 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.870 1.615 8.066 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.402 0.423 9.877 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.035 1.581 9.224 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.729 2.725 7.205 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.096 2.585 9.502 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.785 3.737 7.470 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.968 3.668 8.615 1.00 0.00 C ATOM 0 H TRP A 14 14.809 -0.090 6.639 1.00 0.00 H new ATOM 0 HA TRP A 14 12.843 1.975 7.133 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.468 0.176 6.118 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.101 -0.968 7.285 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.856 -1.174 9.520 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.983 0.099 10.749 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.355 2.800 6.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.479 2.527 10.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.687 4.571 6.791 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.245 4.446 8.811 1.00 0.00 H new ATOM 232 N PRO A 15 13.436 1.670 9.673 1.00 0.00 N ATOM 233 CA PRO A 15 14.021 1.598 11.017 1.00 0.00 C ATOM 234 C PRO A 15 13.721 0.293 11.774 1.00 0.00 C ATOM 235 O PRO A 15 12.637 -0.283 11.663 1.00 0.00 O ATOM 236 CB PRO A 15 13.484 2.815 11.778 1.00 0.00 C ATOM 237 CG PRO A 15 13.208 3.818 10.664 1.00 0.00 C ATOM 238 CD PRO A 15 12.702 2.922 9.535 1.00 0.00 C ATOM 0 HA PRO A 15 15.108 1.604 10.933 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.580 2.575 12.338 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.211 3.197 12.494 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.465 4.559 10.959 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.106 4.365 10.377 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.627 2.758 9.616 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.883 3.378 8.561 1.00 0.00 H new ATOM 246 N GLY A 16 14.685 -0.158 12.586 1.00 0.00 N ATOM 247 CA GLY A 16 14.558 -1.348 13.441 1.00 0.00 C ATOM 248 C GLY A 16 14.575 -2.700 12.706 1.00 0.00 C ATOM 249 O GLY A 16 14.261 -3.724 13.318 1.00 0.00 O ATOM 0 H GLY A 16 15.592 0.301 12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.370 -1.340 14.168 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.627 -1.272 14.003 1.00 0.00 H new ATOM 253 N ALA A 17 14.931 -2.722 11.416 1.00 0.00 N ATOM 254 CA ALA A 17 14.946 -3.916 10.566 1.00 0.00 C ATOM 255 C ALA A 17 16.101 -3.904 9.543 1.00 0.00 C ATOM 256 O ALA A 17 16.639 -2.851 9.191 1.00 0.00 O ATOM 257 CB ALA A 17 13.584 -4.030 9.864 1.00 0.00 C ATOM 0 H ALA A 17 15.226 -1.881 10.920 1.00 0.00 H new ATOM 0 HA ALA A 17 15.119 -4.789 11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.576 -4.914 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.795 -4.115 10.612 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.413 -3.142 9.256 1.00 0.00 H new ATOM 263 N TYR A 18 16.465 -5.090 9.048 1.00 0.00 N ATOM 264 CA TYR A 18 17.398 -5.261 7.925 1.00 0.00 C ATOM 265 C TYR A 18 16.768 -4.810 6.585 1.00 0.00 C ATOM 266 O TYR A 18 15.536 -4.848 6.456 1.00 0.00 O ATOM 267 CB TYR A 18 17.836 -6.732 7.851 1.00 0.00 C ATOM 268 CG TYR A 18 18.523 -7.244 9.105 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.848 -6.852 9.387 1.00 0.00 C ATOM 270 CD2 TYR A 18 17.840 -8.100 9.993 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.489 -7.313 10.554 1.00 0.00 C ATOM 272 CE2 TYR A 18 18.479 -8.562 11.160 1.00 0.00 C ATOM 273 CZ TYR A 18 19.805 -8.170 11.445 1.00 0.00 C ATOM 274 OH TYR A 18 20.415 -8.621 12.576 1.00 0.00 O ATOM 0 H TYR A 18 16.116 -5.973 9.420 1.00 0.00 H new ATOM 0 HA TYR A 18 18.269 -4.628 8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.960 -7.350 7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.512 -6.856 7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.372 -6.197 8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.826 -8.402 9.778 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.504 -7.011 10.768 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.953 -9.218 11.838 1.00 0.00 H new ATOM 0 HH TYR A 18 19.798 -9.199 13.072 1.00 0.00 H new ATOM 284 N PRO A 19 17.566 -4.420 5.567 1.00 0.00 N ATOM 285 CA PRO A 19 17.040 -4.004 4.266 1.00 0.00 C ATOM 286 C PRO A 19 16.242 -5.114 3.566 1.00 0.00 C ATOM 287 O PRO A 19 16.718 -6.245 3.425 1.00 0.00 O ATOM 288 CB PRO A 19 18.251 -3.567 3.431 1.00 0.00 C ATOM 289 CG PRO A 19 19.304 -3.226 4.482 1.00 0.00 C ATOM 290 CD PRO A 19 19.006 -4.217 5.604 1.00 0.00 C ATOM 0 HA PRO A 19 16.329 -3.188 4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.589 -4.363 2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.017 -2.707 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.315 -3.348 4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.215 -2.194 4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.539 -5.155 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.323 -3.824 6.570 1.00 0.00 H new ATOM 298 N LYS A 20 15.031 -4.791 3.096 1.00 0.00 N ATOM 299 CA LYS A 20 14.166 -5.704 2.334 1.00 0.00 C ATOM 300 C LYS A 20 14.568 -5.714 0.858 1.00 0.00 C ATOM 301 O LYS A 20 14.343 -4.738 0.141 1.00 0.00 O ATOM 302 CB LYS A 20 12.693 -5.316 2.566 1.00 0.00 C ATOM 303 CG LYS A 20 11.713 -6.122 1.700 1.00 0.00 C ATOM 304 CD LYS A 20 10.281 -6.028 2.243 1.00 0.00 C ATOM 305 CE LYS A 20 9.297 -6.666 1.253 1.00 0.00 C ATOM 306 NZ LYS A 20 7.967 -6.893 1.876 1.00 0.00 N ATOM 0 H LYS A 20 14.616 -3.870 3.237 1.00 0.00 H new ATOM 0 HA LYS A 20 14.290 -6.729 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.446 -5.464 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.566 -4.254 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.741 -5.751 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.025 -7.166 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.216 -6.532 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.015 -4.984 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.186 -6.021 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.700 -7.614 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.234 -6.896 1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.966 -7.809 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.769 -6.133 2.558 1.00 0.00 H new ATOM 320 N LEU A 21 15.165 -6.816 0.403 1.00 0.00 N ATOM 321 CA LEU A 21 15.444 -7.070 -1.014 1.00 0.00 C ATOM 322 C LEU A 21 14.155 -7.485 -1.742 1.00 0.00 C ATOM 323 O LEU A 21 13.464 -8.408 -1.302 1.00 0.00 O ATOM 324 CB LEU A 21 16.531 -8.156 -1.148 1.00 0.00 C ATOM 325 CG LEU A 21 17.926 -7.709 -0.675 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.843 -8.922 -0.518 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.580 -6.752 -1.676 1.00 0.00 C ATOM 0 H LEU A 21 15.474 -7.570 1.017 1.00 0.00 H new ATOM 0 HA LEU A 21 15.814 -6.155 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.228 -9.032 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.594 -8.465 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 21 17.792 -7.199 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.827 -8.593 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.419 -9.606 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.938 -9.433 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.563 -6.458 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.687 -7.250 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.956 -5.866 -1.793 1.00 0.00 H new ATOM 339 N MET A 22 13.835 -6.818 -2.853 1.00 0.00 N ATOM 340 CA MET A 22 12.655 -7.106 -3.686 1.00 0.00 C ATOM 341 C MET A 22 12.859 -6.640 -5.141 1.00 0.00 C ATOM 342 O MET A 22 13.882 -6.040 -5.468 1.00 0.00 O ATOM 343 CB MET A 22 11.398 -6.505 -3.024 1.00 0.00 C ATOM 344 CG MET A 22 11.239 -4.988 -3.180 1.00 0.00 C ATOM 345 SD MET A 22 10.240 -4.445 -4.590 1.00 0.00 S ATOM 346 CE MET A 22 8.589 -4.939 -4.024 1.00 0.00 C ATOM 0 H MET A 22 14.398 -6.046 -3.210 1.00 0.00 H new ATOM 0 HA MET A 22 12.511 -8.185 -3.748 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.518 -6.991 -3.445 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.417 -6.745 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 22 10.793 -4.592 -2.268 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.231 -4.544 -3.268 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.025 -5.351 -4.861 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.683 -5.694 -3.243 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.065 -4.070 -3.627 1.00 0.00 H new ATOM 356 N GLU A 23 11.904 -6.923 -6.032 1.00 0.00 N ATOM 357 CA GLU A 23 11.956 -6.547 -7.453 1.00 0.00 C ATOM 358 C GLU A 23 10.743 -5.696 -7.857 1.00 0.00 C ATOM 359 O GLU A 23 9.595 -6.147 -7.797 1.00 0.00 O ATOM 360 CB GLU A 23 12.075 -7.803 -8.328 1.00 0.00 C ATOM 361 CG GLU A 23 13.488 -8.407 -8.283 1.00 0.00 C ATOM 362 CD GLU A 23 13.575 -9.793 -8.955 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.395 -10.629 -8.501 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.851 -10.060 -9.944 1.00 0.00 O ATOM 0 H GLU A 23 11.055 -7.430 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 23 12.842 -5.931 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.352 -8.547 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.821 -7.552 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.183 -7.727 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.807 -8.493 -7.244 1.00 0.00 H new ATOM 371 N ILE A 24 11.013 -4.464 -8.291 1.00 0.00 N ATOM 372 CA ILE A 24 10.024 -3.514 -8.807 1.00 0.00 C ATOM 373 C ILE A 24 9.778 -3.812 -10.290 1.00 0.00 C ATOM 374 O ILE A 24 10.644 -3.594 -11.140 1.00 0.00 O ATOM 375 CB ILE A 24 10.498 -2.061 -8.541 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.412 -1.788 -7.019 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.704 -1.005 -9.341 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.854 -0.389 -6.581 1.00 0.00 C ATOM 0 H ILE A 24 11.960 -4.086 -8.293 1.00 0.00 H new ATOM 0 HA ILE A 24 9.070 -3.623 -8.291 1.00 0.00 H new ATOM 0 HB ILE A 24 11.528 -1.971 -8.886 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.383 -1.944 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.025 -2.524 -6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.085 -0.011 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.816 -1.197 -10.408 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.649 -1.061 -9.071 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.756 -0.299 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.894 -0.230 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.227 0.359 -7.066 1.00 0.00 H new ATOM 390 N ASP A 25 8.584 -4.318 -10.606 1.00 0.00 N ATOM 391 CA ASP A 25 8.105 -4.441 -11.982 1.00 0.00 C ATOM 392 C ASP A 25 7.535 -3.095 -12.444 1.00 0.00 C ATOM 393 O ASP A 25 6.533 -2.619 -11.906 1.00 0.00 O ATOM 394 CB ASP A 25 7.060 -5.564 -12.087 1.00 0.00 C ATOM 395 CG ASP A 25 6.530 -5.780 -13.516 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.710 -6.705 -13.713 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.934 -5.041 -14.446 1.00 0.00 O ATOM 0 H ASP A 25 7.919 -4.655 -9.910 1.00 0.00 H new ATOM 0 HA ASP A 25 8.935 -4.707 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.501 -6.494 -11.727 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.223 -5.333 -11.429 1.00 0.00 H new ATOM 402 N GLN A 26 8.151 -2.486 -13.458 1.00 0.00 N ATOM 403 CA GLN A 26 7.746 -1.177 -13.977 1.00 0.00 C ATOM 404 C GLN A 26 6.348 -1.167 -14.636 1.00 0.00 C ATOM 405 O GLN A 26 5.792 -0.086 -14.844 1.00 0.00 O ATOM 406 CB GLN A 26 8.840 -0.614 -14.901 1.00 0.00 C ATOM 407 CG GLN A 26 10.225 -0.439 -14.238 1.00 0.00 C ATOM 408 CD GLN A 26 10.339 0.704 -13.223 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.410 1.071 -12.515 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.500 1.311 -13.105 1.00 0.00 N ATOM 0 H GLN A 26 8.951 -2.889 -13.946 1.00 0.00 H new ATOM 0 HA GLN A 26 7.640 -0.513 -13.119 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.946 -1.276 -15.760 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.511 0.353 -15.282 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.488 -1.371 -13.738 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.965 -0.278 -15.022 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.288 1.022 -13.685 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.612 2.071 -12.434 1.00 0.00 H new ATOM 419 N LYS A 27 5.743 -2.337 -14.919 1.00 0.00 N ATOM 420 CA LYS A 27 4.342 -2.449 -15.378 1.00 0.00 C ATOM 421 C LYS A 27 3.320 -2.474 -14.228 1.00 0.00 C ATOM 422 O LYS A 27 2.173 -2.072 -14.438 1.00 0.00 O ATOM 423 CB LYS A 27 4.140 -3.673 -16.291 1.00 0.00 C ATOM 424 CG LYS A 27 4.731 -3.484 -17.703 1.00 0.00 C ATOM 425 CD LYS A 27 6.221 -3.828 -17.816 1.00 0.00 C ATOM 426 CE LYS A 27 6.426 -5.344 -17.726 1.00 0.00 C ATOM 427 NZ LYS A 27 7.681 -5.676 -17.018 1.00 0.00 N ATOM 0 H LYS A 27 6.215 -3.238 -14.835 1.00 0.00 H new ATOM 0 HA LYS A 27 4.154 -1.542 -15.952 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.600 -4.545 -15.826 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.074 -3.882 -16.376 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.173 -4.105 -18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.585 -2.448 -18.009 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.616 -3.456 -18.761 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.777 -3.331 -17.021 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.582 -5.797 -17.206 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.448 -5.770 -18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.852 -6.700 -17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.473 -5.167 -17.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.601 -5.395 -16.020 1.00 0.00 H new ATOM 441 N LYS A 28 3.701 -2.929 -13.025 1.00 0.00 N ATOM 442 CA LYS A 28 2.823 -2.959 -11.836 1.00 0.00 C ATOM 443 C LYS A 28 2.688 -1.566 -11.204 1.00 0.00 C ATOM 444 O LYS A 28 3.684 -0.840 -11.153 1.00 0.00 O ATOM 445 CB LYS A 28 3.335 -3.973 -10.798 1.00 0.00 C ATOM 446 CG LYS A 28 2.974 -5.412 -11.194 1.00 0.00 C ATOM 447 CD LYS A 28 3.474 -6.452 -10.179 1.00 0.00 C ATOM 448 CE LYS A 28 2.734 -6.355 -8.835 1.00 0.00 C ATOM 449 NZ LYS A 28 3.162 -7.423 -7.900 1.00 0.00 N ATOM 0 H LYS A 28 4.637 -3.291 -12.844 1.00 0.00 H new ATOM 0 HA LYS A 28 1.834 -3.275 -12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.417 -3.881 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.907 -3.744 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.892 -5.497 -11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.400 -5.632 -12.173 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.344 -7.452 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.542 -6.312 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.921 -5.380 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.660 -6.427 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.562 -7.402 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.071 -8.349 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.154 -7.269 -7.627 1.00 0.00 H new ATOM 463 N PRO A 29 1.506 -1.179 -10.692 1.00 0.00 N ATOM 464 CA PRO A 29 1.302 0.115 -10.042 1.00 0.00 C ATOM 465 C PRO A 29 2.081 0.206 -8.729 1.00 0.00 C ATOM 466 O PRO A 29 2.160 -0.763 -7.969 1.00 0.00 O ATOM 467 CB PRO A 29 -0.206 0.220 -9.798 1.00 0.00 C ATOM 468 CG PRO A 29 -0.660 -1.234 -9.695 1.00 0.00 C ATOM 469 CD PRO A 29 0.295 -1.986 -10.615 1.00 0.00 C ATOM 0 HA PRO A 29 1.666 0.934 -10.663 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.426 0.773 -8.885 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.708 0.739 -10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.597 -1.600 -8.670 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.696 -1.352 -10.013 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.513 -2.979 -10.222 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.144 -2.124 -11.603 1.00 0.00 H new ATOM 477 N LEU A 30 2.617 1.389 -8.429 1.00 0.00 N ATOM 478 CA LEU A 30 3.362 1.622 -7.191 1.00 0.00 C ATOM 479 C LEU A 30 2.507 1.386 -5.940 1.00 0.00 C ATOM 480 O LEU A 30 3.039 0.911 -4.947 1.00 0.00 O ATOM 481 CB LEU A 30 3.937 3.046 -7.191 1.00 0.00 C ATOM 482 CG LEU A 30 5.129 3.207 -8.148 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.346 4.689 -8.417 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.419 2.619 -7.571 1.00 0.00 C ATOM 0 H LEU A 30 2.548 2.208 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 30 4.177 0.899 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.153 3.749 -7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.251 3.306 -6.180 1.00 0.00 H new ATOM 0 HG LEU A 30 4.895 2.666 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.190 4.816 -9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.449 5.112 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.555 5.202 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.232 2.757 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.664 3.126 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.280 1.555 -7.380 1.00 0.00 H new ATOM 496 N SER A 31 1.195 1.631 -5.982 1.00 0.00 N ATOM 497 CA SER A 31 0.280 1.335 -4.870 1.00 0.00 C ATOM 498 C SER A 31 0.279 -0.156 -4.491 1.00 0.00 C ATOM 499 O SER A 31 0.413 -0.487 -3.310 1.00 0.00 O ATOM 500 CB SER A 31 -1.136 1.803 -5.228 1.00 0.00 C ATOM 501 OG SER A 31 -1.584 1.195 -6.431 1.00 0.00 O ATOM 0 H SER A 31 0.732 2.043 -6.792 1.00 0.00 H new ATOM 0 HA SER A 31 0.635 1.880 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.820 1.558 -4.416 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.148 2.887 -5.338 1.00 0.00 H new ATOM 0 HG SER A 31 -2.490 1.507 -6.638 1.00 0.00 H new ATOM 507 N ALA A 32 0.215 -1.063 -5.475 1.00 0.00 N ATOM 508 CA ALA A 32 0.317 -2.507 -5.243 1.00 0.00 C ATOM 509 C ALA A 32 1.714 -2.916 -4.740 1.00 0.00 C ATOM 510 O ALA A 32 1.836 -3.723 -3.816 1.00 0.00 O ATOM 511 CB ALA A 32 -0.043 -3.246 -6.539 1.00 0.00 C ATOM 0 H ALA A 32 0.091 -0.814 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.385 -2.784 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.030 -4.321 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.062 -2.991 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.647 -2.951 -7.330 1.00 0.00 H new ATOM 517 N ILE A 33 2.771 -2.322 -5.305 1.00 0.00 N ATOM 518 CA ILE A 33 4.163 -2.575 -4.898 1.00 0.00 C ATOM 519 C ILE A 33 4.399 -2.125 -3.448 1.00 0.00 C ATOM 520 O ILE A 33 4.917 -2.894 -2.647 1.00 0.00 O ATOM 521 CB ILE A 33 5.134 -1.900 -5.892 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.002 -2.568 -7.282 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.592 -1.958 -5.401 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.781 -1.864 -8.395 1.00 0.00 C ATOM 0 H ILE A 33 2.687 -1.646 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 33 4.357 -3.647 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 33 4.863 -0.847 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.346 -3.600 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.948 -2.602 -7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.241 -1.472 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.674 -1.445 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.895 -2.998 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.634 -2.396 -9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.423 -0.840 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.842 -1.854 -8.146 1.00 0.00 H new ATOM 536 N ILE A 34 3.970 -0.920 -3.072 1.00 0.00 N ATOM 537 CA ILE A 34 4.100 -0.374 -1.712 1.00 0.00 C ATOM 538 C ILE A 34 3.336 -1.244 -0.700 1.00 0.00 C ATOM 539 O ILE A 34 3.856 -1.500 0.387 1.00 0.00 O ATOM 540 CB ILE A 34 3.646 1.105 -1.698 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.665 1.986 -2.464 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.480 1.654 -0.270 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.076 3.317 -2.947 1.00 0.00 C ATOM 0 H ILE A 34 3.511 -0.277 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 34 5.146 -0.397 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 34 2.673 1.140 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.518 2.188 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.041 1.430 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.160 2.695 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.730 1.067 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.432 1.589 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.843 3.884 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.241 3.122 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.725 3.892 -2.090 1.00 0.00 H new ATOM 555 N LYS A 35 2.161 -1.778 -1.071 1.00 0.00 N ATOM 556 CA LYS A 35 1.428 -2.758 -0.251 1.00 0.00 C ATOM 557 C LYS A 35 2.206 -4.065 -0.053 1.00 0.00 C ATOM 558 O LYS A 35 2.221 -4.620 1.046 1.00 0.00 O ATOM 559 CB LYS A 35 0.030 -2.996 -0.846 1.00 0.00 C ATOM 560 CG LYS A 35 -0.885 -3.691 0.171 1.00 0.00 C ATOM 561 CD LYS A 35 -2.303 -3.869 -0.393 1.00 0.00 C ATOM 562 CE LYS A 35 -3.308 -4.384 0.649 1.00 0.00 C ATOM 563 NZ LYS A 35 -3.443 -3.466 1.815 1.00 0.00 N ATOM 0 H LYS A 35 1.693 -1.543 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 35 1.311 -2.339 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.409 -2.045 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.112 -3.607 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.470 -4.664 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.926 -3.104 1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.653 -2.914 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.269 -4.565 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.282 -4.512 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.992 -5.367 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.431 -3.462 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.825 -3.791 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.168 -2.504 1.533 1.00 0.00 H new ATOM 577 N GLU A 36 2.908 -4.539 -1.081 1.00 0.00 N ATOM 578 CA GLU A 36 3.796 -5.701 -1.007 1.00 0.00 C ATOM 579 C GLU A 36 5.084 -5.428 -0.200 1.00 0.00 C ATOM 580 O GLU A 36 5.662 -6.362 0.361 1.00 0.00 O ATOM 581 CB GLU A 36 4.110 -6.153 -2.440 1.00 0.00 C ATOM 582 CG GLU A 36 2.931 -6.898 -3.088 1.00 0.00 C ATOM 583 CD GLU A 36 3.112 -7.104 -4.605 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.095 -7.256 -5.325 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.257 -7.153 -5.111 1.00 0.00 O ATOM 0 H GLU A 36 2.875 -4.118 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 36 3.287 -6.497 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.364 -5.283 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.986 -6.802 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.812 -7.869 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.012 -6.339 -2.909 1.00 0.00 H new ATOM 592 N VAL A 37 5.523 -4.167 -0.076 1.00 0.00 N ATOM 593 CA VAL A 37 6.606 -3.761 0.839 1.00 0.00 C ATOM 594 C VAL A 37 6.131 -3.780 2.294 1.00 0.00 C ATOM 595 O VAL A 37 6.664 -4.556 3.093 1.00 0.00 O ATOM 596 CB VAL A 37 7.209 -2.382 0.494 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.320 -1.988 1.477 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.826 -2.382 -0.903 1.00 0.00 C ATOM 0 H VAL A 37 5.134 -3.391 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 37 7.400 -4.496 0.709 1.00 0.00 H new ATOM 0 HB VAL A 37 6.385 -1.671 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.720 -1.012 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.913 -1.942 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.118 -2.730 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.242 -1.398 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.618 -3.129 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.059 -2.619 -1.640 1.00 0.00 H new ATOM 608 N CYS A 38 5.137 -2.949 2.625 1.00 0.00 N ATOM 609 CA CYS A 38 4.704 -2.659 4.001 1.00 0.00 C ATOM 610 C CYS A 38 4.229 -3.904 4.775 1.00 0.00 C ATOM 611 O CYS A 38 4.458 -3.997 5.981 1.00 0.00 O ATOM 612 CB CYS A 38 3.643 -1.547 3.953 1.00 0.00 C ATOM 613 SG CYS A 38 2.052 -2.122 3.304 1.00 0.00 S ATOM 0 H CYS A 38 4.594 -2.444 1.925 1.00 0.00 H new ATOM 0 HA CYS A 38 5.567 -2.313 4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.498 -1.146 4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.009 -0.729 3.333 1.00 0.00 H new ATOM 0 HG CYS A 38 2.247 -3.134 2.512 1.00 0.00 H new ATOM 619 N ASP A 39 3.656 -4.898 4.087 1.00 0.00 N ATOM 620 CA ASP A 39 3.230 -6.179 4.670 1.00 0.00 C ATOM 621 C ASP A 39 4.387 -6.972 5.317 1.00 0.00 C ATOM 622 O ASP A 39 4.177 -7.701 6.287 1.00 0.00 O ATOM 623 CB ASP A 39 2.571 -7.011 3.559 1.00 0.00 C ATOM 624 CG ASP A 39 1.920 -8.305 4.079 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.159 -8.255 5.075 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.134 -9.376 3.461 1.00 0.00 O ATOM 0 H ASP A 39 3.471 -4.834 3.086 1.00 0.00 H new ATOM 0 HA ASP A 39 2.528 -5.968 5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.814 -6.406 3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.321 -7.264 2.810 1.00 0.00 H new ATOM 631 N GLY A 40 5.625 -6.797 4.831 1.00 0.00 N ATOM 632 CA GLY A 40 6.824 -7.444 5.389 1.00 0.00 C ATOM 633 C GLY A 40 7.231 -6.918 6.771 1.00 0.00 C ATOM 634 O GLY A 40 7.825 -7.652 7.563 1.00 0.00 O ATOM 0 H GLY A 40 5.825 -6.196 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.646 -8.517 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.655 -7.302 4.698 1.00 0.00 H new ATOM 638 N TRP A 41 6.867 -5.669 7.078 1.00 0.00 N ATOM 639 CA TRP A 41 7.041 -5.023 8.386 1.00 0.00 C ATOM 640 C TRP A 41 5.711 -4.849 9.150 1.00 0.00 C ATOM 641 O TRP A 41 5.661 -4.145 10.161 1.00 0.00 O ATOM 642 CB TRP A 41 7.808 -3.707 8.179 1.00 0.00 C ATOM 643 CG TRP A 41 9.195 -3.859 7.622 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.162 -4.657 8.132 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.798 -3.207 6.458 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.306 -4.557 7.366 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.145 -3.666 6.329 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.348 -2.274 5.498 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.003 -3.217 5.316 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.202 -1.817 4.475 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.523 -2.286 4.382 1.00 0.00 C ATOM 0 H TRP A 41 6.425 -5.054 6.395 1.00 0.00 H new ATOM 0 HA TRP A 41 7.630 -5.671 9.035 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.231 -3.070 7.508 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.872 -3.187 9.135 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.055 -5.279 9.008 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.164 -5.078 7.546 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.334 -1.905 5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.018 -3.582 5.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.838 -1.099 3.755 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.169 -1.930 3.593 1.00 0.00 H new ATOM 662 N SER A 42 4.630 -5.484 8.673 1.00 0.00 N ATOM 663 CA SER A 42 3.260 -5.396 9.213 1.00 0.00 C ATOM 664 C SER A 42 2.713 -3.957 9.309 1.00 0.00 C ATOM 665 O SER A 42 1.902 -3.647 10.186 1.00 0.00 O ATOM 666 CB SER A 42 3.134 -6.159 10.544 1.00 0.00 C ATOM 667 OG SER A 42 3.563 -7.508 10.407 1.00 0.00 O ATOM 0 H SER A 42 4.687 -6.102 7.863 1.00 0.00 H new ATOM 0 HA SER A 42 2.618 -5.888 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.730 -5.661 11.309 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.098 -6.137 10.882 1.00 0.00 H new ATOM 0 HG SER A 42 3.474 -7.969 11.267 1.00 0.00 H new ATOM 673 N LEU A 43 3.165 -3.057 8.427 1.00 0.00 N ATOM 674 CA LEU A 43 2.789 -1.643 8.416 1.00 0.00 C ATOM 675 C LEU A 43 1.419 -1.459 7.738 1.00 0.00 C ATOM 676 O LEU A 43 1.228 -1.838 6.580 1.00 0.00 O ATOM 677 CB LEU A 43 3.914 -0.855 7.722 1.00 0.00 C ATOM 678 CG LEU A 43 5.200 -0.713 8.555 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.323 -0.205 7.655 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.044 0.256 9.727 1.00 0.00 C ATOM 0 H LEU A 43 3.819 -3.301 7.683 1.00 0.00 H new ATOM 0 HA LEU A 43 2.676 -1.259 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.158 -1.347 6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.544 0.140 7.475 1.00 0.00 H new ATOM 0 HG LEU A 43 5.427 -1.697 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.238 -0.102 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.488 -0.914 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.046 0.764 7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.983 0.315 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.782 1.244 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.256 -0.100 10.391 1.00 0.00 H new ATOM 692 N ALA A 44 0.461 -0.897 8.478 1.00 0.00 N ATOM 693 CA ALA A 44 -0.915 -0.668 8.030 1.00 0.00 C ATOM 694 C ALA A 44 -1.056 0.555 7.097 1.00 0.00 C ATOM 695 O ALA A 44 -0.173 1.414 7.033 1.00 0.00 O ATOM 696 CB ALA A 44 -1.800 -0.528 9.278 1.00 0.00 C ATOM 0 H ALA A 44 0.626 -0.579 9.433 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.233 -1.519 7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.833 -0.356 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.743 -1.442 9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.453 0.314 9.877 1.00 0.00 H new ATOM 702 N ASN A 45 -2.209 0.651 6.422 1.00 0.00 N ATOM 703 CA ASN A 45 -2.632 1.787 5.589 1.00 0.00 C ATOM 704 C ASN A 45 -1.604 2.167 4.502 1.00 0.00 C ATOM 705 O ASN A 45 -1.053 3.269 4.500 1.00 0.00 O ATOM 706 CB ASN A 45 -3.050 2.973 6.485 1.00 0.00 C ATOM 707 CG ASN A 45 -4.109 2.614 7.514 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.143 2.036 7.205 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.887 2.925 8.772 1.00 0.00 N ATOM 0 H ASN A 45 -2.905 -0.095 6.442 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.509 1.476 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.169 3.356 7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.426 3.779 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.575 2.685 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.027 3.407 9.034 1.00 0.00 H new ATOM 716 N HIS A 46 -1.349 1.256 3.553 1.00 0.00 N ATOM 717 CA HIS A 46 -0.343 1.432 2.494 1.00 0.00 C ATOM 718 C HIS A 46 -0.607 2.659 1.598 1.00 0.00 C ATOM 719 O HIS A 46 0.324 3.196 1.002 1.00 0.00 O ATOM 720 CB HIS A 46 -0.275 0.150 1.652 1.00 0.00 C ATOM 721 CG HIS A 46 -1.438 -0.014 0.710 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.671 -0.603 1.008 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.484 0.510 -0.546 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.426 -0.420 -0.091 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.740 0.240 -1.037 1.00 0.00 N ATOM 0 H HIS A 46 -1.841 0.364 3.498 1.00 0.00 H new ATOM 0 HA HIS A 46 0.615 1.620 2.978 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.651 0.152 1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.234 -0.711 2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.690 1.035 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.446 -0.759 -0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.090 0.497 -1.960 1.00 0.00 H new ATOM 733 N GLU A 47 -1.852 3.145 1.547 1.00 0.00 N ATOM 734 CA GLU A 47 -2.248 4.397 0.881 1.00 0.00 C ATOM 735 C GLU A 47 -1.468 5.625 1.388 1.00 0.00 C ATOM 736 O GLU A 47 -1.265 6.585 0.642 1.00 0.00 O ATOM 737 CB GLU A 47 -3.745 4.660 1.133 1.00 0.00 C ATOM 738 CG GLU A 47 -4.708 3.592 0.593 1.00 0.00 C ATOM 739 CD GLU A 47 -4.680 3.425 -0.944 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.116 2.358 -1.439 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.261 4.357 -1.673 1.00 0.00 O ATOM 0 H GLU A 47 -2.640 2.664 1.981 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.028 4.265 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.903 4.755 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.007 5.619 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.466 2.635 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.722 3.846 0.900 1.00 0.00 H new ATOM 748 N TYR A 48 -1.023 5.605 2.651 1.00 0.00 N ATOM 749 CA TYR A 48 -0.250 6.691 3.260 1.00 0.00 C ATOM 750 C TYR A 48 1.222 6.684 2.825 1.00 0.00 C ATOM 751 O TYR A 48 1.919 7.673 3.044 1.00 0.00 O ATOM 752 CB TYR A 48 -0.280 6.574 4.793 1.00 0.00 C ATOM 753 CG TYR A 48 -1.612 6.566 5.529 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.858 6.718 4.882 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.571 6.400 6.925 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.054 6.655 5.624 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.758 6.371 7.675 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.007 6.486 7.027 1.00 0.00 C ATOM 759 OH TYR A 48 -5.156 6.433 7.756 1.00 0.00 O ATOM 0 H TYR A 48 -1.193 4.824 3.285 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.715 7.618 2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.243 5.655 5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.307 7.401 5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.894 6.883 3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.619 6.294 7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.006 6.736 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.715 6.261 8.748 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.937 6.312 8.704 1.00 0.00 H new ATOM 769 N PHE A 49 1.720 5.578 2.268 1.00 0.00 N ATOM 770 CA PHE A 49 3.140 5.343 2.009 1.00 0.00 C ATOM 771 C PHE A 49 3.584 5.661 0.574 1.00 0.00 C ATOM 772 O PHE A 49 2.793 5.702 -0.370 1.00 0.00 O ATOM 773 CB PHE A 49 3.507 3.908 2.422 1.00 0.00 C ATOM 774 CG PHE A 49 3.674 3.744 3.920 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.553 3.550 4.749 1.00 0.00 C ATOM 776 CD2 PHE A 49 4.959 3.816 4.493 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.715 3.435 6.141 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.120 3.698 5.884 1.00 0.00 C ATOM 779 CZ PHE A 49 3.998 3.506 6.710 1.00 0.00 C ATOM 0 H PHE A 49 1.129 4.800 1.977 1.00 0.00 H new ATOM 0 HA PHE A 49 3.696 6.052 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.732 3.226 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.433 3.619 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.566 3.489 4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.823 3.962 3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.852 3.292 6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.107 3.755 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.122 3.413 7.779 1.00 0.00 H new ATOM 789 N ALA A 50 4.893 5.863 0.442 1.00 0.00 N ATOM 790 CA ALA A 50 5.659 6.020 -0.785 1.00 0.00 C ATOM 791 C ALA A 50 7.061 5.412 -0.605 1.00 0.00 C ATOM 792 O ALA A 50 7.568 5.276 0.512 1.00 0.00 O ATOM 793 CB ALA A 50 5.742 7.512 -1.142 1.00 0.00 C ATOM 0 H ALA A 50 5.494 5.926 1.264 1.00 0.00 H new ATOM 0 HA ALA A 50 5.166 5.494 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.315 7.635 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.737 7.908 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.233 8.053 -0.333 1.00 0.00 H new ATOM 799 N LEU A 51 7.690 5.037 -1.716 1.00 0.00 N ATOM 800 CA LEU A 51 9.111 4.704 -1.755 1.00 0.00 C ATOM 801 C LEU A 51 9.911 5.983 -2.045 1.00 0.00 C ATOM 802 O LEU A 51 9.391 6.938 -2.627 1.00 0.00 O ATOM 803 CB LEU A 51 9.341 3.599 -2.798 1.00 0.00 C ATOM 804 CG LEU A 51 8.976 2.196 -2.277 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.895 1.213 -3.443 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.011 1.669 -1.279 1.00 0.00 C ATOM 0 H LEU A 51 7.225 4.955 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 51 9.456 4.315 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.748 3.816 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.387 3.607 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 51 8.013 2.282 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.637 0.223 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.131 1.545 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.859 1.168 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.715 0.677 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.986 1.610 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.070 2.344 -0.426 1.00 0.00 H new ATOM 818 N GLN A 52 11.180 6.011 -1.650 1.00 0.00 N ATOM 819 CA GLN A 52 12.060 7.172 -1.804 1.00 0.00 C ATOM 820 C GLN A 52 13.514 6.735 -2.015 1.00 0.00 C ATOM 821 O GLN A 52 13.939 5.721 -1.468 1.00 0.00 O ATOM 822 CB GLN A 52 11.893 8.061 -0.561 1.00 0.00 C ATOM 823 CG GLN A 52 12.595 9.419 -0.676 1.00 0.00 C ATOM 824 CD GLN A 52 12.485 10.263 0.589 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.419 9.782 1.713 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.528 11.566 0.449 1.00 0.00 N ATOM 0 H GLN A 52 11.637 5.215 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 52 11.786 7.743 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.830 8.225 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.284 7.532 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.648 9.258 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.167 9.972 -1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.583 11.977 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.506 12.168 1.272 1.00 0.00 H new ATOM 835 N HIS A 53 14.290 7.494 -2.788 1.00 0.00 N ATOM 836 CA HIS A 53 15.727 7.245 -2.984 1.00 0.00 C ATOM 837 C HIS A 53 16.529 7.447 -1.689 1.00 0.00 C ATOM 838 O HIS A 53 16.430 8.494 -1.046 1.00 0.00 O ATOM 839 CB HIS A 53 16.274 8.143 -4.105 1.00 0.00 C ATOM 840 CG HIS A 53 16.017 7.602 -5.490 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.818 6.661 -6.144 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.967 7.923 -6.298 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.239 6.449 -7.339 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.130 7.199 -7.460 1.00 0.00 N ATOM 0 H HIS A 53 13.942 8.304 -3.301 1.00 0.00 H new ATOM 0 HA HIS A 53 15.843 6.201 -3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.823 9.132 -4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.348 8.270 -3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.165 8.610 -6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.612 5.773 -8.094 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.514 7.228 -8.273 1.00 0.00 H new ATOM 930 N TYR A 60 11.274 11.271 -4.093 1.00 0.00 N ATOM 931 CA TYR A 60 10.196 10.285 -3.940 1.00 0.00 C ATOM 932 C TYR A 60 9.974 9.506 -5.248 1.00 0.00 C ATOM 933 O TYR A 60 10.108 10.051 -6.347 1.00 0.00 O ATOM 934 CB TYR A 60 8.898 10.964 -3.484 1.00 0.00 C ATOM 935 CG TYR A 60 8.953 11.510 -2.068 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.687 10.654 -0.980 1.00 0.00 C ATOM 937 CD2 TYR A 60 9.261 12.866 -1.839 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.724 11.153 0.337 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.307 13.365 -0.523 1.00 0.00 C ATOM 940 CZ TYR A 60 9.042 12.510 0.569 1.00 0.00 C ATOM 941 OH TYR A 60 9.072 13.006 1.837 1.00 0.00 O ATOM 0 HA TYR A 60 10.496 9.574 -3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.667 11.780 -4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.080 10.247 -3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.455 9.614 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.462 13.522 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.509 10.499 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.545 14.404 -0.349 1.00 0.00 H new ATOM 0 HH TYR A 60 9.310 13.956 1.811 1.00 0.00 H new ATOM 951 N ILE A 61 9.612 8.227 -5.140 1.00 0.00 N ATOM 952 CA ILE A 61 9.222 7.388 -6.275 1.00 0.00 C ATOM 953 C ILE A 61 7.750 7.647 -6.623 1.00 0.00 C ATOM 954 O ILE A 61 6.877 7.613 -5.754 1.00 0.00 O ATOM 955 CB ILE A 61 9.498 5.900 -5.969 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.967 5.617 -5.573 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.091 5.009 -7.154 1.00 0.00 C ATOM 958 CD1 ILE A 61 12.034 6.161 -6.533 1.00 0.00 C ATOM 0 H ILE A 61 9.581 7.736 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 61 9.822 7.647 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 61 8.883 5.655 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.145 6.040 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.099 4.538 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.296 3.966 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.027 5.133 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.662 5.295 -8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.025 5.905 -6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.894 5.720 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.941 7.245 -6.604 1.00 0.00 H new ATOM 970 N THR A 62 7.479 7.893 -7.905 1.00 0.00 N ATOM 971 CA THR A 62 6.148 8.197 -8.462 1.00 0.00 C ATOM 972 C THR A 62 6.010 7.565 -9.845 1.00 0.00 C ATOM 973 O THR A 62 7.008 7.186 -10.461 1.00 0.00 O ATOM 974 CB THR A 62 5.900 9.717 -8.579 1.00 0.00 C ATOM 975 OG1 THR A 62 6.676 10.254 -9.629 1.00 0.00 O ATOM 976 CG2 THR A 62 6.218 10.513 -7.314 1.00 0.00 C ATOM 0 H THR A 62 8.207 7.887 -8.619 1.00 0.00 H new ATOM 0 HA THR A 62 5.408 7.784 -7.777 1.00 0.00 H new ATOM 0 HB THR A 62 4.830 9.813 -8.765 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.512 11.218 -9.698 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.014 11.570 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.597 10.154 -6.493 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.269 10.384 -7.057 1.00 0.00 H new ATOM 984 N GLU A 63 4.798 7.497 -10.398 1.00 0.00 N ATOM 985 CA GLU A 63 4.581 7.007 -11.771 1.00 0.00 C ATOM 986 C GLU A 63 5.270 7.879 -12.850 1.00 0.00 C ATOM 987 O GLU A 63 5.420 7.441 -13.994 1.00 0.00 O ATOM 988 CB GLU A 63 3.070 6.864 -12.043 1.00 0.00 C ATOM 989 CG GLU A 63 2.330 5.885 -11.106 1.00 0.00 C ATOM 990 CD GLU A 63 2.789 4.414 -11.199 1.00 0.00 C ATOM 991 OE1 GLU A 63 3.543 4.046 -12.131 1.00 0.00 O ATOM 992 OE2 GLU A 63 2.386 3.602 -10.332 1.00 0.00 O ATOM 0 H GLU A 63 3.943 7.776 -9.917 1.00 0.00 H new ATOM 0 HA GLU A 63 5.054 6.028 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.606 7.847 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.931 6.534 -13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.457 6.224 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.264 5.931 -11.327 1.00 0.00 H new ATOM 999 N LYS A 64 5.736 9.086 -12.485 1.00 0.00 N ATOM 1000 CA LYS A 64 6.538 9.999 -13.323 1.00 0.00 C ATOM 1001 C LYS A 64 8.058 9.928 -13.069 1.00 0.00 C ATOM 1002 O LYS A 64 8.818 10.460 -13.880 1.00 0.00 O ATOM 1003 CB LYS A 64 6.029 11.441 -13.128 1.00 0.00 C ATOM 1004 CG LYS A 64 4.567 11.620 -13.571 1.00 0.00 C ATOM 1005 CD LYS A 64 4.122 13.080 -13.424 1.00 0.00 C ATOM 1006 CE LYS A 64 2.662 13.234 -13.866 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.195 14.640 -13.739 1.00 0.00 N ATOM 0 H LYS A 64 5.557 9.470 -11.557 1.00 0.00 H new ATOM 0 HA LYS A 64 6.404 9.674 -14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.122 11.716 -12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.662 12.125 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.457 11.305 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.921 10.977 -12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.232 13.399 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.762 13.726 -14.026 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.559 12.908 -14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.028 12.584 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.204 14.706 -14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.270 14.943 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.784 15.257 -14.334 1.00 0.00 H new ATOM 1021 N ASN A 65 8.508 9.297 -11.975 1.00 0.00 N ATOM 1022 CA ASN A 65 9.912 9.298 -11.518 1.00 0.00 C ATOM 1023 C ASN A 65 10.524 7.895 -11.286 1.00 0.00 C ATOM 1024 O ASN A 65 11.741 7.758 -11.145 1.00 0.00 O ATOM 1025 CB ASN A 65 9.993 10.183 -10.256 1.00 0.00 C ATOM 1026 CG ASN A 65 11.419 10.570 -9.893 1.00 0.00 C ATOM 1027 OD1 ASN A 65 12.215 10.977 -10.726 1.00 0.00 O ATOM 1028 ND2 ASN A 65 11.790 10.484 -8.637 1.00 0.00 N ATOM 0 H ASN A 65 7.893 8.757 -11.366 1.00 0.00 H new ATOM 0 HA ASN A 65 10.526 9.705 -12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.406 11.088 -10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.541 9.653 -9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.735 10.756 -8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.134 10.146 -7.933 1.00 0.00 H new ATOM 1035 N ARG A 66 9.712 6.828 -11.274 1.00 0.00 N ATOM 1036 CA ARG A 66 10.148 5.424 -11.092 1.00 0.00 C ATOM 1037 C ARG A 66 11.116 4.905 -12.162 1.00 0.00 C ATOM 1038 O ARG A 66 11.829 3.933 -11.919 1.00 0.00 O ATOM 1039 CB ARG A 66 8.908 4.519 -10.989 1.00 0.00 C ATOM 1040 CG ARG A 66 8.068 4.478 -12.283 1.00 0.00 C ATOM 1041 CD ARG A 66 6.756 3.715 -12.093 1.00 0.00 C ATOM 1042 NE ARG A 66 6.989 2.310 -11.731 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.063 1.411 -11.480 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.795 1.650 -11.586 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.397 0.215 -11.106 1.00 0.00 N ATOM 0 H ARG A 66 8.703 6.914 -11.394 1.00 0.00 H new ATOM 0 HA ARG A 66 10.724 5.398 -10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.226 3.507 -10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.281 4.867 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.851 5.496 -12.606 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.649 4.008 -13.077 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.164 4.197 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.172 3.761 -13.012 1.00 0.00 H new ATOM 0 HE ARG A 66 7.960 2.004 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.473 2.573 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.118 0.915 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.382 -0.032 -11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.675 -0.479 -10.912 1.00 0.00 H new ATOM 1059 N ASN A 67 11.181 5.563 -13.320 1.00 0.00 N ATOM 1060 CA ASN A 67 12.135 5.273 -14.395 1.00 0.00 C ATOM 1061 C ASN A 67 13.609 5.479 -13.971 1.00 0.00 C ATOM 1062 O ASN A 67 14.509 4.913 -14.588 1.00 0.00 O ATOM 1063 CB ASN A 67 11.791 6.171 -15.601 1.00 0.00 C ATOM 1064 CG ASN A 67 12.150 7.627 -15.338 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.502 8.315 -14.563 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.228 8.106 -15.913 1.00 0.00 N ATOM 0 H ASN A 67 10.554 6.335 -13.544 1.00 0.00 H new ATOM 0 HA ASN A 67 12.044 4.218 -14.655 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.326 5.818 -16.482 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.726 6.093 -15.821 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.531 9.059 -15.714 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.763 7.525 -16.558 1.00 0.00 H new ATOM 1073 N GLU A 68 13.866 6.284 -12.931 1.00 0.00 N ATOM 1074 CA GLU A 68 15.212 6.530 -12.393 1.00 0.00 C ATOM 1075 C GLU A 68 15.766 5.349 -11.565 1.00 0.00 C ATOM 1076 O GLU A 68 16.962 5.312 -11.269 1.00 0.00 O ATOM 1077 CB GLU A 68 15.210 7.816 -11.547 1.00 0.00 C ATOM 1078 CG GLU A 68 14.749 9.084 -12.293 1.00 0.00 C ATOM 1079 CD GLU A 68 15.527 9.391 -13.590 1.00 0.00 C ATOM 1080 OE1 GLU A 68 14.916 9.928 -14.546 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.754 9.133 -13.659 1.00 0.00 O ATOM 0 H GLU A 68 13.134 6.790 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 68 15.876 6.645 -13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.562 7.664 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.217 7.983 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.691 8.981 -12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.840 9.937 -11.621 1.00 0.00 H new ATOM 1088 N ILE A 69 14.923 4.376 -11.191 1.00 0.00 N ATOM 1089 CA ILE A 69 15.330 3.153 -10.489 1.00 0.00 C ATOM 1090 C ILE A 69 16.062 2.207 -11.457 1.00 0.00 C ATOM 1091 O ILE A 69 15.587 1.946 -12.566 1.00 0.00 O ATOM 1092 CB ILE A 69 14.110 2.452 -9.844 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.322 3.400 -8.908 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.559 1.203 -9.064 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.007 2.797 -8.399 1.00 0.00 C ATOM 0 H ILE A 69 13.920 4.419 -11.372 1.00 0.00 H new ATOM 0 HA ILE A 69 16.015 3.425 -9.686 1.00 0.00 H new ATOM 0 HB ILE A 69 13.444 2.156 -10.654 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.949 3.660 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.107 4.327 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.690 0.721 -8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 69 15.050 0.506 -9.744 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.256 1.496 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.506 3.514 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.362 2.563 -9.246 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.217 1.885 -7.840 1.00 0.00 H new ATOM 1107 N LYS A 70 17.191 1.651 -11.006 1.00 0.00 N ATOM 1108 CA LYS A 70 17.996 0.625 -11.699 1.00 0.00 C ATOM 1109 C LYS A 70 18.248 -0.593 -10.799 1.00 0.00 C ATOM 1110 O LYS A 70 18.049 -0.522 -9.585 1.00 0.00 O ATOM 1111 CB LYS A 70 19.318 1.250 -12.188 1.00 0.00 C ATOM 1112 CG LYS A 70 19.100 2.382 -13.207 1.00 0.00 C ATOM 1113 CD LYS A 70 20.436 2.924 -13.728 1.00 0.00 C ATOM 1114 CE LYS A 70 20.188 4.064 -14.722 1.00 0.00 C ATOM 1115 NZ LYS A 70 21.463 4.620 -15.249 1.00 0.00 N ATOM 0 H LYS A 70 17.592 1.913 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 70 17.438 0.266 -12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.869 1.639 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.936 0.474 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.504 2.014 -14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.534 3.189 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.042 3.282 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.998 2.125 -14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.580 3.699 -15.550 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.620 4.856 -14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.256 5.389 -15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.032 4.990 -14.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.993 3.870 -15.737 1.00 0.00 H new ATOM 1129 N ASN A 71 18.715 -1.704 -11.370 1.00 0.00 N ATOM 1130 CA ASN A 71 19.108 -2.887 -10.593 1.00 0.00 C ATOM 1131 C ASN A 71 20.190 -2.538 -9.547 1.00 0.00 C ATOM 1132 O ASN A 71 21.242 -1.987 -9.883 1.00 0.00 O ATOM 1133 CB ASN A 71 19.574 -4.008 -11.541 1.00 0.00 C ATOM 1134 CG ASN A 71 18.409 -4.707 -12.219 1.00 0.00 C ATOM 1135 OD1 ASN A 71 17.617 -5.373 -11.574 1.00 0.00 O ATOM 1136 ND2 ASN A 71 18.245 -4.571 -13.514 1.00 0.00 N ATOM 0 H ASN A 71 18.832 -1.812 -12.377 1.00 0.00 H new ATOM 0 HA ASN A 71 18.239 -3.246 -10.041 1.00 0.00 H new ATOM 0 HB2 ASN A 71 20.235 -3.589 -12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.156 -4.738 -10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.457 -5.022 -13.978 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.906 -4.014 -14.056 1.00 0.00 H new ATOM 1143 N GLY A 72 19.919 -2.859 -8.280 1.00 0.00 N ATOM 1144 CA GLY A 72 20.771 -2.546 -7.126 1.00 0.00 C ATOM 1145 C GLY A 72 20.508 -1.183 -6.464 1.00 0.00 C ATOM 1146 O GLY A 72 21.289 -0.777 -5.600 1.00 0.00 O ATOM 0 H GLY A 72 19.071 -3.362 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.640 -3.326 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.813 -2.582 -7.444 1.00 0.00 H new ATOM 1150 N THR A 73 19.436 -0.466 -6.832 1.00 0.00 N ATOM 1151 CA THR A 73 19.077 0.826 -6.203 1.00 0.00 C ATOM 1152 C THR A 73 18.680 0.638 -4.737 1.00 0.00 C ATOM 1153 O THR A 73 17.824 -0.193 -4.420 1.00 0.00 O ATOM 1154 CB THR A 73 17.938 1.537 -6.954 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.342 1.816 -8.271 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.531 2.881 -6.349 1.00 0.00 C ATOM 0 H THR A 73 18.793 -0.758 -7.569 1.00 0.00 H new ATOM 0 HA THR A 73 19.967 1.453 -6.256 1.00 0.00 H new ATOM 0 HB THR A 73 17.091 0.853 -6.895 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.480 0.976 -8.756 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.723 3.315 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.193 2.731 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.387 3.556 -6.354 1.00 0.00 H new ATOM 1164 N ILE A 74 19.266 1.435 -3.836 1.00 0.00 N ATOM 1165 CA ILE A 74 18.849 1.502 -2.432 1.00 0.00 C ATOM 1166 C ILE A 74 17.717 2.531 -2.289 1.00 0.00 C ATOM 1167 O ILE A 74 17.858 3.698 -2.669 1.00 0.00 O ATOM 1168 CB ILE A 74 20.034 1.790 -1.482 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.224 0.831 -1.737 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.569 1.663 -0.016 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.499 1.219 -0.981 1.00 0.00 C ATOM 0 H ILE A 74 20.045 2.053 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 74 18.470 0.525 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 74 20.377 2.806 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.934 -0.179 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.438 0.808 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.407 1.867 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.770 2.380 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.201 0.653 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.289 0.503 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.814 2.216 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.302 1.214 0.091 1.00 0.00 H new ATOM 1183 N LEU A 75 16.593 2.093 -1.729 1.00 0.00 N ATOM 1184 CA LEU A 75 15.401 2.892 -1.442 1.00 0.00 C ATOM 1185 C LEU A 75 15.114 2.918 0.069 1.00 0.00 C ATOM 1186 O LEU A 75 15.718 2.178 0.843 1.00 0.00 O ATOM 1187 CB LEU A 75 14.198 2.321 -2.225 1.00 0.00 C ATOM 1188 CG LEU A 75 14.330 2.301 -3.761 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.074 1.677 -4.367 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.484 3.701 -4.356 1.00 0.00 C ATOM 0 H LEU A 75 16.481 1.119 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 75 15.573 3.920 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.021 1.301 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.314 2.903 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 75 15.225 1.724 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.163 1.661 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.959 0.658 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.202 2.266 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.573 3.628 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.610 4.302 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.379 4.173 -3.950 1.00 0.00 H new ATOM 1202 N ARG A 76 14.148 3.735 0.486 1.00 0.00 N ATOM 1203 CA ARG A 76 13.556 3.780 1.824 1.00 0.00 C ATOM 1204 C ARG A 76 12.032 3.798 1.722 1.00 0.00 C ATOM 1205 O ARG A 76 11.486 4.478 0.851 1.00 0.00 O ATOM 1206 CB ARG A 76 14.053 5.047 2.542 1.00 0.00 C ATOM 1207 CG ARG A 76 13.877 4.964 4.064 1.00 0.00 C ATOM 1208 CD ARG A 76 13.848 6.367 4.683 1.00 0.00 C ATOM 1209 NE ARG A 76 13.985 6.346 6.153 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.040 6.167 7.061 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.829 5.782 6.774 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.304 6.381 8.317 1.00 0.00 N ATOM 0 H ARG A 76 13.732 4.426 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 76 13.853 2.896 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.106 5.204 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.510 5.913 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.952 4.438 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.693 4.386 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.654 6.964 4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.912 6.858 4.417 1.00 0.00 H new ATOM 0 HE ARG A 76 14.928 6.488 6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.567 5.602 5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.142 5.661 7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.236 6.685 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.579 6.244 9.021 1.00 0.00 H new ATOM 1226 N LEU A 77 11.347 3.079 2.608 1.00 0.00 N ATOM 1227 CA LEU A 77 9.900 3.225 2.794 1.00 0.00 C ATOM 1228 C LEU A 77 9.638 4.477 3.652 1.00 0.00 C ATOM 1229 O LEU A 77 10.386 4.757 4.591 1.00 0.00 O ATOM 1230 CB LEU A 77 9.340 1.928 3.404 1.00 0.00 C ATOM 1231 CG LEU A 77 7.835 1.938 3.695 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.025 1.948 2.395 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.434 0.695 4.480 1.00 0.00 C ATOM 0 H LEU A 77 11.774 2.381 3.216 1.00 0.00 H new ATOM 0 HA LEU A 77 9.381 3.373 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.557 1.103 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.872 1.724 4.333 1.00 0.00 H new ATOM 0 HG LEU A 77 7.625 2.838 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.961 1.955 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.275 2.838 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.262 1.058 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.362 0.719 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.676 -0.195 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.977 0.671 5.425 1.00 0.00 H new ATOM 1245 N THR A 78 8.607 5.256 3.333 1.00 0.00 N ATOM 1246 CA THR A 78 8.301 6.528 4.014 1.00 0.00 C ATOM 1247 C THR A 78 6.827 6.914 3.824 1.00 0.00 C ATOM 1248 O THR A 78 6.208 6.508 2.840 1.00 0.00 O ATOM 1249 CB THR A 78 9.263 7.628 3.511 1.00 0.00 C ATOM 1250 OG1 THR A 78 9.002 8.859 4.147 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.216 7.866 1.997 1.00 0.00 C ATOM 0 H THR A 78 7.949 5.026 2.588 1.00 0.00 H new ATOM 0 HA THR A 78 8.454 6.409 5.087 1.00 0.00 H new ATOM 0 HB THR A 78 10.256 7.253 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.625 9.538 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.921 8.653 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.484 6.947 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.209 8.167 1.707 1.00 0.00 H new ATOM 1259 N THR A 79 6.220 7.669 4.745 1.00 0.00 N ATOM 1260 CA THR A 79 4.883 8.247 4.514 1.00 0.00 C ATOM 1261 C THR A 79 4.957 9.418 3.519 1.00 0.00 C ATOM 1262 O THR A 79 5.852 10.266 3.562 1.00 0.00 O ATOM 1263 CB THR A 79 4.146 8.615 5.811 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.962 9.387 6.670 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.652 7.377 6.565 1.00 0.00 C ATOM 0 H THR A 79 6.626 7.896 5.653 1.00 0.00 H new ATOM 0 HA THR A 79 4.273 7.466 4.060 1.00 0.00 H new ATOM 0 HB THR A 79 3.281 9.206 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.464 9.606 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.137 7.686 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.964 6.816 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.502 6.746 6.826 1.00 0.00 H new ATOM 1273 N SER A 80 4.022 9.430 2.570 1.00 0.00 N ATOM 1274 CA SER A 80 4.001 10.285 1.379 1.00 0.00 C ATOM 1275 C SER A 80 3.702 11.767 1.665 1.00 0.00 C ATOM 1276 O SER A 80 2.864 12.065 2.523 1.00 0.00 O ATOM 1277 CB SER A 80 2.941 9.730 0.418 1.00 0.00 C ATOM 1278 OG SER A 80 2.864 10.506 -0.763 1.00 0.00 O ATOM 0 H SER A 80 3.213 8.810 2.612 1.00 0.00 H new ATOM 0 HA SER A 80 5.003 10.264 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.182 8.698 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.969 9.718 0.912 1.00 0.00 H new ATOM 0 HG SER A 80 2.182 10.129 -1.358 1.00 0.00 H new