USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 63 THR OG1 : rot 180:sc= -0.0138 USER MOD Set 1.2: A 75 SER OG : rot 100:sc= 0.929 USER MOD Set 2.1: A 60 LYS NZ :NH3+ 160:sc= -0.0197 (180deg=-0.252) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.0965 X(o=-0.12,f=-0.1) USER MOD Set 3.1: A 48 SER OG : rot 121:sc= -2.82! USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= 0.00964 USER MOD Set 3.3: A 51 ASN : amide:sc= -16.9! C(o=-20!,f=-23!) USER MOD Set 4.1: A 29 THR OG1 : rot 81:sc= -2.22! USER MOD Set 4.2: A 32 CYS SG : rot 180:sc= -1.23 USER MOD Set 4.3: A 34 MET CE :methyl -127:sc= -0.877 (180deg=-2.09!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.329 (180deg=-1.24!) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.388 (180deg=-1.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -0.387 (180deg=-1.5!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= -1.63 (180deg=-2.23!) USER MOD Single : A 45 GLN :FLIP amide:sc= -4.8! C(o=-9.9!,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.332) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.47 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -35:sc= 0.373 USER MOD Single : A 78 THR OG1 : rot 17:sc= -0.84 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.7) USER MOD Single : A 86 GLN : amide:sc= -0.0667 K(o=-0.067,f=-2.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -29:sc= -0.457 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 89.861 5.553 -10.375 1.00 0.00 N ATOM 87 CA VAL A 6 89.675 4.851 -9.064 1.00 0.00 C ATOM 88 C VAL A 6 88.727 3.668 -9.266 1.00 0.00 C ATOM 89 O VAL A 6 87.746 3.764 -9.977 1.00 0.00 O ATOM 90 CB VAL A 6 89.068 5.826 -8.054 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.738 5.083 -6.759 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.073 6.942 -7.758 1.00 0.00 C ATOM 0 HA VAL A 6 90.635 4.494 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 6 88.156 6.256 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.306 5.779 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.023 4.287 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.649 4.653 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.642 7.638 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 6 90.985 6.510 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.309 7.473 -8.680 1.00 0.00 H new ATOM 102 N SER A 7 89.010 2.547 -8.655 1.00 0.00 N ATOM 103 CA SER A 7 88.121 1.362 -8.827 1.00 0.00 C ATOM 104 C SER A 7 86.936 1.457 -7.866 1.00 0.00 C ATOM 105 O SER A 7 87.034 1.126 -6.703 1.00 0.00 O ATOM 106 CB SER A 7 88.907 0.088 -8.537 1.00 0.00 C ATOM 107 OG SER A 7 90.201 0.189 -9.118 1.00 0.00 O ATOM 0 H SER A 7 89.816 2.402 -8.047 1.00 0.00 H new ATOM 0 HA SER A 7 87.752 1.339 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.990 -0.064 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.381 -0.777 -8.941 1.00 0.00 H new ATOM 0 HG SER A 7 90.708 -0.628 -8.931 1.00 0.00 H new ATOM 113 N PHE A 8 85.818 1.896 -8.360 1.00 0.00 N ATOM 114 CA PHE A 8 84.599 2.023 -7.508 1.00 0.00 C ATOM 115 C PHE A 8 83.842 0.690 -7.497 1.00 0.00 C ATOM 116 O PHE A 8 83.778 -0.002 -8.494 1.00 0.00 O ATOM 117 CB PHE A 8 83.702 3.111 -8.096 1.00 0.00 C ATOM 118 CG PHE A 8 83.478 2.838 -9.564 1.00 0.00 C ATOM 119 CD1 PHE A 8 82.454 1.973 -9.968 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.297 3.448 -10.522 1.00 0.00 C ATOM 121 CE1 PHE A 8 82.249 1.719 -11.330 1.00 0.00 C ATOM 122 CE2 PHE A 8 84.092 3.194 -11.883 1.00 0.00 C ATOM 123 CZ PHE A 8 83.068 2.329 -12.287 1.00 0.00 C ATOM 0 H PHE A 8 85.690 2.178 -9.332 1.00 0.00 H new ATOM 0 HA PHE A 8 84.883 2.284 -6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.748 3.135 -7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 8 84.164 4.089 -7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 8 81.822 1.502 -9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 8 85.087 4.115 -10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 8 81.459 1.052 -11.642 1.00 0.00 H new ATOM 0 HE2 PHE A 8 84.724 3.665 -12.621 1.00 0.00 H new ATOM 0 HZ PHE A 8 82.910 2.132 -13.337 1.00 0.00 H new ATOM 133 N PHE A 9 83.263 0.331 -6.376 1.00 0.00 N ATOM 134 CA PHE A 9 82.496 -0.954 -6.281 1.00 0.00 C ATOM 135 C PHE A 9 81.088 -0.652 -5.759 1.00 0.00 C ATOM 136 O PHE A 9 80.913 0.099 -4.819 1.00 0.00 O ATOM 137 CB PHE A 9 83.207 -1.904 -5.304 1.00 0.00 C ATOM 138 CG PHE A 9 84.372 -2.583 -5.990 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.571 -1.887 -6.188 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.255 -3.911 -6.422 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.652 -2.518 -6.816 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.335 -4.542 -7.050 1.00 0.00 C ATOM 143 CZ PHE A 9 86.534 -3.846 -7.247 1.00 0.00 C ATOM 0 H PHE A 9 83.289 0.877 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 9 82.437 -1.423 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.561 -1.347 -4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.505 -2.653 -4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.662 -0.863 -5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.330 -4.448 -6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.577 -1.981 -6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.244 -5.565 -7.383 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.368 -4.333 -7.731 1.00 0.00 H new ATOM 153 N LEU A 10 80.083 -1.231 -6.356 1.00 0.00 N ATOM 154 CA LEU A 10 78.693 -0.974 -5.887 1.00 0.00 C ATOM 155 C LEU A 10 78.422 -1.787 -4.631 1.00 0.00 C ATOM 156 O LEU A 10 78.216 -2.984 -4.681 1.00 0.00 O ATOM 157 CB LEU A 10 77.692 -1.379 -6.975 1.00 0.00 C ATOM 158 CG LEU A 10 76.252 -0.988 -6.560 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.969 0.462 -6.950 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.248 -1.897 -7.277 1.00 0.00 C ATOM 0 H LEU A 10 80.164 -1.870 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 10 78.581 0.088 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.951 -0.892 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.748 -2.454 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 10 76.155 -1.101 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.954 0.727 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.677 1.119 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 10 76.073 0.576 -8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.235 -1.622 -6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.359 -1.782 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.436 -2.935 -7.002 1.00 0.00 H new ATOM 172 N VAL A 11 78.387 -1.127 -3.508 1.00 0.00 N ATOM 173 CA VAL A 11 78.090 -1.814 -2.221 1.00 0.00 C ATOM 174 C VAL A 11 76.812 -1.197 -1.671 1.00 0.00 C ATOM 175 O VAL A 11 76.567 -0.019 -1.846 1.00 0.00 O ATOM 176 CB VAL A 11 79.251 -1.614 -1.240 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.576 -1.966 -1.933 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.297 -0.159 -0.766 1.00 0.00 C ATOM 0 H VAL A 11 78.554 -0.124 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 11 77.964 -2.887 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 11 79.102 -2.265 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.401 -1.823 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.551 -3.006 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.717 -1.319 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.126 -0.029 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.437 0.499 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.361 0.091 -0.267 1.00 0.00 H new ATOM 188 N LYS A 12 75.989 -1.972 -1.021 1.00 0.00 N ATOM 189 CA LYS A 12 74.710 -1.423 -0.474 1.00 0.00 C ATOM 190 C LYS A 12 74.836 -1.312 1.041 1.00 0.00 C ATOM 191 O LYS A 12 75.367 -2.185 1.699 1.00 0.00 O ATOM 192 CB LYS A 12 73.542 -2.368 -0.854 1.00 0.00 C ATOM 193 CG LYS A 12 72.680 -1.732 -1.955 1.00 0.00 C ATOM 194 CD LYS A 12 71.687 -2.763 -2.489 1.00 0.00 C ATOM 195 CE LYS A 12 70.922 -2.173 -3.677 1.00 0.00 C ATOM 196 NZ LYS A 12 71.887 -1.621 -4.670 1.00 0.00 N ATOM 0 H LYS A 12 76.145 -2.964 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 12 74.509 -0.437 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.936 -3.324 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.930 -2.572 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.145 -0.869 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.315 -1.370 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.215 -3.666 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.990 -3.053 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.305 -2.941 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.248 -1.388 -3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.426 -1.550 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.197 -0.676 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.712 -2.251 -4.739 1.00 0.00 H new ATOM 210 N GLU A 13 74.343 -0.239 1.592 1.00 0.00 N ATOM 211 CA GLU A 13 74.415 -0.042 3.066 1.00 0.00 C ATOM 212 C GLU A 13 73.041 -0.318 3.659 1.00 0.00 C ATOM 213 O GLU A 13 72.042 -0.299 2.968 1.00 0.00 O ATOM 214 CB GLU A 13 74.825 1.396 3.375 1.00 0.00 C ATOM 215 CG GLU A 13 76.100 1.737 2.603 1.00 0.00 C ATOM 216 CD GLU A 13 76.619 3.104 3.051 1.00 0.00 C ATOM 217 OE1 GLU A 13 75.949 4.088 2.781 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.677 3.144 3.656 1.00 0.00 O ATOM 0 H GLU A 13 73.889 0.517 1.079 1.00 0.00 H new ATOM 0 HA GLU A 13 75.152 -0.720 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.024 2.082 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.992 1.516 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.858 0.974 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.898 1.746 1.532 1.00 0.00 H new ATOM 225 N LYS A 14 72.984 -0.579 4.933 1.00 0.00 N ATOM 226 CA LYS A 14 71.680 -0.868 5.593 1.00 0.00 C ATOM 227 C LYS A 14 71.215 0.376 6.350 1.00 0.00 C ATOM 228 O LYS A 14 71.879 0.868 7.241 1.00 0.00 O ATOM 229 CB LYS A 14 71.844 -2.058 6.565 1.00 0.00 C ATOM 230 CG LYS A 14 72.977 -2.994 6.099 1.00 0.00 C ATOM 231 CD LYS A 14 72.668 -3.601 4.713 1.00 0.00 C ATOM 232 CE LYS A 14 71.689 -4.777 4.850 1.00 0.00 C ATOM 233 NZ LYS A 14 72.210 -5.758 5.845 1.00 0.00 N ATOM 0 H LYS A 14 73.793 -0.605 5.553 1.00 0.00 H new ATOM 0 HA LYS A 14 70.934 -1.130 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.061 -1.688 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.909 -2.614 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.915 -2.440 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 14 73.113 -3.794 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 14 72.241 -2.838 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.591 -3.941 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 14 70.711 -4.412 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 14 71.553 -5.263 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 71.857 -6.708 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.250 -5.760 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 71.888 -5.491 6.797 1.00 0.00 H new ATOM 351 N LEU A 21 67.712 -0.820 1.574 1.00 0.00 N ATOM 352 CA LEU A 21 69.207 -0.794 1.485 1.00 0.00 C ATOM 353 C LEU A 21 69.607 0.517 0.814 1.00 0.00 C ATOM 354 O LEU A 21 68.810 1.128 0.130 1.00 0.00 O ATOM 355 CB LEU A 21 69.735 -1.959 0.629 1.00 0.00 C ATOM 356 CG LEU A 21 69.121 -3.294 1.080 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.353 -4.358 0.005 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.781 -3.752 2.382 1.00 0.00 C ATOM 0 HA LEU A 21 69.627 -0.885 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.498 -1.781 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.821 -2.009 0.706 1.00 0.00 H new ATOM 0 HG LEU A 21 68.051 -3.157 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.916 -5.303 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.885 -4.042 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.424 -4.488 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.343 -4.699 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.851 -3.883 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.620 -3.001 3.155 1.00 0.00 H new ATOM 370 N VAL A 22 70.827 0.961 0.999 1.00 0.00 N ATOM 371 CA VAL A 22 71.267 2.250 0.361 1.00 0.00 C ATOM 372 C VAL A 22 72.513 1.980 -0.535 1.00 0.00 C ATOM 373 O VAL A 22 73.563 1.669 -0.009 1.00 0.00 O ATOM 374 CB VAL A 22 71.618 3.243 1.503 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.757 4.195 1.095 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.379 4.079 1.853 1.00 0.00 C ATOM 0 H VAL A 22 71.537 0.492 1.561 1.00 0.00 H new ATOM 0 HA VAL A 22 70.480 2.670 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 22 71.945 2.659 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.975 4.875 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.649 3.615 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.455 4.770 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.625 4.776 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 22 70.056 4.636 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.575 3.419 2.180 1.00 0.00 H new ATOM 386 N PRO A 23 72.392 2.128 -1.855 1.00 0.00 N ATOM 387 CA PRO A 23 73.546 1.925 -2.761 1.00 0.00 C ATOM 388 C PRO A 23 74.701 2.864 -2.393 1.00 0.00 C ATOM 389 O PRO A 23 74.500 3.973 -1.940 1.00 0.00 O ATOM 390 CB PRO A 23 73.005 2.265 -4.167 1.00 0.00 C ATOM 391 CG PRO A 23 71.465 2.300 -4.058 1.00 0.00 C ATOM 392 CD PRO A 23 71.129 2.461 -2.561 1.00 0.00 C ATOM 0 HA PRO A 23 73.940 0.910 -2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.390 3.226 -4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.324 1.519 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 23 71.055 3.127 -4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 23 71.028 1.384 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.804 3.477 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.320 1.794 -2.262 1.00 0.00 H new ATOM 400 N ARG A 24 75.908 2.423 -2.606 1.00 0.00 N ATOM 401 CA ARG A 24 77.088 3.277 -2.296 1.00 0.00 C ATOM 402 C ARG A 24 78.256 2.822 -3.172 1.00 0.00 C ATOM 403 O ARG A 24 78.378 1.655 -3.487 1.00 0.00 O ATOM 404 CB ARG A 24 77.446 3.128 -0.811 1.00 0.00 C ATOM 405 CG ARG A 24 78.529 4.150 -0.411 1.00 0.00 C ATOM 406 CD ARG A 24 77.883 5.489 -0.024 1.00 0.00 C ATOM 407 NE ARG A 24 77.493 5.453 1.413 1.00 0.00 N ATOM 408 CZ ARG A 24 77.211 6.562 2.039 1.00 0.00 C ATOM 409 NH1 ARG A 24 77.253 7.700 1.401 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.885 6.533 3.303 1.00 0.00 N ATOM 0 H ARG A 24 76.130 1.502 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 24 76.866 4.325 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.556 3.275 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.803 2.117 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.111 3.764 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.222 4.299 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.581 6.307 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.007 5.676 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 24 77.446 4.562 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.506 7.722 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 24 77.033 8.567 1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.851 5.643 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.664 7.400 3.793 1.00 0.00 H new ATOM 424 N LEU A 25 79.121 3.722 -3.562 1.00 0.00 N ATOM 425 CA LEU A 25 80.291 3.336 -4.406 1.00 0.00 C ATOM 426 C LEU A 25 81.531 3.334 -3.509 1.00 0.00 C ATOM 427 O LEU A 25 81.666 4.163 -2.630 1.00 0.00 O ATOM 428 CB LEU A 25 80.448 4.347 -5.543 1.00 0.00 C ATOM 429 CG LEU A 25 79.328 4.149 -6.573 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.359 5.308 -7.577 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.494 2.807 -7.317 1.00 0.00 C ATOM 0 H LEU A 25 79.067 4.714 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 25 80.152 2.348 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.415 5.362 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.420 4.223 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 25 78.370 4.132 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.566 5.174 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.210 6.250 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.324 5.325 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.688 2.690 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.453 2.795 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.459 1.987 -6.600 1.00 0.00 H new ATOM 443 N LEU A 26 82.416 2.388 -3.698 1.00 0.00 N ATOM 444 CA LEU A 26 83.637 2.295 -2.832 1.00 0.00 C ATOM 445 C LEU A 26 84.899 2.303 -3.701 1.00 0.00 C ATOM 446 O LEU A 26 85.208 1.350 -4.389 1.00 0.00 O ATOM 447 CB LEU A 26 83.548 0.987 -2.033 1.00 0.00 C ATOM 448 CG LEU A 26 84.869 0.694 -1.318 1.00 0.00 C ATOM 449 CD1 LEU A 26 85.333 1.933 -0.544 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.660 -0.468 -0.343 1.00 0.00 C ATOM 0 H LEU A 26 82.347 1.670 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 26 83.690 3.147 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.742 1.056 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.301 0.163 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 26 85.629 0.431 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.274 1.715 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 26 85.477 2.762 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 26 84.579 2.204 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.596 -0.684 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.898 -0.197 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.336 -1.351 -0.894 1.00 0.00 H new ATOM 462 N GLY A 27 85.622 3.389 -3.665 1.00 0.00 N ATOM 463 CA GLY A 27 86.868 3.521 -4.474 1.00 0.00 C ATOM 464 C GLY A 27 88.071 2.947 -3.728 1.00 0.00 C ATOM 465 O GLY A 27 88.336 3.290 -2.593 1.00 0.00 O ATOM 0 H GLY A 27 85.397 4.206 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.745 3.003 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 27 87.046 4.571 -4.704 1.00 0.00 H new ATOM 469 N ILE A 28 88.815 2.086 -4.381 1.00 0.00 N ATOM 470 CA ILE A 28 90.034 1.482 -3.754 1.00 0.00 C ATOM 471 C ILE A 28 91.264 2.017 -4.491 1.00 0.00 C ATOM 472 O ILE A 28 91.478 1.719 -5.649 1.00 0.00 O ATOM 473 CB ILE A 28 89.993 -0.047 -3.899 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.643 -0.591 -3.412 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.119 -0.669 -3.072 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.316 -0.044 -2.021 1.00 0.00 C ATOM 0 H ILE A 28 88.627 1.772 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 28 90.073 1.740 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 28 90.122 -0.305 -4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.857 -0.311 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.672 -1.680 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.090 -1.754 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 28 92.080 -0.297 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.991 -0.401 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.356 -0.440 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 28 89.093 -0.346 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.266 1.044 -2.060 1.00 0.00 H new ATOM 488 N THR A 29 92.071 2.815 -3.841 1.00 0.00 N ATOM 489 CA THR A 29 93.277 3.374 -4.524 1.00 0.00 C ATOM 490 C THR A 29 94.469 2.431 -4.316 1.00 0.00 C ATOM 491 O THR A 29 94.356 1.398 -3.686 1.00 0.00 O ATOM 492 CB THR A 29 93.587 4.767 -3.936 1.00 0.00 C ATOM 493 OG1 THR A 29 92.392 5.321 -3.409 1.00 0.00 O ATOM 494 CG2 THR A 29 94.137 5.698 -5.026 1.00 0.00 C ATOM 0 H THR A 29 91.948 3.103 -2.870 1.00 0.00 H new ATOM 0 HA THR A 29 93.089 3.469 -5.594 1.00 0.00 H new ATOM 0 HB THR A 29 94.335 4.664 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 29 92.224 4.949 -2.518 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.351 6.676 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.053 5.275 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.398 5.805 -5.820 1.00 0.00 H new ATOM 502 N LYS A 30 95.609 2.784 -4.844 1.00 0.00 N ATOM 503 CA LYS A 30 96.811 1.920 -4.686 1.00 0.00 C ATOM 504 C LYS A 30 97.432 2.155 -3.308 1.00 0.00 C ATOM 505 O LYS A 30 98.316 1.437 -2.883 1.00 0.00 O ATOM 506 CB LYS A 30 97.827 2.272 -5.778 1.00 0.00 C ATOM 507 CG LYS A 30 97.802 3.783 -6.012 1.00 0.00 C ATOM 508 CD LYS A 30 99.033 4.204 -6.817 1.00 0.00 C ATOM 509 CE LYS A 30 98.965 5.707 -7.109 1.00 0.00 C ATOM 510 NZ LYS A 30 99.419 6.468 -5.911 1.00 0.00 N ATOM 0 H LYS A 30 95.759 3.638 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 30 96.526 0.872 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.826 1.954 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.586 1.744 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.894 4.062 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.784 4.308 -5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.941 3.972 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.079 3.643 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 30 99.592 5.950 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.945 5.992 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.373 7.488 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 98.803 6.244 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.399 6.204 -5.683 1.00 0.00 H new ATOM 524 N GLU A 31 96.984 3.162 -2.609 1.00 0.00 N ATOM 525 CA GLU A 31 97.553 3.455 -1.261 1.00 0.00 C ATOM 526 C GLU A 31 96.464 4.005 -0.340 1.00 0.00 C ATOM 527 O GLU A 31 96.745 4.494 0.737 1.00 0.00 O ATOM 528 CB GLU A 31 98.659 4.497 -1.407 1.00 0.00 C ATOM 529 CG GLU A 31 99.737 3.969 -2.347 1.00 0.00 C ATOM 530 CD GLU A 31 101.006 4.813 -2.204 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.921 6.013 -2.410 1.00 0.00 O ATOM 532 OE2 GLU A 31 102.040 4.246 -1.892 1.00 0.00 O ATOM 0 H GLU A 31 96.246 3.797 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 31 97.954 2.537 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 31 98.247 5.428 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 31 99.091 4.723 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.955 2.926 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.382 4.001 -3.377 1.00 0.00 H new ATOM 539 N CYS A 32 95.225 3.939 -0.744 1.00 0.00 N ATOM 540 CA CYS A 32 94.146 4.475 0.134 1.00 0.00 C ATOM 541 C CYS A 32 92.773 3.969 -0.333 1.00 0.00 C ATOM 542 O CYS A 32 92.590 3.563 -1.464 1.00 0.00 O ATOM 543 CB CYS A 32 94.174 6.023 0.094 1.00 0.00 C ATOM 544 SG CYS A 32 95.037 6.586 -1.395 1.00 0.00 S ATOM 0 H CYS A 32 94.915 3.543 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 32 94.315 4.130 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 32 93.157 6.414 0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.674 6.409 0.982 1.00 0.00 H new ATOM 0 HG CYS A 32 95.054 7.886 -1.421 1.00 0.00 H new ATOM 550 N VAL A 33 91.803 4.031 0.546 1.00 0.00 N ATOM 551 CA VAL A 33 90.411 3.603 0.209 1.00 0.00 C ATOM 552 C VAL A 33 89.514 4.818 0.428 1.00 0.00 C ATOM 553 O VAL A 33 89.758 5.598 1.325 1.00 0.00 O ATOM 554 CB VAL A 33 89.982 2.467 1.143 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.509 2.134 0.908 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.840 1.230 0.866 1.00 0.00 C ATOM 0 H VAL A 33 91.921 4.367 1.502 1.00 0.00 H new ATOM 0 HA VAL A 33 90.344 3.245 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 33 90.117 2.779 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 33 88.208 1.326 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.900 3.016 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.367 1.823 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.536 0.420 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.706 0.919 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.889 1.468 1.041 1.00 0.00 H new ATOM 566 N MET A 34 88.505 5.023 -0.386 1.00 0.00 N ATOM 567 CA MET A 34 87.644 6.240 -0.203 1.00 0.00 C ATOM 568 C MET A 34 86.169 5.891 -0.266 1.00 0.00 C ATOM 569 O MET A 34 85.759 4.944 -0.905 1.00 0.00 O ATOM 570 CB MET A 34 87.968 7.259 -1.302 1.00 0.00 C ATOM 571 CG MET A 34 88.141 6.536 -2.643 1.00 0.00 C ATOM 572 SD MET A 34 89.840 5.924 -2.792 1.00 0.00 S ATOM 573 CE MET A 34 90.681 7.528 -2.902 1.00 0.00 C ATOM 0 H MET A 34 88.241 4.412 -1.159 1.00 0.00 H new ATOM 0 HA MET A 34 87.854 6.660 0.781 1.00 0.00 H new ATOM 0 HB2 MET A 34 87.168 7.996 -1.376 1.00 0.00 H new ATOM 0 HB3 MET A 34 88.879 7.802 -1.051 1.00 0.00 H new ATOM 0 HG2 MET A 34 87.438 5.706 -2.713 1.00 0.00 H new ATOM 0 HG3 MET A 34 87.915 7.215 -3.465 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.317 7.545 -3.787 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.939 8.324 -2.973 1.00 0.00 H new ATOM 0 HE3 MET A 34 91.292 7.680 -2.013 1.00 0.00 H new ATOM 583 N ARG A 35 85.365 6.680 0.390 1.00 0.00 N ATOM 584 CA ARG A 35 83.898 6.428 0.369 1.00 0.00 C ATOM 585 C ARG A 35 83.314 7.229 -0.784 1.00 0.00 C ATOM 586 O ARG A 35 83.628 8.390 -0.961 1.00 0.00 O ATOM 587 CB ARG A 35 83.271 6.910 1.674 1.00 0.00 C ATOM 588 CG ARG A 35 83.676 5.974 2.815 1.00 0.00 C ATOM 589 CD ARG A 35 82.875 6.320 4.072 1.00 0.00 C ATOM 590 NE ARG A 35 82.825 7.800 4.234 1.00 0.00 N ATOM 591 CZ ARG A 35 81.978 8.336 5.071 1.00 0.00 C ATOM 592 NH1 ARG A 35 81.173 7.575 5.760 1.00 0.00 N ATOM 593 NH2 ARG A 35 81.938 9.631 5.218 1.00 0.00 N ATOM 0 H ARG A 35 85.660 7.487 0.939 1.00 0.00 H new ATOM 0 HA ARG A 35 83.698 5.363 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.597 7.927 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.185 6.936 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.495 4.938 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.743 6.068 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.865 5.917 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.335 5.862 4.948 1.00 0.00 H new ATOM 0 HE ARG A 35 83.452 8.394 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.205 6.562 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.511 7.993 6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 35 82.568 10.225 4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 35 81.276 10.050 5.872 1.00 0.00 H new ATOM 607 N VAL A 36 82.488 6.613 -1.591 1.00 0.00 N ATOM 608 CA VAL A 36 81.904 7.330 -2.760 1.00 0.00 C ATOM 609 C VAL A 36 80.401 7.058 -2.834 1.00 0.00 C ATOM 610 O VAL A 36 79.963 5.925 -2.859 1.00 0.00 O ATOM 611 CB VAL A 36 82.591 6.828 -4.033 1.00 0.00 C ATOM 612 CG1 VAL A 36 82.120 7.647 -5.237 1.00 0.00 C ATOM 613 CG2 VAL A 36 84.109 6.969 -3.883 1.00 0.00 C ATOM 0 H VAL A 36 82.193 5.642 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 36 82.059 8.404 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 36 82.334 5.780 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.613 7.284 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.040 7.544 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 36 82.371 8.697 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.599 6.612 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.363 8.017 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.447 6.379 -3.031 1.00 0.00 H new ATOM 623 N ASP A 37 79.609 8.095 -2.870 1.00 0.00 N ATOM 624 CA ASP A 37 78.134 7.910 -2.943 1.00 0.00 C ATOM 625 C ASP A 37 77.755 7.426 -4.338 1.00 0.00 C ATOM 626 O ASP A 37 78.378 7.772 -5.315 1.00 0.00 O ATOM 627 CB ASP A 37 77.435 9.242 -2.659 1.00 0.00 C ATOM 628 CG ASP A 37 75.956 8.991 -2.359 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.528 7.857 -2.499 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.276 9.936 -1.995 1.00 0.00 O ATOM 0 H ASP A 37 79.923 9.065 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 37 77.823 7.173 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.909 9.740 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.535 9.907 -3.517 1.00 0.00 H new ATOM 635 N GLU A 38 76.729 6.636 -4.434 1.00 0.00 N ATOM 636 CA GLU A 38 76.288 6.129 -5.762 1.00 0.00 C ATOM 637 C GLU A 38 75.280 7.115 -6.318 1.00 0.00 C ATOM 638 O GLU A 38 75.048 7.211 -7.507 1.00 0.00 O ATOM 639 CB GLU A 38 75.636 4.767 -5.553 1.00 0.00 C ATOM 640 CG GLU A 38 75.523 4.011 -6.874 1.00 0.00 C ATOM 641 CD GLU A 38 74.461 4.669 -7.756 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.558 5.280 -7.208 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.568 4.551 -8.966 1.00 0.00 O ATOM 0 H GLU A 38 76.170 6.315 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 38 77.122 6.027 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.223 4.183 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.645 4.896 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.485 4.009 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.260 2.970 -6.687 1.00 0.00 H new ATOM 650 N LYS A 39 74.690 7.846 -5.435 1.00 0.00 N ATOM 651 CA LYS A 39 73.685 8.854 -5.819 1.00 0.00 C ATOM 652 C LYS A 39 74.378 10.032 -6.496 1.00 0.00 C ATOM 653 O LYS A 39 73.999 10.461 -7.568 1.00 0.00 O ATOM 654 CB LYS A 39 72.996 9.330 -4.549 1.00 0.00 C ATOM 655 CG LYS A 39 71.963 10.411 -4.890 1.00 0.00 C ATOM 656 CD LYS A 39 71.152 10.786 -3.637 1.00 0.00 C ATOM 657 CE LYS A 39 69.970 9.823 -3.458 1.00 0.00 C ATOM 658 NZ LYS A 39 69.113 9.852 -4.678 1.00 0.00 N ATOM 0 H LYS A 39 74.867 7.786 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 39 72.959 8.427 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.507 8.491 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.734 9.727 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.466 11.294 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 39 71.293 10.051 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 39 71.794 10.752 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 39 70.786 11.809 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.335 8.811 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.385 10.108 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.120 9.701 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.208 10.775 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.413 9.100 -5.331 1.00 0.00 H new ATOM 672 N THR A 40 75.388 10.565 -5.862 1.00 0.00 N ATOM 673 CA THR A 40 76.119 11.735 -6.439 1.00 0.00 C ATOM 674 C THR A 40 77.445 11.285 -7.057 1.00 0.00 C ATOM 675 O THR A 40 78.163 12.081 -7.628 1.00 0.00 O ATOM 676 CB THR A 40 76.405 12.744 -5.324 1.00 0.00 C ATOM 677 OG1 THR A 40 76.984 12.071 -4.216 1.00 0.00 O ATOM 678 CG2 THR A 40 75.101 13.413 -4.893 1.00 0.00 C ATOM 0 H THR A 40 75.742 10.239 -4.963 1.00 0.00 H new ATOM 0 HA THR A 40 75.503 12.190 -7.214 1.00 0.00 H new ATOM 0 HB THR A 40 77.096 13.504 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 40 77.169 12.716 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 40 75.306 14.131 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.658 13.930 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.407 12.656 -4.527 1.00 0.00 H new ATOM 686 N LYS A 41 77.793 10.027 -6.952 1.00 0.00 N ATOM 687 CA LYS A 41 79.088 9.585 -7.546 1.00 0.00 C ATOM 688 C LYS A 41 80.206 10.499 -7.041 1.00 0.00 C ATOM 689 O LYS A 41 81.239 10.639 -7.667 1.00 0.00 O ATOM 690 CB LYS A 41 79.002 9.674 -9.070 1.00 0.00 C ATOM 691 CG LYS A 41 77.706 9.014 -9.540 1.00 0.00 C ATOM 692 CD LYS A 41 77.712 8.891 -11.066 1.00 0.00 C ATOM 693 CE LYS A 41 77.903 10.271 -11.701 1.00 0.00 C ATOM 694 NZ LYS A 41 77.140 11.290 -10.926 1.00 0.00 N ATOM 0 H LYS A 41 77.247 9.300 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 41 79.297 8.555 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 41 79.029 10.716 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.861 9.180 -9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.604 8.028 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.848 9.604 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.512 8.222 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.775 8.451 -11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.961 10.531 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 41 77.561 10.256 -12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 76.838 12.056 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 76.303 10.845 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 77.746 11.681 -10.176 1.00 0.00 H new ATOM 708 N GLU A 42 80.002 11.128 -5.910 1.00 0.00 N ATOM 709 CA GLU A 42 81.042 12.047 -5.348 1.00 0.00 C ATOM 710 C GLU A 42 81.839 11.302 -4.270 1.00 0.00 C ATOM 711 O GLU A 42 81.414 10.284 -3.773 1.00 0.00 O ATOM 712 CB GLU A 42 80.341 13.283 -4.736 1.00 0.00 C ATOM 713 CG GLU A 42 80.844 14.570 -5.398 1.00 0.00 C ATOM 714 CD GLU A 42 80.462 14.568 -6.879 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.368 14.126 -7.188 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.270 15.009 -7.680 1.00 0.00 O ATOM 0 H GLU A 42 79.155 11.044 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 42 81.724 12.373 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.262 13.198 -4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.530 13.321 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.412 15.439 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.926 14.647 -5.291 1.00 0.00 H new ATOM 723 N VAL A 43 82.984 11.815 -3.902 1.00 0.00 N ATOM 724 CA VAL A 43 83.809 11.147 -2.849 1.00 0.00 C ATOM 725 C VAL A 43 83.380 11.659 -1.475 1.00 0.00 C ATOM 726 O VAL A 43 83.390 12.845 -1.214 1.00 0.00 O ATOM 727 CB VAL A 43 85.291 11.464 -3.080 1.00 0.00 C ATOM 728 CG1 VAL A 43 86.122 10.967 -1.893 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.764 10.763 -4.353 1.00 0.00 C ATOM 0 H VAL A 43 83.385 12.670 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 43 83.663 10.068 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 43 85.416 12.542 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 43 87.174 11.196 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.787 11.462 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.997 9.889 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.818 10.986 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.634 9.686 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.179 11.116 -5.202 1.00 0.00 H new ATOM 739 N ILE A 44 82.996 10.771 -0.592 1.00 0.00 N ATOM 740 CA ILE A 44 82.557 11.203 0.764 1.00 0.00 C ATOM 741 C ILE A 44 83.723 11.114 1.750 1.00 0.00 C ATOM 742 O ILE A 44 83.768 11.835 2.726 1.00 0.00 O ATOM 743 CB ILE A 44 81.414 10.307 1.242 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.342 10.202 0.147 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.798 10.906 2.504 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.938 11.600 -0.339 1.00 0.00 C ATOM 0 H ILE A 44 82.969 9.765 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 44 82.215 12.237 0.712 1.00 0.00 H new ATOM 0 HB ILE A 44 81.801 9.312 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.723 9.615 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.468 9.677 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.982 10.270 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.558 10.975 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.413 11.902 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.178 11.510 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.538 12.174 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.811 12.111 -0.745 1.00 0.00 H new ATOM 758 N GLN A 45 84.671 10.242 1.520 1.00 0.00 N ATOM 759 CA GLN A 45 85.814 10.145 2.479 1.00 0.00 C ATOM 760 C GLN A 45 87.033 9.479 1.831 1.00 0.00 C ATOM 761 O GLN A 45 86.959 8.872 0.783 1.00 0.00 O ATOM 762 CB GLN A 45 85.389 9.347 3.717 1.00 0.00 C ATOM 763 CG GLN A 45 86.495 9.397 4.780 1.00 0.00 C ATOM 764 CD GLN A 45 85.920 9.019 6.144 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.683 8.627 6.225 1.00 0.00 O flip ATOM 766 NE2 GLN A 45 86.605 9.082 7.145 1.00 0.00 N flip ATOM 0 H GLN A 45 84.705 9.604 0.725 1.00 0.00 H new ATOM 0 HA GLN A 45 86.094 11.157 2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.464 9.756 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 45 85.186 8.312 3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 45 87.300 8.713 4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.927 10.397 4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.575 9.390 7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.210 8.827 8.050 1.00 0.00 H new ATOM 775 N GLU A 46 88.155 9.611 2.484 1.00 0.00 N ATOM 776 CA GLU A 46 89.444 9.027 1.999 1.00 0.00 C ATOM 777 C GLU A 46 90.096 8.267 3.163 1.00 0.00 C ATOM 778 O GLU A 46 90.024 8.684 4.302 1.00 0.00 O ATOM 779 CB GLU A 46 90.370 10.164 1.529 1.00 0.00 C ATOM 780 CG GLU A 46 90.120 10.462 0.047 1.00 0.00 C ATOM 781 CD GLU A 46 91.064 11.573 -0.420 1.00 0.00 C ATOM 782 OE1 GLU A 46 92.224 11.277 -0.655 1.00 0.00 O ATOM 783 OE2 GLU A 46 90.611 12.700 -0.535 1.00 0.00 O ATOM 0 H GLU A 46 88.236 10.118 3.366 1.00 0.00 H new ATOM 0 HA GLU A 46 89.268 8.347 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 46 90.191 11.060 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.412 9.883 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 46 90.279 9.562 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 89.084 10.764 -0.104 1.00 0.00 H new ATOM 790 N TRP A 47 90.723 7.150 2.889 1.00 0.00 N ATOM 791 CA TRP A 47 91.372 6.352 3.976 1.00 0.00 C ATOM 792 C TRP A 47 92.708 5.808 3.478 1.00 0.00 C ATOM 793 O TRP A 47 92.902 5.617 2.299 1.00 0.00 O ATOM 794 CB TRP A 47 90.470 5.179 4.355 1.00 0.00 C ATOM 795 CG TRP A 47 89.275 5.672 5.106 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.142 6.147 4.538 1.00 0.00 C ATOM 797 CD2 TRP A 47 89.068 5.742 6.548 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.255 6.502 5.537 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.779 6.272 6.790 1.00 0.00 C ATOM 800 CE3 TRP A 47 89.863 5.401 7.657 1.00 0.00 C ATOM 801 CZ2 TRP A 47 87.295 6.458 8.083 1.00 0.00 C ATOM 802 CZ3 TRP A 47 89.379 5.587 8.962 1.00 0.00 C ATOM 803 CH2 TRP A 47 88.096 6.114 9.174 1.00 0.00 C ATOM 0 H TRP A 47 90.814 6.754 1.953 1.00 0.00 H new ATOM 0 HA TRP A 47 91.533 6.990 4.845 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.152 4.650 3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 47 91.024 4.466 4.966 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.960 6.234 3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 47 86.326 6.887 5.367 1.00 0.00 H new ATOM 0 HE3 TRP A 47 90.851 4.994 7.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 86.307 6.865 8.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 89.998 5.323 9.807 1.00 0.00 H new ATOM 0 HH2 TRP A 47 87.728 6.253 10.180 1.00 0.00 H new ATOM 814 N SER A 48 93.626 5.542 4.366 1.00 0.00 N ATOM 815 CA SER A 48 94.949 4.993 3.939 1.00 0.00 C ATOM 816 C SER A 48 94.865 3.466 3.863 1.00 0.00 C ATOM 817 O SER A 48 94.058 2.847 4.526 1.00 0.00 O ATOM 818 CB SER A 48 96.019 5.389 4.957 1.00 0.00 C ATOM 819 OG SER A 48 96.010 4.462 6.034 1.00 0.00 O ATOM 0 H SER A 48 93.519 5.681 5.371 1.00 0.00 H new ATOM 0 HA SER A 48 95.210 5.396 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 48 97.000 5.403 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 48 95.829 6.396 5.328 1.00 0.00 H new ATOM 0 HG SER A 48 96.893 4.045 6.114 1.00 0.00 H new ATOM 825 N LEU A 49 95.690 2.848 3.059 1.00 0.00 N ATOM 826 CA LEU A 49 95.649 1.362 2.951 1.00 0.00 C ATOM 827 C LEU A 49 96.447 0.757 4.116 1.00 0.00 C ATOM 828 O LEU A 49 96.313 -0.408 4.434 1.00 0.00 O ATOM 829 CB LEU A 49 96.267 0.937 1.594 1.00 0.00 C ATOM 830 CG LEU A 49 95.162 0.514 0.607 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.693 0.584 -0.830 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.718 -0.922 0.914 1.00 0.00 C ATOM 0 H LEU A 49 96.388 3.308 2.474 1.00 0.00 H new ATOM 0 HA LEU A 49 94.621 1.004 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.841 1.763 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.962 0.111 1.747 1.00 0.00 H new ATOM 0 HG LEU A 49 94.313 1.189 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.907 0.284 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 49 96.004 1.604 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.546 -0.087 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.936 -1.219 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.569 -1.595 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.332 -0.974 1.932 1.00 0.00 H new ATOM 844 N THR A 50 97.279 1.540 4.751 1.00 0.00 N ATOM 845 CA THR A 50 98.089 1.017 5.888 1.00 0.00 C ATOM 846 C THR A 50 97.304 1.164 7.194 1.00 0.00 C ATOM 847 O THR A 50 97.711 0.677 8.229 1.00 0.00 O ATOM 848 CB THR A 50 99.391 1.815 5.992 1.00 0.00 C ATOM 849 OG1 THR A 50 99.090 3.200 6.092 1.00 0.00 O ATOM 850 CG2 THR A 50 100.246 1.565 4.749 1.00 0.00 C ATOM 0 H THR A 50 97.432 2.524 4.529 1.00 0.00 H new ATOM 0 HA THR A 50 98.312 -0.036 5.716 1.00 0.00 H new ATOM 0 HB THR A 50 99.941 1.498 6.878 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.923 3.712 6.160 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.173 2.134 4.824 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.477 0.502 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.698 1.880 3.861 1.00 0.00 H new ATOM 858 N ASN A 51 96.183 1.837 7.159 1.00 0.00 N ATOM 859 CA ASN A 51 95.381 2.017 8.409 1.00 0.00 C ATOM 860 C ASN A 51 94.433 0.830 8.593 1.00 0.00 C ATOM 861 O ASN A 51 93.955 0.571 9.679 1.00 0.00 O ATOM 862 CB ASN A 51 94.574 3.319 8.322 1.00 0.00 C ATOM 863 CG ASN A 51 93.695 3.321 7.073 1.00 0.00 C ATOM 864 OD1 ASN A 51 93.673 4.288 6.349 1.00 0.00 O ATOM 865 ND2 ASN A 51 92.949 2.287 6.796 1.00 0.00 N ATOM 0 H ASN A 51 95.788 2.269 6.323 1.00 0.00 H new ATOM 0 HA ASN A 51 96.056 2.069 9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.953 3.429 9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 51 95.251 4.173 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.350 2.297 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.965 1.469 7.405 1.00 0.00 H new ATOM 872 N ILE A 52 94.157 0.108 7.542 1.00 0.00 N ATOM 873 CA ILE A 52 93.238 -1.061 7.663 1.00 0.00 C ATOM 874 C ILE A 52 93.900 -2.142 8.520 1.00 0.00 C ATOM 875 O ILE A 52 95.023 -2.538 8.278 1.00 0.00 O ATOM 876 CB ILE A 52 92.944 -1.625 6.271 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.440 -0.499 5.360 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.874 -2.714 6.378 1.00 0.00 C ATOM 879 CD1 ILE A 52 92.277 -1.023 3.931 1.00 0.00 C ATOM 0 H ILE A 52 94.527 0.276 6.606 1.00 0.00 H new ATOM 0 HA ILE A 52 92.306 -0.744 8.131 1.00 0.00 H new ATOM 0 HB ILE A 52 93.855 -2.051 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.487 -0.119 5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 52 93.142 0.334 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.664 -3.116 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.232 -3.514 7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.962 -2.288 6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.919 -0.219 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 52 93.238 -1.381 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.558 -1.842 3.924 1.00 0.00 H new ATOM 891 N LYS A 53 93.214 -2.622 9.526 1.00 0.00 N ATOM 892 CA LYS A 53 93.802 -3.677 10.406 1.00 0.00 C ATOM 893 C LYS A 53 93.402 -5.064 9.894 1.00 0.00 C ATOM 894 O LYS A 53 94.233 -5.931 9.712 1.00 0.00 O ATOM 895 CB LYS A 53 93.279 -3.495 11.835 1.00 0.00 C ATOM 896 CG LYS A 53 93.957 -4.507 12.763 1.00 0.00 C ATOM 897 CD LYS A 53 93.418 -4.347 14.188 1.00 0.00 C ATOM 898 CE LYS A 53 93.768 -5.593 15.006 1.00 0.00 C ATOM 899 NZ LYS A 53 95.245 -5.793 15.000 1.00 0.00 N ATOM 0 H LYS A 53 92.270 -2.328 9.776 1.00 0.00 H new ATOM 0 HA LYS A 53 94.888 -3.589 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.478 -2.480 12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.198 -3.633 11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.774 -5.521 12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.037 -4.356 12.754 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.847 -3.460 14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.338 -4.204 14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.410 -5.482 16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.270 -6.468 14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.509 -6.456 15.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.539 -6.181 14.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.719 -4.881 15.158 1.00 0.00 H new ATOM 913 N ARG A 54 92.134 -5.286 9.672 1.00 0.00 N ATOM 914 CA ARG A 54 91.685 -6.625 9.185 1.00 0.00 C ATOM 915 C ARG A 54 90.382 -6.478 8.406 1.00 0.00 C ATOM 916 O ARG A 54 89.822 -5.405 8.301 1.00 0.00 O ATOM 917 CB ARG A 54 91.432 -7.544 10.386 1.00 0.00 C ATOM 918 CG ARG A 54 90.572 -6.804 11.425 1.00 0.00 C ATOM 919 CD ARG A 54 89.822 -7.804 12.311 1.00 0.00 C ATOM 920 NE ARG A 54 89.408 -7.115 13.568 1.00 0.00 N ATOM 921 CZ ARG A 54 88.564 -7.687 14.382 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.090 -8.871 14.104 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.195 -7.076 15.474 1.00 0.00 N ATOM 0 H ARG A 54 91.391 -4.601 9.806 1.00 0.00 H new ATOM 0 HA ARG A 54 92.457 -7.048 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 54 90.927 -8.454 10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.379 -7.847 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.205 -6.166 12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.860 -6.152 10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 54 88.948 -8.191 11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.460 -8.657 12.541 1.00 0.00 H new ATOM 0 HE ARG A 54 89.786 -6.194 13.792 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.379 -9.349 13.251 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.430 -9.318 14.740 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.566 -6.151 15.691 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.535 -7.523 16.110 1.00 0.00 H new ATOM 937 N TRP A 55 89.886 -7.559 7.875 1.00 0.00 N ATOM 938 CA TRP A 55 88.606 -7.498 7.119 1.00 0.00 C ATOM 939 C TRP A 55 87.977 -8.882 7.070 1.00 0.00 C ATOM 940 O TRP A 55 88.570 -9.861 7.458 1.00 0.00 O ATOM 941 CB TRP A 55 88.854 -7.006 5.691 1.00 0.00 C ATOM 942 CG TRP A 55 89.934 -7.825 5.065 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.792 -9.098 4.632 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.313 -7.450 4.792 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.003 -9.534 4.121 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.971 -8.552 4.195 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.051 -6.274 5.007 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.314 -8.487 3.823 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.401 -6.204 4.634 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.033 -7.309 4.043 1.00 0.00 C ATOM 0 H TRP A 55 90.313 -8.484 7.932 1.00 0.00 H new ATOM 0 HA TRP A 55 87.934 -6.803 7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.939 -7.082 5.104 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.140 -5.954 5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.883 -9.680 4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.161 -10.466 3.737 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.575 -5.418 5.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.794 -9.341 3.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 93.958 -5.294 4.803 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.073 -7.249 3.759 1.00 0.00 H new ATOM 961 N ALA A 56 86.774 -8.966 6.590 1.00 0.00 N ATOM 962 CA ALA A 56 86.090 -10.285 6.492 1.00 0.00 C ATOM 963 C ALA A 56 85.192 -10.257 5.257 1.00 0.00 C ATOM 964 O ALA A 56 84.253 -9.491 5.182 1.00 0.00 O ATOM 965 CB ALA A 56 85.250 -10.522 7.747 1.00 0.00 C ATOM 0 H ALA A 56 86.227 -8.172 6.257 1.00 0.00 H new ATOM 0 HA ALA A 56 86.819 -11.091 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.750 -11.488 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 56 85.897 -10.514 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.503 -9.733 7.839 1.00 0.00 H new ATOM 971 N ALA A 57 85.486 -11.067 4.274 1.00 0.00 N ATOM 972 CA ALA A 57 84.665 -11.066 3.024 1.00 0.00 C ATOM 973 C ALA A 57 83.654 -12.209 3.052 1.00 0.00 C ATOM 974 O ALA A 57 84.014 -13.370 3.074 1.00 0.00 O ATOM 975 CB ALA A 57 85.595 -11.239 1.821 1.00 0.00 C ATOM 0 H ALA A 57 86.260 -11.731 4.282 1.00 0.00 H new ATOM 0 HA ALA A 57 84.124 -10.122 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.007 -11.240 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.310 -10.417 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.131 -12.184 1.909 1.00 0.00 H new ATOM 981 N SER A 58 82.387 -11.885 3.029 1.00 0.00 N ATOM 982 CA SER A 58 81.334 -12.935 3.031 1.00 0.00 C ATOM 983 C SER A 58 80.845 -13.114 1.582 1.00 0.00 C ATOM 984 O SER A 58 81.059 -12.245 0.761 1.00 0.00 O ATOM 985 CB SER A 58 80.178 -12.484 3.942 1.00 0.00 C ATOM 986 OG SER A 58 80.210 -13.245 5.143 1.00 0.00 O ATOM 0 H SER A 58 82.037 -10.927 3.009 1.00 0.00 H new ATOM 0 HA SER A 58 81.721 -13.882 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.269 -11.421 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.223 -12.622 3.435 1.00 0.00 H new ATOM 0 HG SER A 58 79.477 -12.962 5.729 1.00 0.00 H new ATOM 992 N PRO A 59 80.201 -14.222 1.300 1.00 0.00 N ATOM 993 CA PRO A 59 79.688 -14.485 -0.057 1.00 0.00 C ATOM 994 C PRO A 59 78.697 -13.386 -0.475 1.00 0.00 C ATOM 995 O PRO A 59 78.094 -13.458 -1.527 1.00 0.00 O ATOM 996 CB PRO A 59 78.983 -15.860 0.053 1.00 0.00 C ATOM 997 CG PRO A 59 78.964 -16.245 1.559 1.00 0.00 C ATOM 998 CD PRO A 59 79.930 -15.292 2.285 1.00 0.00 C ATOM 0 HA PRO A 59 80.475 -14.491 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.969 -15.806 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.514 -16.613 -0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 59 77.957 -16.156 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.272 -17.282 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.483 -14.891 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.847 -15.803 2.579 1.00 0.00 H new ATOM 1006 N LYS A 60 78.500 -12.382 0.344 1.00 0.00 N ATOM 1007 CA LYS A 60 77.522 -11.314 -0.021 1.00 0.00 C ATOM 1008 C LYS A 60 77.929 -9.963 0.569 1.00 0.00 C ATOM 1009 O LYS A 60 77.554 -8.930 0.056 1.00 0.00 O ATOM 1010 CB LYS A 60 76.163 -11.697 0.552 1.00 0.00 C ATOM 1011 CG LYS A 60 76.263 -11.793 2.078 1.00 0.00 C ATOM 1012 CD LYS A 60 75.103 -12.626 2.619 1.00 0.00 C ATOM 1013 CE LYS A 60 75.005 -12.449 4.135 1.00 0.00 C ATOM 1014 NZ LYS A 60 74.433 -11.108 4.443 1.00 0.00 N ATOM 0 H LYS A 60 78.970 -12.257 1.241 1.00 0.00 H new ATOM 0 HA LYS A 60 77.491 -11.224 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.416 -10.955 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.837 -12.651 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.213 -12.247 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.243 -10.795 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.170 -12.319 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.253 -13.678 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 60 74.378 -13.231 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 60 75.991 -12.548 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.054 -11.107 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 75.177 -10.386 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 73.668 -10.894 3.771 1.00 0.00 H new ATOM 1028 N SER A 61 78.657 -9.959 1.657 1.00 0.00 N ATOM 1029 CA SER A 61 79.053 -8.659 2.305 1.00 0.00 C ATOM 1030 C SER A 61 80.569 -8.570 2.503 1.00 0.00 C ATOM 1031 O SER A 61 81.301 -9.519 2.302 1.00 0.00 O ATOM 1032 CB SER A 61 78.370 -8.559 3.668 1.00 0.00 C ATOM 1033 OG SER A 61 78.708 -9.699 4.447 1.00 0.00 O ATOM 0 H SER A 61 78.997 -10.797 2.129 1.00 0.00 H new ATOM 0 HA SER A 61 78.744 -7.842 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.684 -7.649 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.289 -8.497 3.542 1.00 0.00 H new ATOM 0 HG SER A 61 78.273 -9.637 5.323 1.00 0.00 H new ATOM 1039 N PHE A 62 81.028 -7.412 2.908 1.00 0.00 N ATOM 1040 CA PHE A 62 82.488 -7.188 3.148 1.00 0.00 C ATOM 1041 C PHE A 62 82.648 -6.287 4.375 1.00 0.00 C ATOM 1042 O PHE A 62 81.877 -5.369 4.578 1.00 0.00 O ATOM 1043 CB PHE A 62 83.116 -6.501 1.934 1.00 0.00 C ATOM 1044 CG PHE A 62 84.562 -6.171 2.234 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.514 -7.196 2.298 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.951 -4.843 2.453 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.852 -6.895 2.578 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.290 -4.542 2.733 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.240 -5.568 2.796 1.00 0.00 C ATOM 0 H PHE A 62 80.441 -6.597 3.086 1.00 0.00 H new ATOM 0 HA PHE A 62 82.984 -8.145 3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.054 -7.152 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.567 -5.591 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.215 -8.220 2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.218 -4.051 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.585 -7.687 2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.590 -3.518 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.272 -5.336 3.013 1.00 0.00 H new ATOM 1059 N THR A 63 83.630 -6.545 5.205 1.00 0.00 N ATOM 1060 CA THR A 63 83.826 -5.707 6.434 1.00 0.00 C ATOM 1061 C THR A 63 85.302 -5.343 6.585 1.00 0.00 C ATOM 1062 O THR A 63 86.176 -6.120 6.271 1.00 0.00 O ATOM 1063 CB THR A 63 83.363 -6.508 7.660 1.00 0.00 C ATOM 1064 OG1 THR A 63 81.948 -6.624 7.638 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.798 -5.804 8.950 1.00 0.00 C ATOM 0 H THR A 63 84.306 -7.300 5.086 1.00 0.00 H new ATOM 0 HA THR A 63 83.244 -4.789 6.349 1.00 0.00 H new ATOM 0 HB THR A 63 83.816 -7.499 7.629 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.650 -7.136 8.419 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.463 -6.383 9.811 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.885 -5.720 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.356 -4.808 8.988 1.00 0.00 H new ATOM 1073 N LEU A 64 85.579 -4.163 7.087 1.00 0.00 N ATOM 1074 CA LEU A 64 86.998 -3.732 7.293 1.00 0.00 C ATOM 1075 C LEU A 64 87.115 -3.067 8.662 1.00 0.00 C ATOM 1076 O LEU A 64 86.143 -2.590 9.213 1.00 0.00 O ATOM 1077 CB LEU A 64 87.433 -2.760 6.186 1.00 0.00 C ATOM 1078 CG LEU A 64 86.481 -1.537 6.116 1.00 0.00 C ATOM 1079 CD1 LEU A 64 87.045 -0.359 6.932 1.00 0.00 C ATOM 1080 CD2 LEU A 64 86.316 -1.090 4.653 1.00 0.00 C ATOM 0 H LEU A 64 84.878 -3.476 7.365 1.00 0.00 H new ATOM 0 HA LEU A 64 87.653 -4.602 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.452 -2.422 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.440 -3.276 5.226 1.00 0.00 H new ATOM 0 HG LEU A 64 85.517 -1.832 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.361 0.488 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.156 -0.659 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 64 88.017 -0.071 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 64 85.647 -0.231 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 64 87.288 -0.814 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.896 -1.908 4.068 1.00 0.00 H new ATOM 1092 N ASP A 65 88.297 -3.054 9.225 1.00 0.00 N ATOM 1093 CA ASP A 65 88.493 -2.443 10.582 1.00 0.00 C ATOM 1094 C ASP A 65 89.667 -1.467 10.549 1.00 0.00 C ATOM 1095 O ASP A 65 90.752 -1.796 10.111 1.00 0.00 O ATOM 1096 CB ASP A 65 88.791 -3.552 11.598 1.00 0.00 C ATOM 1097 CG ASP A 65 87.794 -4.701 11.418 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.551 -5.080 10.285 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.295 -5.188 12.419 1.00 0.00 O ATOM 0 H ASP A 65 89.141 -3.442 8.803 1.00 0.00 H new ATOM 0 HA ASP A 65 87.587 -1.909 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.809 -3.917 11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.725 -3.157 12.612 1.00 0.00 H new ATOM 1104 N PHE A 66 89.459 -0.269 11.023 1.00 0.00 N ATOM 1105 CA PHE A 66 90.558 0.738 11.040 1.00 0.00 C ATOM 1106 C PHE A 66 91.278 0.652 12.381 1.00 0.00 C ATOM 1107 O PHE A 66 92.267 1.318 12.616 1.00 0.00 O ATOM 1108 CB PHE A 66 89.961 2.137 10.877 1.00 0.00 C ATOM 1109 CG PHE A 66 89.368 2.272 9.493 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.204 2.230 8.371 1.00 0.00 C ATOM 1111 CD2 PHE A 66 87.985 2.434 9.329 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.660 2.349 7.087 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.442 2.554 8.045 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.279 2.511 6.924 1.00 0.00 C ATOM 0 H PHE A 66 88.570 0.057 11.401 1.00 0.00 H new ATOM 0 HA PHE A 66 91.257 0.543 10.227 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.193 2.307 11.632 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.731 2.893 11.030 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.269 2.106 8.496 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.339 2.466 10.194 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.306 2.316 6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.377 2.680 7.919 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.859 2.603 5.933 1.00 0.00 H new ATOM 1124 N GLY A 67 90.780 -0.163 13.267 1.00 0.00 N ATOM 1125 CA GLY A 67 91.421 -0.297 14.603 1.00 0.00 C ATOM 1126 C GLY A 67 90.977 0.866 15.488 1.00 0.00 C ATOM 1127 O GLY A 67 91.302 0.931 16.657 1.00 0.00 O ATOM 0 H GLY A 67 89.954 -0.744 13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.142 -1.246 15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.506 -0.299 14.501 1.00 0.00 H new ATOM 1131 N ASP A 68 90.233 1.789 14.938 1.00 0.00 N ATOM 1132 CA ASP A 68 89.764 2.950 15.744 1.00 0.00 C ATOM 1133 C ASP A 68 88.485 2.566 16.494 1.00 0.00 C ATOM 1134 O ASP A 68 87.389 2.717 15.992 1.00 0.00 O ATOM 1135 CB ASP A 68 89.490 4.133 14.815 1.00 0.00 C ATOM 1136 CG ASP A 68 90.564 4.186 13.727 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.612 3.594 13.927 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.320 4.818 12.712 1.00 0.00 O ATOM 0 H ASP A 68 89.930 1.787 13.964 1.00 0.00 H new ATOM 0 HA ASP A 68 90.530 3.231 16.466 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.503 4.033 14.363 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.487 5.063 15.384 1.00 0.00 H new ATOM 1143 N TYR A 69 88.623 2.067 17.694 1.00 0.00 N ATOM 1144 CA TYR A 69 87.431 1.664 18.496 1.00 0.00 C ATOM 1145 C TYR A 69 86.333 2.725 18.377 1.00 0.00 C ATOM 1146 O TYR A 69 85.168 2.416 18.225 1.00 0.00 O ATOM 1147 CB TYR A 69 87.847 1.527 19.963 1.00 0.00 C ATOM 1148 CG TYR A 69 86.629 1.269 20.817 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.079 -0.014 20.877 1.00 0.00 C ATOM 1150 CD2 TYR A 69 86.053 2.314 21.551 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.952 -0.257 21.671 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.927 2.072 22.347 1.00 0.00 C ATOM 1153 CZ TYR A 69 84.377 0.786 22.407 1.00 0.00 C ATOM 1154 OH TYR A 69 83.268 0.547 23.192 1.00 0.00 O ATOM 0 H TYR A 69 89.520 1.920 18.157 1.00 0.00 H new ATOM 0 HA TYR A 69 87.047 0.715 18.123 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.560 0.710 20.074 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.349 2.436 20.295 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.524 -0.819 20.310 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.477 3.306 21.503 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.526 -1.249 21.716 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.483 2.877 22.914 1.00 0.00 H new ATOM 0 HH TYR A 69 82.997 1.377 23.636 1.00 0.00 H new ATOM 1164 N GLN A 70 86.701 3.969 18.456 1.00 0.00 N ATOM 1165 CA GLN A 70 85.691 5.060 18.363 1.00 0.00 C ATOM 1166 C GLN A 70 84.928 4.970 17.040 1.00 0.00 C ATOM 1167 O GLN A 70 83.714 4.962 17.014 1.00 0.00 O ATOM 1168 CB GLN A 70 86.394 6.419 18.455 1.00 0.00 C ATOM 1169 CG GLN A 70 87.502 6.523 17.404 1.00 0.00 C ATOM 1170 CD GLN A 70 88.472 7.645 17.785 1.00 0.00 C ATOM 1171 OE1 GLN A 70 89.671 7.449 17.798 1.00 0.00 O ATOM 1172 NE2 GLN A 70 87.999 8.820 18.097 1.00 0.00 N ATOM 0 H GLN A 70 87.664 4.282 18.582 1.00 0.00 H new ATOM 0 HA GLN A 70 84.984 4.954 19.186 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.670 7.220 18.308 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.817 6.550 19.451 1.00 0.00 H new ATOM 0 HG2 GLN A 70 88.037 5.576 17.331 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.069 6.721 16.424 1.00 0.00 H new ATOM 0 HE21 GLN A 70 86.992 8.984 18.086 1.00 0.00 H new ATOM 0 HE22 GLN A 70 88.636 9.575 18.352 1.00 0.00 H new ATOM 1181 N ASP A 71 85.626 4.915 15.942 1.00 0.00 N ATOM 1182 CA ASP A 71 84.937 4.842 14.627 1.00 0.00 C ATOM 1183 C ASP A 71 84.181 3.518 14.516 1.00 0.00 C ATOM 1184 O ASP A 71 83.089 3.455 13.986 1.00 0.00 O ATOM 1185 CB ASP A 71 85.977 4.942 13.510 1.00 0.00 C ATOM 1186 CG ASP A 71 85.308 5.403 12.212 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.484 6.300 12.280 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.631 4.852 11.173 1.00 0.00 O ATOM 0 H ASP A 71 86.645 4.917 15.899 1.00 0.00 H new ATOM 0 HA ASP A 71 84.227 5.664 14.538 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.761 5.644 13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.455 3.974 13.359 1.00 0.00 H new ATOM 1193 N GLY A 72 84.757 2.460 15.011 1.00 0.00 N ATOM 1194 CA GLY A 72 84.080 1.135 14.937 1.00 0.00 C ATOM 1195 C GLY A 72 84.378 0.482 13.588 1.00 0.00 C ATOM 1196 O GLY A 72 85.147 0.991 12.796 1.00 0.00 O ATOM 0 H GLY A 72 85.670 2.455 15.465 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.425 0.493 15.747 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.004 1.257 15.064 1.00 0.00 H new ATOM 1200 N TYR A 73 83.778 -0.645 13.321 1.00 0.00 N ATOM 1201 CA TYR A 73 84.027 -1.339 12.026 1.00 0.00 C ATOM 1202 C TYR A 73 83.137 -0.743 10.933 1.00 0.00 C ATOM 1203 O TYR A 73 82.205 -0.012 11.202 1.00 0.00 O ATOM 1204 CB TYR A 73 83.710 -2.828 12.179 1.00 0.00 C ATOM 1205 CG TYR A 73 84.405 -3.368 13.407 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.799 -3.330 13.486 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.659 -3.906 14.464 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.453 -3.829 14.618 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.311 -4.405 15.598 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.709 -4.366 15.675 1.00 0.00 C ATOM 1211 OH TYR A 73 86.353 -4.857 16.793 1.00 0.00 O ATOM 0 H TYR A 73 83.124 -1.117 13.946 1.00 0.00 H new ATOM 0 HA TYR A 73 85.073 -1.210 11.747 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.633 -2.975 12.264 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.037 -3.373 11.294 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.374 -2.914 12.671 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.581 -3.936 14.404 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.531 -3.800 14.676 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.736 -4.820 16.413 1.00 0.00 H new ATOM 0 HH TYR A 73 85.690 -5.192 17.432 1.00 0.00 H new ATOM 1221 N TYR A 74 83.425 -1.063 9.698 1.00 0.00 N ATOM 1222 CA TYR A 74 82.622 -0.545 8.553 1.00 0.00 C ATOM 1223 C TYR A 74 82.277 -1.715 7.637 1.00 0.00 C ATOM 1224 O TYR A 74 83.129 -2.259 6.963 1.00 0.00 O ATOM 1225 CB TYR A 74 83.452 0.473 7.776 1.00 0.00 C ATOM 1226 CG TYR A 74 82.680 0.958 6.570 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.725 1.973 6.709 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.925 0.396 5.310 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.017 2.425 5.589 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.215 0.848 4.191 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.262 1.863 4.330 1.00 0.00 C ATOM 1232 OH TYR A 74 80.563 2.311 3.227 1.00 0.00 O ATOM 0 H TYR A 74 84.198 -1.673 9.431 1.00 0.00 H new ATOM 0 HA TYR A 74 81.711 -0.069 8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.704 1.316 8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.392 0.022 7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.535 2.407 7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.662 -0.386 5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.281 3.208 5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.403 0.413 3.220 1.00 0.00 H new ATOM 0 HH TYR A 74 79.649 2.545 3.492 1.00 0.00 H new ATOM 1242 N SER A 75 81.035 -2.112 7.622 1.00 0.00 N ATOM 1243 CA SER A 75 80.603 -3.261 6.767 1.00 0.00 C ATOM 1244 C SER A 75 79.433 -2.854 5.877 1.00 0.00 C ATOM 1245 O SER A 75 78.597 -2.053 6.245 1.00 0.00 O ATOM 1246 CB SER A 75 80.174 -4.421 7.664 1.00 0.00 C ATOM 1247 OG SER A 75 79.951 -5.576 6.864 1.00 0.00 O ATOM 0 H SER A 75 80.289 -1.686 8.172 1.00 0.00 H new ATOM 0 HA SER A 75 81.438 -3.564 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 75 80.943 -4.624 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.266 -4.159 8.207 1.00 0.00 H new ATOM 0 HG SER A 75 80.733 -6.165 6.914 1.00 0.00 H new ATOM 1253 N VAL A 76 79.375 -3.417 4.702 1.00 0.00 N ATOM 1254 CA VAL A 76 78.271 -3.096 3.753 1.00 0.00 C ATOM 1255 C VAL A 76 77.981 -4.333 2.902 1.00 0.00 C ATOM 1256 O VAL A 76 78.710 -5.304 2.938 1.00 0.00 O ATOM 1257 CB VAL A 76 78.696 -1.940 2.842 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.856 -0.665 3.671 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.033 -2.279 2.180 1.00 0.00 C ATOM 0 H VAL A 76 80.054 -4.094 4.354 1.00 0.00 H new ATOM 0 HA VAL A 76 77.379 -2.805 4.307 1.00 0.00 H new ATOM 0 HB VAL A 76 77.935 -1.785 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.158 0.156 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.907 -0.420 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.617 -0.821 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.337 -1.457 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.791 -2.434 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.926 -3.188 1.588 1.00 0.00 H new ATOM 1269 N GLN A 77 76.925 -4.312 2.138 1.00 0.00 N ATOM 1270 CA GLN A 77 76.598 -5.491 1.295 1.00 0.00 C ATOM 1271 C GLN A 77 77.480 -5.477 0.042 1.00 0.00 C ATOM 1272 O GLN A 77 77.666 -4.454 -0.584 1.00 0.00 O ATOM 1273 CB GLN A 77 75.119 -5.420 0.890 1.00 0.00 C ATOM 1274 CG GLN A 77 74.234 -5.951 2.030 1.00 0.00 C ATOM 1275 CD GLN A 77 74.147 -7.480 1.959 1.00 0.00 C ATOM 1276 OE1 GLN A 77 74.486 -8.163 2.905 1.00 0.00 O ATOM 1277 NE2 GLN A 77 73.704 -8.048 0.871 1.00 0.00 N ATOM 0 H GLN A 77 76.276 -3.529 2.062 1.00 0.00 H new ATOM 0 HA GLN A 77 76.780 -6.410 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.847 -4.391 0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.953 -6.006 -0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.645 -5.646 2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.236 -5.518 1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 77 73.419 -7.475 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 77 73.642 -9.065 0.815 1.00 0.00 H new ATOM 1286 N THR A 78 78.015 -6.612 -0.329 1.00 0.00 N ATOM 1287 CA THR A 78 78.881 -6.681 -1.540 1.00 0.00 C ATOM 1288 C THR A 78 78.776 -8.065 -2.168 1.00 0.00 C ATOM 1289 O THR A 78 79.229 -9.047 -1.613 1.00 0.00 O ATOM 1290 CB THR A 78 80.342 -6.447 -1.162 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.805 -7.543 -0.387 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.474 -5.161 -0.354 1.00 0.00 C ATOM 0 H THR A 78 77.887 -7.498 0.159 1.00 0.00 H new ATOM 0 HA THR A 78 78.549 -5.914 -2.240 1.00 0.00 H new ATOM 0 HB THR A 78 80.938 -6.358 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.199 -8.304 -0.503 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.520 -5.003 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.119 -4.319 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.878 -5.240 0.555 1.00 0.00 H new ATOM 1300 N THR A 79 78.208 -8.148 -3.328 1.00 0.00 N ATOM 1301 CA THR A 79 78.102 -9.466 -4.003 1.00 0.00 C ATOM 1302 C THR A 79 79.512 -9.940 -4.345 1.00 0.00 C ATOM 1303 O THR A 79 79.766 -11.117 -4.507 1.00 0.00 O ATOM 1304 CB THR A 79 77.292 -9.312 -5.289 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.075 -8.638 -5.002 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.990 -10.690 -5.878 1.00 0.00 C ATOM 0 H THR A 79 77.811 -7.361 -3.842 1.00 0.00 H new ATOM 0 HA THR A 79 77.607 -10.187 -3.353 1.00 0.00 H new ATOM 0 HB THR A 79 77.867 -8.733 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.555 -8.537 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.412 -10.575 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.925 -11.204 -6.100 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.417 -11.275 -5.159 1.00 0.00 H new ATOM 1314 N GLU A 80 80.430 -9.011 -4.456 1.00 0.00 N ATOM 1315 CA GLU A 80 81.844 -9.353 -4.790 1.00 0.00 C ATOM 1316 C GLU A 80 82.749 -9.000 -3.610 1.00 0.00 C ATOM 1317 O GLU A 80 83.896 -8.639 -3.780 1.00 0.00 O ATOM 1318 CB GLU A 80 82.275 -8.550 -6.022 1.00 0.00 C ATOM 1319 CG GLU A 80 81.122 -8.495 -7.030 1.00 0.00 C ATOM 1320 CD GLU A 80 80.097 -7.445 -6.591 1.00 0.00 C ATOM 1321 OE1 GLU A 80 80.295 -6.854 -5.542 1.00 0.00 O ATOM 1322 OE2 GLU A 80 79.133 -7.250 -7.313 1.00 0.00 O ATOM 0 H GLU A 80 80.254 -8.015 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 80 81.924 -10.420 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.563 -7.541 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.150 -9.010 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 80 81.505 -8.250 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.645 -9.472 -7.105 1.00 0.00 H new ATOM 1329 N GLY A 81 82.243 -9.105 -2.416 1.00 0.00 N ATOM 1330 CA GLY A 81 83.076 -8.777 -1.223 1.00 0.00 C ATOM 1331 C GLY A 81 84.417 -9.503 -1.332 1.00 0.00 C ATOM 1332 O GLY A 81 85.372 -9.173 -0.658 1.00 0.00 O ATOM 0 H GLY A 81 81.289 -9.403 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.236 -7.701 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.560 -9.076 -0.311 1.00 0.00 H new ATOM 1336 N GLU A 82 84.490 -10.489 -2.181 1.00 0.00 N ATOM 1337 CA GLU A 82 85.762 -11.243 -2.348 1.00 0.00 C ATOM 1338 C GLU A 82 86.730 -10.408 -3.186 1.00 0.00 C ATOM 1339 O GLU A 82 87.822 -10.086 -2.762 1.00 0.00 O ATOM 1340 CB GLU A 82 85.457 -12.571 -3.059 1.00 0.00 C ATOM 1341 CG GLU A 82 86.741 -13.176 -3.625 1.00 0.00 C ATOM 1342 CD GLU A 82 86.530 -14.663 -3.925 1.00 0.00 C ATOM 1343 OE1 GLU A 82 85.696 -14.965 -4.762 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.207 -15.472 -3.313 1.00 0.00 O ATOM 0 H GLU A 82 83.719 -10.806 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 82 86.215 -11.447 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 82 84.996 -13.268 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.740 -12.405 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.030 -12.650 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.556 -13.052 -2.912 1.00 0.00 H new ATOM 1351 N GLN A 83 86.329 -10.053 -4.370 1.00 0.00 N ATOM 1352 CA GLN A 83 87.214 -9.233 -5.242 1.00 0.00 C ATOM 1353 C GLN A 83 87.666 -8.016 -4.457 1.00 0.00 C ATOM 1354 O GLN A 83 88.834 -7.683 -4.411 1.00 0.00 O ATOM 1355 CB GLN A 83 86.448 -8.778 -6.484 1.00 0.00 C ATOM 1356 CG GLN A 83 85.714 -9.960 -7.105 1.00 0.00 C ATOM 1357 CD GLN A 83 84.908 -9.487 -8.311 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.317 -8.590 -9.022 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.770 -10.061 -8.569 1.00 0.00 N ATOM 0 H GLN A 83 85.424 -10.295 -4.775 1.00 0.00 H new ATOM 0 HA GLN A 83 88.074 -9.825 -5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.736 -7.997 -6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.138 -8.346 -7.209 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.428 -10.725 -7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.052 -10.417 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.431 -10.813 -7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.217 -9.759 -9.371 1.00 0.00 H new ATOM 1368 N ILE A 84 86.746 -7.364 -3.817 1.00 0.00 N ATOM 1369 CA ILE A 84 87.114 -6.180 -3.004 1.00 0.00 C ATOM 1370 C ILE A 84 88.181 -6.619 -2.005 1.00 0.00 C ATOM 1371 O ILE A 84 89.046 -5.859 -1.621 1.00 0.00 O ATOM 1372 CB ILE A 84 85.878 -5.672 -2.258 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.750 -5.422 -3.263 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.213 -4.368 -1.530 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.537 -4.837 -2.540 1.00 0.00 C ATOM 0 H ILE A 84 85.753 -7.599 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 84 87.494 -5.377 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 84 85.562 -6.418 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.088 -4.737 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.476 -6.354 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.330 -4.010 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.017 -4.546 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.530 -3.618 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.736 -4.660 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.194 -5.538 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.815 -3.895 -2.067 1.00 0.00 H new ATOM 1387 N ALA A 85 88.125 -7.859 -1.599 1.00 0.00 N ATOM 1388 CA ALA A 85 89.133 -8.385 -0.638 1.00 0.00 C ATOM 1389 C ALA A 85 90.375 -8.827 -1.412 1.00 0.00 C ATOM 1390 O ALA A 85 91.482 -8.777 -0.914 1.00 0.00 O ATOM 1391 CB ALA A 85 88.537 -9.576 0.113 1.00 0.00 C ATOM 0 H ALA A 85 87.419 -8.533 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 85 89.409 -7.611 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.271 -9.966 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.647 -9.256 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.268 -10.357 -0.598 1.00 0.00 H new ATOM 1397 N GLN A 86 90.196 -9.250 -2.635 1.00 0.00 N ATOM 1398 CA GLN A 86 91.360 -9.684 -3.450 1.00 0.00 C ATOM 1399 C GLN A 86 92.038 -8.442 -4.011 1.00 0.00 C ATOM 1400 O GLN A 86 93.247 -8.348 -4.076 1.00 0.00 O ATOM 1401 CB GLN A 86 90.872 -10.571 -4.593 1.00 0.00 C ATOM 1402 CG GLN A 86 92.048 -11.339 -5.188 1.00 0.00 C ATOM 1403 CD GLN A 86 91.645 -11.941 -6.531 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.656 -11.548 -7.117 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.377 -12.887 -7.048 1.00 0.00 N ATOM 0 H GLN A 86 89.292 -9.313 -3.102 1.00 0.00 H new ATOM 0 HA GLN A 86 92.065 -10.249 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.118 -11.268 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.397 -9.961 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.901 -10.673 -5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.362 -12.128 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.207 -13.216 -6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.120 -13.298 -7.945 1.00 0.00 H new ATOM 1414 N LEU A 87 91.255 -7.479 -4.394 1.00 0.00 N ATOM 1415 CA LEU A 87 91.829 -6.223 -4.927 1.00 0.00 C ATOM 1416 C LEU A 87 92.526 -5.516 -3.774 1.00 0.00 C ATOM 1417 O LEU A 87 93.606 -4.976 -3.908 1.00 0.00 O ATOM 1418 CB LEU A 87 90.698 -5.346 -5.475 1.00 0.00 C ATOM 1419 CG LEU A 87 91.244 -3.976 -5.891 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.392 -4.150 -6.900 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.114 -3.166 -6.532 1.00 0.00 C ATOM 0 H LEU A 87 90.236 -7.510 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 87 92.536 -6.423 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.231 -5.834 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.924 -5.222 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 87 91.624 -3.454 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.773 -3.171 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.193 -4.731 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.024 -4.672 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.492 -2.189 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.739 -3.695 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.305 -3.037 -5.813 1.00 0.00 H new ATOM 1433 N ILE A 88 91.907 -5.544 -2.632 1.00 0.00 N ATOM 1434 CA ILE A 88 92.503 -4.910 -1.432 1.00 0.00 C ATOM 1435 C ILE A 88 93.752 -5.703 -1.052 1.00 0.00 C ATOM 1436 O ILE A 88 94.852 -5.189 -1.033 1.00 0.00 O ATOM 1437 CB ILE A 88 91.471 -4.963 -0.291 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.391 -3.875 -0.504 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.162 -4.772 1.071 1.00 0.00 C ATOM 1440 CD1 ILE A 88 90.839 -2.534 0.091 1.00 0.00 C ATOM 0 H ILE A 88 91.001 -5.986 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 88 92.773 -3.871 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 88 90.992 -5.942 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.194 -3.757 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 88 89.456 -4.189 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.417 -4.812 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.896 -5.564 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.663 -3.804 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 88 90.063 -1.786 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 88 91.012 -2.650 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 88 91.761 -2.211 -0.393 1.00 0.00 H new ATOM 1452 N ALA A 89 93.583 -6.963 -0.769 1.00 0.00 N ATOM 1453 CA ALA A 89 94.751 -7.809 -0.407 1.00 0.00 C ATOM 1454 C ALA A 89 95.790 -7.697 -1.520 1.00 0.00 C ATOM 1455 O ALA A 89 96.942 -8.043 -1.353 1.00 0.00 O ATOM 1456 CB ALA A 89 94.305 -9.265 -0.269 1.00 0.00 C ATOM 0 H ALA A 89 92.684 -7.444 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 89 95.177 -7.476 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.162 -9.884 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.547 -9.341 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.888 -9.609 -1.215 1.00 0.00 H new ATOM 1462 N GLY A 90 95.376 -7.223 -2.664 1.00 0.00 N ATOM 1463 CA GLY A 90 96.317 -7.092 -3.811 1.00 0.00 C ATOM 1464 C GLY A 90 97.096 -5.778 -3.719 1.00 0.00 C ATOM 1465 O GLY A 90 98.271 -5.733 -4.014 1.00 0.00 O ATOM 0 H GLY A 90 94.421 -6.919 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.011 -7.933 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 90 95.763 -7.128 -4.749 1.00 0.00 H new ATOM 1469 N TYR A 91 96.467 -4.704 -3.322 1.00 0.00 N ATOM 1470 CA TYR A 91 97.212 -3.415 -3.236 1.00 0.00 C ATOM 1471 C TYR A 91 98.112 -3.434 -2.001 1.00 0.00 C ATOM 1472 O TYR A 91 99.184 -2.864 -1.991 1.00 0.00 O ATOM 1473 CB TYR A 91 96.231 -2.236 -3.115 1.00 0.00 C ATOM 1474 CG TYR A 91 95.608 -1.894 -4.460 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.415 -1.570 -5.565 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.212 -1.876 -4.594 1.00 0.00 C ATOM 1477 CE1 TYR A 91 95.825 -1.239 -6.791 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.627 -1.542 -5.819 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.432 -1.227 -6.918 1.00 0.00 C ATOM 1480 OH TYR A 91 93.852 -0.897 -8.125 1.00 0.00 O ATOM 0 H TYR A 91 95.483 -4.663 -3.057 1.00 0.00 H new ATOM 0 HA TYR A 91 97.810 -3.295 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.446 -2.485 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.754 -1.364 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.491 -1.576 -5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.587 -2.121 -3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.446 -0.993 -7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.552 -1.527 -5.917 1.00 0.00 H new ATOM 0 HH TYR A 91 92.876 -0.938 -8.041 1.00 0.00 H new ATOM 1490 N ILE A 92 97.676 -4.072 -0.957 1.00 0.00 N ATOM 1491 CA ILE A 92 98.491 -4.114 0.284 1.00 0.00 C ATOM 1492 C ILE A 92 99.792 -4.878 0.033 1.00 0.00 C ATOM 1493 O ILE A 92 100.789 -4.660 0.692 1.00 0.00 O ATOM 1494 CB ILE A 92 97.692 -4.809 1.380 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.382 -4.043 1.595 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.510 -4.822 2.675 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.469 -4.822 2.544 1.00 0.00 C ATOM 0 H ILE A 92 96.786 -4.569 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 92 98.735 -3.097 0.592 1.00 0.00 H new ATOM 0 HB ILE A 92 97.471 -5.837 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.592 -3.056 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 92 95.880 -3.889 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 92 97.940 -5.319 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.444 -5.359 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.728 -3.798 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.541 -4.270 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.246 -5.799 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 92 95.969 -4.953 3.504 1.00 0.00 H new ATOM 1509 N ASP A 93 99.788 -5.775 -0.912 1.00 0.00 N ATOM 1510 CA ASP A 93 101.018 -6.564 -1.208 1.00 0.00 C ATOM 1511 C ASP A 93 101.924 -5.780 -2.161 1.00 0.00 C ATOM 1512 O ASP A 93 103.108 -6.035 -2.257 1.00 0.00 O ATOM 1513 CB ASP A 93 100.616 -7.887 -1.864 1.00 0.00 C ATOM 1514 CG ASP A 93 100.053 -8.837 -0.804 1.00 0.00 C ATOM 1515 OD1 ASP A 93 99.577 -8.350 0.208 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.107 -10.036 -1.024 1.00 0.00 O ATOM 0 H ASP A 93 98.982 -5.998 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 93 101.557 -6.756 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 93 99.871 -7.708 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 93 101.480 -8.340 -2.351 1.00 0.00 H new ATOM 1521 N ILE A 94 101.373 -4.841 -2.878 1.00 0.00 N ATOM 1522 CA ILE A 94 102.192 -4.051 -3.843 1.00 0.00 C ATOM 1523 C ILE A 94 102.846 -2.864 -3.138 1.00 0.00 C ATOM 1524 O ILE A 94 103.865 -2.363 -3.567 1.00 0.00 O ATOM 1525 CB ILE A 94 101.291 -3.545 -4.967 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.737 -4.744 -5.741 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.105 -2.659 -5.912 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.629 -4.279 -6.687 1.00 0.00 C ATOM 0 H ILE A 94 100.387 -4.585 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 94 102.975 -4.689 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 94 100.468 -2.966 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.535 -5.223 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.347 -5.489 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.463 -2.297 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.507 -1.810 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 94 102.926 -3.237 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.237 -5.135 -7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 94 98.827 -3.820 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.033 -3.551 -7.390 1.00 0.00 H new ATOM 1540 N ILE A 95 102.273 -2.408 -2.063 1.00 0.00 N ATOM 1541 CA ILE A 95 102.871 -1.249 -1.337 1.00 0.00 C ATOM 1542 C ILE A 95 103.962 -1.751 -0.397 1.00 0.00 C ATOM 1543 O ILE A 95 104.926 -1.067 -0.115 1.00 0.00 O ATOM 1544 CB ILE A 95 101.795 -0.546 -0.514 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.123 -1.558 0.418 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.753 0.066 -1.450 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.957 -0.886 1.149 1.00 0.00 C ATOM 0 H ILE A 95 101.418 -2.784 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 95 103.293 -0.552 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 95 102.251 0.245 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.763 -2.412 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.846 -1.940 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.985 0.568 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.235 0.788 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.295 -0.721 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.479 -1.607 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.330 -0.046 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.230 -0.526 0.421 1.00 0.00 H new ATOM 1559 N LEU A 96 103.797 -2.937 0.103 1.00 0.00 N ATOM 1560 CA LEU A 96 104.797 -3.502 1.050 1.00 0.00 C ATOM 1561 C LEU A 96 106.048 -3.969 0.292 1.00 0.00 C ATOM 1562 O LEU A 96 107.140 -3.962 0.825 1.00 0.00 O ATOM 1563 CB LEU A 96 104.145 -4.689 1.788 1.00 0.00 C ATOM 1564 CG LEU A 96 103.530 -4.220 3.124 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.430 -5.192 3.557 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.616 -4.172 4.210 1.00 0.00 C ATOM 0 H LEU A 96 103.006 -3.547 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 96 105.104 -2.739 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.373 -5.135 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 96 104.890 -5.463 1.975 1.00 0.00 H new ATOM 0 HG LEU A 96 103.106 -3.225 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 96 101.999 -4.857 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.652 -5.225 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.854 -6.188 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.176 -3.840 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.044 -5.166 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.399 -3.476 3.911 1.00 0.00 H new ATOM 1681 N TRP B 2 88.116 -14.833 10.335 1.00 0.00 N ATOM 1682 CA TRP B 2 88.650 -13.471 10.047 1.00 0.00 C ATOM 1683 C TRP B 2 89.926 -13.590 9.203 1.00 0.00 C ATOM 1684 O TRP B 2 90.363 -14.669 8.857 1.00 0.00 O ATOM 1685 CB TRP B 2 88.978 -12.757 11.375 1.00 0.00 C ATOM 1686 CG TRP B 2 87.773 -12.042 11.900 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.007 -12.464 12.929 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.199 -10.782 11.449 1.00 0.00 C ATOM 1689 NE1 TRP B 2 85.996 -11.544 13.140 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.073 -10.488 12.252 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.544 -9.875 10.431 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.317 -9.333 12.053 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.785 -8.712 10.228 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.675 -8.442 11.037 1.00 0.00 C ATOM 0 HA TRP B 2 87.904 -12.896 9.499 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.325 -13.484 12.109 1.00 0.00 H new ATOM 0 HB3 TRP B 2 89.791 -12.047 11.221 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.159 -13.371 13.495 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.281 -11.634 13.862 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.398 -10.075 9.801 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.461 -9.128 12.679 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.059 -8.022 9.444 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.095 -7.545 10.876 1.00 0.00 H new ATOM 1705 N VAL B 3 90.523 -12.475 8.886 1.00 0.00 N ATOM 1706 CA VAL B 3 91.772 -12.476 8.083 1.00 0.00 C ATOM 1707 C VAL B 3 92.522 -11.176 8.381 1.00 0.00 C ATOM 1708 O VAL B 3 91.929 -10.120 8.479 1.00 0.00 O ATOM 1709 CB VAL B 3 91.429 -12.569 6.592 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.281 -11.615 6.284 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.659 -12.200 5.744 1.00 0.00 C ATOM 0 H VAL B 3 90.190 -11.549 9.155 1.00 0.00 H new ATOM 0 HA VAL B 3 92.395 -13.332 8.340 1.00 0.00 H new ATOM 0 HB VAL B 3 91.132 -13.589 6.350 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.032 -11.676 5.225 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.410 -11.890 6.878 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.580 -10.596 6.528 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.406 -12.269 4.686 1.00 0.00 H new ATOM 0 HG22 VAL B 3 92.969 -11.181 5.977 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.475 -12.888 5.967 1.00 0.00 H new ATOM 1745 N SER B 5 96.007 -8.453 7.655 1.00 0.00 N ATOM 1746 CA SER B 5 96.873 -8.001 6.526 1.00 0.00 C ATOM 1747 C SER B 5 98.351 -8.195 6.914 1.00 0.00 C ATOM 1748 O SER B 5 98.678 -8.097 8.080 1.00 0.00 O ATOM 1749 CB SER B 5 96.612 -6.514 6.290 1.00 0.00 C ATOM 1750 OG SER B 5 96.982 -5.786 7.453 1.00 0.00 O ATOM 0 HA SER B 5 96.653 -8.575 5.626 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.183 -6.164 5.430 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.559 -6.349 6.062 1.00 0.00 H new ATOM 0 HG SER B 5 96.871 -6.354 8.244 1.00 0.00 H new ATOM 1756 N PRO B 6 99.220 -8.445 5.949 1.00 0.00 N ATOM 1757 CA PRO B 6 100.651 -8.618 6.252 1.00 0.00 C ATOM 1758 C PRO B 6 101.180 -7.346 6.935 1.00 0.00 C ATOM 1759 O PRO B 6 102.206 -7.359 7.585 1.00 0.00 O ATOM 1760 CB PRO B 6 101.328 -8.851 4.880 1.00 0.00 C ATOM 1761 CG PRO B 6 100.228 -8.707 3.788 1.00 0.00 C ATOM 1762 CD PRO B 6 98.871 -8.577 4.515 1.00 0.00 C ATOM 0 HA PRO B 6 100.850 -9.448 6.930 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.127 -8.127 4.718 1.00 0.00 H new ATOM 0 HB3 PRO B 6 101.782 -9.841 4.839 1.00 0.00 H new ATOM 0 HG2 PRO B 6 100.416 -7.831 3.167 1.00 0.00 H new ATOM 0 HG3 PRO B 6 100.228 -9.573 3.127 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.315 -7.709 4.162 1.00 0.00 H new ATOM 0 HD3 PRO B 6 98.243 -9.451 4.340 1.00 0.00 H new ATOM 1770 N LEU B 7 100.480 -6.251 6.791 1.00 0.00 N ATOM 1771 CA LEU B 7 100.931 -4.984 7.429 1.00 0.00 C ATOM 1772 C LEU B 7 101.251 -5.248 8.903 1.00 0.00 C ATOM 1773 O LEU B 7 100.394 -5.153 9.759 1.00 0.00 O ATOM 1774 CB LEU B 7 99.813 -3.935 7.332 1.00 0.00 C ATOM 1775 CG LEU B 7 99.483 -3.633 5.852 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.035 -3.145 5.731 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.418 -2.539 5.312 1.00 0.00 C ATOM 0 H LEU B 7 99.614 -6.182 6.257 1.00 0.00 H new ATOM 0 HA LEU B 7 101.821 -4.615 6.919 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.921 -4.297 7.843 1.00 0.00 H new ATOM 0 HB3 LEU B 7 100.120 -3.019 7.837 1.00 0.00 H new ATOM 0 HG LEU B 7 99.618 -4.548 5.275 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.808 -2.934 4.686 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.359 -3.916 6.100 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.906 -2.237 6.321 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.176 -2.335 4.269 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.290 -1.629 5.899 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.452 -2.876 5.385 1.00 0.00 H new