USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 776 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 79 TYR OH : rot 180:sc= -0.0446 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.222 K(o=-0.27,f=-1.8!) USER MOD Set 2.1: A 40 CYS SG : rot 34:sc= -0.822 USER MOD Set 2.2: A 59 TYR OH : rot -81:sc= 0.301 USER MOD Set 3.1: A 31 SER OG : rot -137:sc= 0.0321 USER MOD Set 3.2: A 33 ASN : amide:sc= -2.56! C(o=-2.5!,f=-2.4!) USER MOD Single : A 11 THR OG1 : rot 33:sc= -1.81! USER MOD Single : A 16 GLN : amide:sc= -4.79 X(o=-4.8,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 15:sc= -1.73 USER MOD Single : A 36 MET CE :methyl -118:sc= -4.94! (180deg=-11.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 137:sc= -0.432 (180deg=-5.48!) USER MOD Single : A 43 TYR OH : rot -130:sc= -3.32! USER MOD Single : A 46 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.0051) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -147:sc= -0.647 (180deg=-2.65!) USER MOD Single : A 51 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.41) USER MOD Single : A 53 ASN : amide:sc= -1.09 K(o=-1.1,f=0.077) USER MOD Single : A 54 SER OG : rot -80:sc= -0.0628 USER MOD Single : A 56 SER OG : rot -32:sc= 0.758 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 155:sc= -5.84! USER MOD Single : A 83 THR OG1 : rot 47:sc= -1.3 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -3.45! C(o=-3.4!,f=-3.2!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 90 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 0.0115 (180deg=-0.125) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -145:sc= -0.51! (180deg=-1.98!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.364 7.018 3.083 1.00 0.00 N ATOM 121 CA THR A 11 3.989 6.903 2.626 1.00 0.00 C ATOM 122 C THR A 11 3.021 7.108 3.792 1.00 0.00 C ATOM 123 O THR A 11 3.387 6.912 4.950 1.00 0.00 O ATOM 124 CB THR A 11 3.832 5.547 1.936 1.00 0.00 C ATOM 125 OG1 THR A 11 4.637 5.656 0.766 1.00 0.00 O ATOM 126 CG2 THR A 11 2.418 5.325 1.396 1.00 0.00 C ATOM 0 HA THR A 11 3.746 7.681 1.903 1.00 0.00 H new ATOM 0 HB THR A 11 4.081 4.752 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.408 6.232 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.361 4.348 0.916 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.704 5.368 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.180 6.101 0.668 1.00 0.00 H new ATOM 134 N ILE A 12 1.803 7.501 3.447 1.00 0.00 N ATOM 135 CA ILE A 12 0.779 7.735 4.450 1.00 0.00 C ATOM 136 C ILE A 12 -0.503 7.007 4.044 1.00 0.00 C ATOM 137 O ILE A 12 -0.951 7.120 2.903 1.00 0.00 O ATOM 138 CB ILE A 12 0.588 9.235 4.681 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.870 9.875 5.218 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.611 9.501 5.594 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.913 11.370 4.895 1.00 0.00 C ATOM 0 H ILE A 12 1.503 7.663 2.486 1.00 0.00 H new ATOM 0 HA ILE A 12 1.087 7.325 5.412 1.00 0.00 H new ATOM 0 HB ILE A 12 0.372 9.703 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.929 9.730 6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.738 9.380 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.724 10.575 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.514 9.101 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.449 9.017 6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.834 11.801 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.879 11.510 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.057 11.866 5.352 1.00 0.00 H new ATOM 153 N LEU A 13 -1.059 6.275 4.998 1.00 0.00 N ATOM 154 CA LEU A 13 -2.281 5.529 4.754 1.00 0.00 C ATOM 155 C LEU A 13 -3.322 5.902 5.811 1.00 0.00 C ATOM 156 O LEU A 13 -3.068 5.776 7.008 1.00 0.00 O ATOM 157 CB LEU A 13 -1.988 4.029 4.682 1.00 0.00 C ATOM 158 CG LEU A 13 -3.180 3.127 4.354 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.855 2.625 5.632 1.00 0.00 C ATOM 160 CD2 LEU A 13 -4.167 3.839 3.426 1.00 0.00 C ATOM 0 H LEU A 13 -0.685 6.183 5.942 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.702 5.795 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.216 3.866 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.572 3.714 5.639 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.810 2.252 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.699 1.986 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.138 2.055 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.210 3.475 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.005 3.176 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.536 4.743 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.665 4.106 2.496 1.00 0.00 H new ATOM 172 N LEU A 14 -4.471 6.354 5.331 1.00 0.00 N ATOM 173 CA LEU A 14 -5.551 6.746 6.221 1.00 0.00 C ATOM 174 C LEU A 14 -6.823 5.986 5.838 1.00 0.00 C ATOM 175 O LEU A 14 -6.814 5.183 4.906 1.00 0.00 O ATOM 176 CB LEU A 14 -5.720 8.266 6.221 1.00 0.00 C ATOM 177 CG LEU A 14 -5.152 9.004 5.007 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.628 8.884 4.956 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.809 8.518 3.713 1.00 0.00 C ATOM 0 H LEU A 14 -4.678 6.458 4.338 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.314 6.475 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.783 8.493 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.246 8.664 7.118 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.388 10.063 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.250 9.417 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.199 9.316 5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.348 7.833 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.387 9.059 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.625 7.451 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.883 8.698 3.760 1.00 0.00 H new ATOM 191 N VAL A 15 -7.887 6.266 6.576 1.00 0.00 N ATOM 192 CA VAL A 15 -9.163 5.619 6.325 1.00 0.00 C ATOM 193 C VAL A 15 -10.296 6.608 6.611 1.00 0.00 C ATOM 194 O VAL A 15 -10.224 7.381 7.565 1.00 0.00 O ATOM 195 CB VAL A 15 -9.270 4.334 7.150 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.682 4.159 7.712 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.854 3.117 6.322 1.00 0.00 C ATOM 0 H VAL A 15 -7.891 6.932 7.348 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.243 5.325 5.278 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.583 4.417 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.731 3.239 8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.926 5.006 8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.397 4.107 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.939 2.217 6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.505 3.029 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.822 3.237 5.993 1.00 0.00 H new ATOM 207 N GLN A 16 -11.315 6.551 5.766 1.00 0.00 N ATOM 208 CA GLN A 16 -12.461 7.431 5.915 1.00 0.00 C ATOM 209 C GLN A 16 -13.745 6.705 5.508 1.00 0.00 C ATOM 210 O GLN A 16 -14.091 6.663 4.328 1.00 0.00 O ATOM 211 CB GLN A 16 -12.276 8.715 5.103 1.00 0.00 C ATOM 212 CG GLN A 16 -13.470 9.654 5.282 1.00 0.00 C ATOM 213 CD GLN A 16 -13.675 10.005 6.757 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.041 10.891 7.305 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.594 9.262 7.367 1.00 0.00 N ATOM 0 H GLN A 16 -11.371 5.909 4.976 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.544 7.713 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.362 9.219 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.158 8.468 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.310 10.566 4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.370 9.182 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.089 8.536 6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.804 9.418 8.353 1.00 0.00 H new ATOM 224 N PRO A 17 -14.434 6.138 6.533 1.00 0.00 N ATOM 225 CA PRO A 17 -15.672 5.416 6.294 1.00 0.00 C ATOM 226 C PRO A 17 -16.824 6.382 6.009 1.00 0.00 C ATOM 227 O PRO A 17 -17.535 6.230 5.017 1.00 0.00 O ATOM 228 CB PRO A 17 -15.891 4.584 7.547 1.00 0.00 C ATOM 229 CG PRO A 17 -15.025 5.217 8.624 1.00 0.00 C ATOM 230 CD PRO A 17 -14.054 6.168 7.943 1.00 0.00 C ATOM 0 HA PRO A 17 -15.623 4.778 5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.941 4.586 7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.609 3.544 7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.643 5.753 9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.483 4.450 9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.132 7.175 8.353 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.022 5.847 8.082 1.00 0.00 H new ATOM 238 N THR A 18 -16.972 7.354 6.897 1.00 0.00 N ATOM 239 CA THR A 18 -18.025 8.344 6.754 1.00 0.00 C ATOM 240 C THR A 18 -17.436 9.692 6.333 1.00 0.00 C ATOM 241 O THR A 18 -16.477 9.741 5.564 1.00 0.00 O ATOM 242 CB THR A 18 -18.800 8.405 8.071 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.983 9.209 8.918 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.854 7.051 8.782 1.00 0.00 C ATOM 0 H THR A 18 -16.380 7.477 7.718 1.00 0.00 H new ATOM 0 HA THR A 18 -18.722 8.068 5.963 1.00 0.00 H new ATOM 0 HB THR A 18 -19.814 8.755 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.412 9.302 9.794 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.415 7.150 9.711 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.344 6.321 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.841 6.716 9.004 1.00 0.00 H new ATOM 252 N LYS A 19 -18.035 10.752 6.855 1.00 0.00 N ATOM 253 CA LYS A 19 -17.581 12.097 6.543 1.00 0.00 C ATOM 254 C LYS A 19 -17.045 12.758 7.814 1.00 0.00 C ATOM 255 O LYS A 19 -16.059 13.492 7.768 1.00 0.00 O ATOM 256 CB LYS A 19 -18.695 12.893 5.859 1.00 0.00 C ATOM 257 CG LYS A 19 -20.038 12.665 6.554 1.00 0.00 C ATOM 258 CD LYS A 19 -20.871 11.620 5.810 1.00 0.00 C ATOM 259 CE LYS A 19 -21.161 12.069 4.376 1.00 0.00 C ATOM 260 NZ LYS A 19 -22.550 11.728 3.997 1.00 0.00 N ATOM 0 H LYS A 19 -18.831 10.707 7.492 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.758 12.065 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.450 13.955 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.768 12.597 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.869 12.337 7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.589 13.604 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.339 10.669 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.809 11.453 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.007 13.144 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.463 11.589 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.730 12.040 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.685 10.699 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.213 12.206 4.641 1.00 0.00 H new ATOM 274 N ARG A 20 -17.719 12.474 8.919 1.00 0.00 N ATOM 275 CA ARG A 20 -17.322 13.031 10.201 1.00 0.00 C ATOM 276 C ARG A 20 -15.853 12.713 10.487 1.00 0.00 C ATOM 277 O ARG A 20 -15.309 11.748 9.955 1.00 0.00 O ATOM 278 CB ARG A 20 -18.187 12.475 11.335 1.00 0.00 C ATOM 279 CG ARG A 20 -19.496 13.258 11.460 1.00 0.00 C ATOM 280 CD ARG A 20 -19.284 14.559 12.237 1.00 0.00 C ATOM 281 NE ARG A 20 -20.490 15.411 12.134 1.00 0.00 N ATOM 282 CZ ARG A 20 -20.596 16.632 12.678 1.00 0.00 C ATOM 283 NH1 ARG A 20 -19.569 17.150 13.365 1.00 0.00 N ATOM 284 NH2 ARG A 20 -21.728 17.333 12.534 1.00 0.00 N ATOM 0 H ARG A 20 -18.537 11.866 8.953 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.460 14.111 10.150 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.404 11.423 11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.637 12.526 12.275 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.886 13.482 10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.243 12.646 11.965 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.073 14.337 13.283 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.418 15.091 11.843 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.290 15.047 11.617 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.707 16.616 13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.649 18.079 13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.509 16.938 12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.809 18.262 12.948 1.00 0.00 H new ATOM 298 N PRO A 21 -15.238 13.567 11.349 1.00 0.00 N ATOM 299 CA PRO A 21 -13.842 13.386 11.712 1.00 0.00 C ATOM 300 C PRO A 21 -13.676 12.223 12.691 1.00 0.00 C ATOM 301 O PRO A 21 -12.556 11.814 12.990 1.00 0.00 O ATOM 302 CB PRO A 21 -13.413 14.722 12.297 1.00 0.00 C ATOM 303 CG PRO A 21 -14.696 15.446 12.669 1.00 0.00 C ATOM 304 CD PRO A 21 -15.851 14.721 11.998 1.00 0.00 C ATOM 0 HA PRO A 21 -13.216 13.119 10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.778 14.579 13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.836 15.298 11.574 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.829 15.456 13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.656 16.485 12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.602 14.413 12.726 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.353 15.362 11.274 1.00 0.00 H new ATOM 312 N GLU A 22 -14.809 11.722 13.163 1.00 0.00 N ATOM 313 CA GLU A 22 -14.803 10.613 14.102 1.00 0.00 C ATOM 314 C GLU A 22 -14.766 9.281 13.350 1.00 0.00 C ATOM 315 O GLU A 22 -15.770 8.858 12.781 1.00 0.00 O ATOM 316 CB GLU A 22 -16.011 10.682 15.038 1.00 0.00 C ATOM 317 CG GLU A 22 -15.668 11.438 16.323 1.00 0.00 C ATOM 318 CD GLU A 22 -16.350 10.798 17.534 1.00 0.00 C ATOM 319 OE1 GLU A 22 -17.494 10.327 17.358 1.00 0.00 O ATOM 320 OE2 GLU A 22 -15.711 10.795 18.609 1.00 0.00 O ATOM 0 H GLU A 22 -15.737 12.064 12.913 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.905 10.686 14.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.840 11.176 14.531 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.343 9.673 15.283 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.588 11.442 16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.981 12.478 16.232 1.00 0.00 H new ATOM 327 N GLY A 23 -13.597 8.658 13.374 1.00 0.00 N ATOM 328 CA GLY A 23 -13.415 7.382 12.702 1.00 0.00 C ATOM 329 C GLY A 23 -12.417 7.507 11.549 1.00 0.00 C ATOM 330 O GLY A 23 -12.496 6.764 10.572 1.00 0.00 O ATOM 0 H GLY A 23 -12.766 9.013 13.848 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.060 6.638 13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.373 7.027 12.322 1.00 0.00 H new ATOM 334 N ARG A 24 -11.501 8.452 11.701 1.00 0.00 N ATOM 335 CA ARG A 24 -10.488 8.684 10.685 1.00 0.00 C ATOM 336 C ARG A 24 -9.103 8.776 11.328 1.00 0.00 C ATOM 337 O ARG A 24 -8.962 9.288 12.437 1.00 0.00 O ATOM 338 CB ARG A 24 -10.770 9.972 9.910 1.00 0.00 C ATOM 339 CG ARG A 24 -11.034 11.139 10.864 1.00 0.00 C ATOM 340 CD ARG A 24 -10.165 12.347 10.506 1.00 0.00 C ATOM 341 NE ARG A 24 -11.022 13.509 10.182 1.00 0.00 N ATOM 342 CZ ARG A 24 -11.601 13.705 8.989 1.00 0.00 C ATOM 343 NH1 ARG A 24 -11.419 12.819 8.001 1.00 0.00 N ATOM 344 NH2 ARG A 24 -12.363 14.789 8.785 1.00 0.00 N ATOM 0 H ARG A 24 -11.439 9.066 12.513 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.515 7.843 9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.921 10.207 9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.632 9.828 9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.087 11.418 10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.828 10.829 11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.507 12.592 11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.527 12.107 9.656 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.182 14.204 10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.839 11.994 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.860 12.969 7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.502 15.464 9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.804 14.939 7.878 1.00 0.00 H new ATOM 358 N THR A 25 -8.115 8.272 10.604 1.00 0.00 N ATOM 359 CA THR A 25 -6.746 8.291 11.089 1.00 0.00 C ATOM 360 C THR A 25 -5.768 8.045 9.938 1.00 0.00 C ATOM 361 O THR A 25 -6.178 7.671 8.840 1.00 0.00 O ATOM 362 CB THR A 25 -6.629 7.263 12.216 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.381 7.564 12.833 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.451 5.837 11.691 1.00 0.00 C ATOM 0 H THR A 25 -8.236 7.848 9.684 1.00 0.00 H new ATOM 0 HA THR A 25 -6.484 9.269 11.493 1.00 0.00 H new ATOM 0 HB THR A 25 -7.519 7.310 12.844 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.226 6.945 13.577 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.373 5.147 12.531 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.310 5.566 11.077 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.543 5.781 11.090 1.00 0.00 H new ATOM 372 N TYR A 26 -4.494 8.265 10.229 1.00 0.00 N ATOM 373 CA TYR A 26 -3.455 8.072 9.232 1.00 0.00 C ATOM 374 C TYR A 26 -2.324 7.200 9.781 1.00 0.00 C ATOM 375 O TYR A 26 -2.292 6.897 10.973 1.00 0.00 O ATOM 376 CB TYR A 26 -2.905 9.465 8.921 1.00 0.00 C ATOM 377 CG TYR A 26 -3.963 10.570 8.935 1.00 0.00 C ATOM 378 CD1 TYR A 26 -4.379 11.112 10.134 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.502 11.024 7.749 1.00 0.00 C ATOM 380 CE1 TYR A 26 -5.376 12.151 10.148 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.498 12.064 7.762 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.886 12.576 8.961 1.00 0.00 C ATOM 383 OH TYR A 26 -6.827 13.558 8.973 1.00 0.00 O ATOM 0 H TYR A 26 -4.158 8.575 11.141 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.857 7.575 8.349 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.130 9.709 9.648 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.428 9.445 7.941 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.957 10.757 11.062 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.177 10.599 6.811 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.711 12.583 11.080 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.927 12.429 6.841 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.099 13.761 8.054 1.00 0.00 H new ATOM 393 N ALA A 27 -1.423 6.823 8.886 1.00 0.00 N ATOM 394 CA ALA A 27 -0.293 5.992 9.266 1.00 0.00 C ATOM 395 C ALA A 27 0.929 6.389 8.434 1.00 0.00 C ATOM 396 O ALA A 27 0.835 7.248 7.559 1.00 0.00 O ATOM 397 CB ALA A 27 -0.662 4.517 9.093 1.00 0.00 C ATOM 0 H ALA A 27 -1.452 7.078 7.899 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.041 6.144 10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.186 3.894 9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.516 4.279 9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.918 4.326 8.051 1.00 0.00 H new ATOM 403 N ASP A 28 2.046 5.744 8.737 1.00 0.00 N ATOM 404 CA ASP A 28 3.284 6.019 8.028 1.00 0.00 C ATOM 405 C ASP A 28 4.217 4.813 8.154 1.00 0.00 C ATOM 406 O ASP A 28 4.365 4.248 9.236 1.00 0.00 O ATOM 407 CB ASP A 28 4.000 7.234 8.621 1.00 0.00 C ATOM 408 CG ASP A 28 3.123 8.145 9.482 1.00 0.00 C ATOM 409 OD1 ASP A 28 2.248 8.814 8.891 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.347 8.152 10.712 1.00 0.00 O ATOM 0 H ASP A 28 2.120 5.032 9.464 1.00 0.00 H new ATOM 0 HA ASP A 28 3.038 6.219 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.837 6.884 9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.419 7.823 7.806 1.00 0.00 H new ATOM 415 N TYR A 29 4.822 4.454 7.031 1.00 0.00 N ATOM 416 CA TYR A 29 5.737 3.325 7.002 1.00 0.00 C ATOM 417 C TYR A 29 7.009 3.670 6.225 1.00 0.00 C ATOM 418 O TYR A 29 7.151 4.784 5.723 1.00 0.00 O ATOM 419 CB TYR A 29 4.997 2.202 6.273 1.00 0.00 C ATOM 420 CG TYR A 29 3.695 1.771 6.951 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.633 2.648 7.025 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.584 0.505 7.490 1.00 0.00 C ATOM 423 CE1 TYR A 29 1.407 2.243 7.663 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.358 0.100 8.128 1.00 0.00 C ATOM 425 CZ TYR A 29 1.330 0.989 8.184 1.00 0.00 C ATOM 426 OH TYR A 29 0.173 0.606 8.787 1.00 0.00 O ATOM 0 H TYR A 29 4.697 4.925 6.135 1.00 0.00 H new ATOM 0 HA TYR A 29 6.032 3.044 8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.775 2.527 5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.657 1.338 6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.721 3.639 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.416 -0.181 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.568 2.920 7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.257 -0.888 8.553 1.00 0.00 H new ATOM 0 HH TYR A 29 0.262 -0.315 9.111 1.00 0.00 H new ATOM 436 N GLU A 30 7.902 2.694 6.151 1.00 0.00 N ATOM 437 CA GLU A 30 9.157 2.880 5.444 1.00 0.00 C ATOM 438 C GLU A 30 8.957 2.670 3.942 1.00 0.00 C ATOM 439 O GLU A 30 9.568 3.361 3.128 1.00 0.00 O ATOM 440 CB GLU A 30 10.238 1.944 5.989 1.00 0.00 C ATOM 441 CG GLU A 30 9.891 0.482 5.704 1.00 0.00 C ATOM 442 CD GLU A 30 10.925 -0.459 6.327 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.127 -0.225 6.079 1.00 0.00 O ATOM 444 OE2 GLU A 30 10.489 -1.390 7.038 1.00 0.00 O ATOM 0 H GLU A 30 7.781 1.772 6.569 1.00 0.00 H new ATOM 0 HA GLU A 30 9.494 3.904 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.198 2.189 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.346 2.093 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.902 0.255 6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.847 0.318 4.627 1.00 0.00 H new ATOM 451 N SER A 31 8.099 1.713 3.620 1.00 0.00 N ATOM 452 CA SER A 31 7.810 1.404 2.230 1.00 0.00 C ATOM 453 C SER A 31 6.365 1.781 1.899 1.00 0.00 C ATOM 454 O SER A 31 5.645 2.301 2.750 1.00 0.00 O ATOM 455 CB SER A 31 8.053 -0.078 1.934 1.00 0.00 C ATOM 456 OG SER A 31 8.585 -0.281 0.627 1.00 0.00 O ATOM 0 H SER A 31 7.595 1.141 4.298 1.00 0.00 H new ATOM 0 HA SER A 31 8.483 1.988 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.741 -0.487 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.116 -0.626 2.033 1.00 0.00 H new ATOM 0 HG SER A 31 8.139 -1.046 0.207 1.00 0.00 H new ATOM 462 N VAL A 32 5.983 1.505 0.660 1.00 0.00 N ATOM 463 CA VAL A 32 4.637 1.809 0.206 1.00 0.00 C ATOM 464 C VAL A 32 3.739 0.591 0.435 1.00 0.00 C ATOM 465 O VAL A 32 2.684 0.702 1.056 1.00 0.00 O ATOM 466 CB VAL A 32 4.668 2.263 -1.254 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.340 1.957 -1.952 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.012 3.750 -1.359 1.00 0.00 C ATOM 0 H VAL A 32 6.583 1.074 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 32 4.217 2.635 0.780 1.00 0.00 H new ATOM 0 HB VAL A 32 5.451 1.701 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.389 2.290 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.153 0.884 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.531 2.480 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.027 4.047 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.262 4.335 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.992 3.929 -0.917 1.00 0.00 H new ATOM 478 N ASN A 33 4.191 -0.543 -0.080 1.00 0.00 N ATOM 479 CA ASN A 33 3.442 -1.780 0.060 1.00 0.00 C ATOM 480 C ASN A 33 3.007 -1.945 1.517 1.00 0.00 C ATOM 481 O ASN A 33 1.878 -2.351 1.790 1.00 0.00 O ATOM 482 CB ASN A 33 4.300 -2.989 -0.317 1.00 0.00 C ATOM 483 CG ASN A 33 5.436 -3.190 0.688 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.525 -2.658 0.547 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.123 -3.985 1.707 1.00 0.00 N ATOM 0 H ASN A 33 5.067 -0.631 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 33 2.579 -1.729 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.678 -3.884 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.714 -2.849 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.814 -4.182 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.192 -4.398 1.764 1.00 0.00 H new ATOM 492 N GLU A 34 3.925 -1.621 2.416 1.00 0.00 N ATOM 493 CA GLU A 34 3.650 -1.728 3.839 1.00 0.00 C ATOM 494 C GLU A 34 2.406 -0.915 4.202 1.00 0.00 C ATOM 495 O GLU A 34 1.524 -1.403 4.907 1.00 0.00 O ATOM 496 CB GLU A 34 4.857 -1.282 4.666 1.00 0.00 C ATOM 497 CG GLU A 34 6.092 -2.120 4.328 1.00 0.00 C ATOM 498 CD GLU A 34 5.969 -3.534 4.898 1.00 0.00 C ATOM 499 OE1 GLU A 34 6.312 -3.697 6.089 1.00 0.00 O ATOM 500 OE2 GLU A 34 5.535 -4.420 4.131 1.00 0.00 O ATOM 0 H GLU A 34 4.860 -1.284 2.187 1.00 0.00 H new ATOM 0 HA GLU A 34 3.457 -2.775 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.064 -0.229 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.629 -1.375 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.217 -2.170 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.983 -1.639 4.730 1.00 0.00 H new ATOM 507 N CYS A 35 2.374 0.313 3.704 1.00 0.00 N ATOM 508 CA CYS A 35 1.253 1.199 3.967 1.00 0.00 C ATOM 509 C CYS A 35 -0.031 0.491 3.529 1.00 0.00 C ATOM 510 O CYS A 35 -1.084 0.678 4.136 1.00 0.00 O ATOM 511 CB CYS A 35 1.426 2.551 3.271 1.00 0.00 C ATOM 512 SG CYS A 35 1.289 3.905 4.494 1.00 0.00 S ATOM 0 H CYS A 35 3.107 0.715 3.120 1.00 0.00 H new ATOM 0 HA CYS A 35 1.200 1.418 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.396 2.593 2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.668 2.671 2.497 1.00 0.00 H new ATOM 0 HG CYS A 35 1.383 3.416 5.695 1.00 0.00 H new ATOM 518 N MET A 36 0.099 -0.306 2.479 1.00 0.00 N ATOM 519 CA MET A 36 -1.038 -1.043 1.954 1.00 0.00 C ATOM 520 C MET A 36 -1.396 -2.221 2.862 1.00 0.00 C ATOM 521 O MET A 36 -2.555 -2.627 2.931 1.00 0.00 O ATOM 522 CB MET A 36 -0.708 -1.560 0.552 1.00 0.00 C ATOM 523 CG MET A 36 -1.678 -0.990 -0.485 1.00 0.00 C ATOM 524 SD MET A 36 -1.480 0.780 -0.598 1.00 0.00 S ATOM 525 CE MET A 36 0.138 0.865 -1.347 1.00 0.00 C ATOM 0 H MET A 36 0.974 -0.458 1.978 1.00 0.00 H new ATOM 0 HA MET A 36 -1.894 -0.370 1.911 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.313 -1.284 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.757 -2.649 0.541 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.494 -1.448 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.704 -1.232 -0.207 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.825 1.374 -0.671 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.502 -0.144 -1.543 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.076 1.417 -2.285 1.00 0.00 H new ATOM 535 N GLU A 37 -0.378 -2.737 3.536 1.00 0.00 N ATOM 536 CA GLU A 37 -0.571 -3.861 4.437 1.00 0.00 C ATOM 537 C GLU A 37 -1.702 -3.562 5.424 1.00 0.00 C ATOM 538 O GLU A 37 -2.580 -4.397 5.638 1.00 0.00 O ATOM 539 CB GLU A 37 0.726 -4.200 5.175 1.00 0.00 C ATOM 540 CG GLU A 37 1.009 -5.703 5.122 1.00 0.00 C ATOM 541 CD GLU A 37 2.024 -6.107 6.194 1.00 0.00 C ATOM 542 OE1 GLU A 37 1.632 -6.092 7.381 1.00 0.00 O ATOM 543 OE2 GLU A 37 3.168 -6.423 5.802 1.00 0.00 O ATOM 0 H GLU A 37 0.582 -2.398 3.476 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.853 -4.732 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.557 -3.654 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.653 -3.876 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.081 -6.257 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.389 -5.971 4.136 1.00 0.00 H new ATOM 550 N GLY A 38 -1.643 -2.370 5.998 1.00 0.00 N ATOM 551 CA GLY A 38 -2.651 -1.951 6.957 1.00 0.00 C ATOM 552 C GLY A 38 -4.057 -2.080 6.367 1.00 0.00 C ATOM 553 O GLY A 38 -4.987 -2.496 7.055 1.00 0.00 O ATOM 0 H GLY A 38 -0.913 -1.681 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.574 -2.558 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.470 -0.917 7.252 1.00 0.00 H new ATOM 557 N VAL A 39 -4.167 -1.715 5.098 1.00 0.00 N ATOM 558 CA VAL A 39 -5.443 -1.785 4.407 1.00 0.00 C ATOM 559 C VAL A 39 -5.985 -3.213 4.488 1.00 0.00 C ATOM 560 O VAL A 39 -6.986 -3.464 5.157 1.00 0.00 O ATOM 561 CB VAL A 39 -5.288 -1.285 2.969 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.620 -1.351 2.219 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.711 0.132 2.940 1.00 0.00 C ATOM 0 H VAL A 39 -3.393 -1.370 4.530 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.173 -1.133 4.887 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.584 -1.943 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.482 -0.990 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.973 -2.382 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.355 -0.728 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.611 0.463 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.379 0.808 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.732 0.136 3.418 1.00 0.00 H new ATOM 573 N CYS A 40 -5.299 -4.112 3.798 1.00 0.00 N ATOM 574 CA CYS A 40 -5.698 -5.509 3.784 1.00 0.00 C ATOM 575 C CYS A 40 -6.076 -5.915 5.210 1.00 0.00 C ATOM 576 O CYS A 40 -7.158 -6.452 5.440 1.00 0.00 O ATOM 577 CB CYS A 40 -4.601 -6.406 3.207 1.00 0.00 C ATOM 578 SG CYS A 40 -5.089 -8.164 3.351 1.00 0.00 S ATOM 0 H CYS A 40 -4.469 -3.900 3.244 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.561 -5.636 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.426 -6.153 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.664 -6.236 3.737 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.376 -8.271 3.198 1.00 0.00 H new ATOM 584 N LYS A 41 -5.162 -5.644 6.130 1.00 0.00 N ATOM 585 CA LYS A 41 -5.385 -5.975 7.527 1.00 0.00 C ATOM 586 C LYS A 41 -6.832 -5.646 7.899 1.00 0.00 C ATOM 587 O LYS A 41 -7.562 -6.507 8.388 1.00 0.00 O ATOM 588 CB LYS A 41 -4.349 -5.281 8.414 1.00 0.00 C ATOM 589 CG LYS A 41 -2.931 -5.727 8.051 1.00 0.00 C ATOM 590 CD LYS A 41 -2.454 -6.847 8.978 1.00 0.00 C ATOM 591 CE LYS A 41 -0.946 -7.065 8.844 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.228 -6.426 9.969 1.00 0.00 N ATOM 0 H LYS A 41 -4.265 -5.199 5.935 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.247 -7.044 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.434 -4.200 8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.549 -5.510 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.908 -6.071 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.250 -4.878 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.699 -6.598 10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.981 -7.771 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.727 -8.133 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.595 -6.651 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.794 -6.584 9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.423 -5.404 9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.550 -6.840 10.867 1.00 0.00 H new ATOM 606 N MET A 42 -7.204 -4.398 7.654 1.00 0.00 N ATOM 607 CA MET A 42 -8.550 -3.944 7.958 1.00 0.00 C ATOM 608 C MET A 42 -9.573 -5.054 7.705 1.00 0.00 C ATOM 609 O MET A 42 -10.469 -5.275 8.518 1.00 0.00 O ATOM 610 CB MET A 42 -8.889 -2.731 7.089 1.00 0.00 C ATOM 611 CG MET A 42 -7.845 -1.625 7.261 1.00 0.00 C ATOM 612 SD MET A 42 -8.584 -0.033 6.938 1.00 0.00 S ATOM 613 CE MET A 42 -8.628 -0.068 5.154 1.00 0.00 C ATOM 0 H MET A 42 -6.596 -3.687 7.248 1.00 0.00 H new ATOM 0 HA MET A 42 -8.591 -3.670 9.012 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.937 -3.031 6.042 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.875 -2.351 7.357 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.441 -1.649 8.273 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.010 -1.792 6.580 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.587 0.317 4.806 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.823 0.551 4.758 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.501 -1.093 4.807 1.00 0.00 H new ATOM 623 N TYR A 43 -9.404 -5.724 6.574 1.00 0.00 N ATOM 624 CA TYR A 43 -10.300 -6.806 6.204 1.00 0.00 C ATOM 625 C TYR A 43 -9.939 -8.096 6.944 1.00 0.00 C ATOM 626 O TYR A 43 -10.792 -8.709 7.584 1.00 0.00 O ATOM 627 CB TYR A 43 -10.104 -7.022 4.702 1.00 0.00 C ATOM 628 CG TYR A 43 -11.219 -7.833 4.039 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.484 -7.296 3.917 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.959 -9.102 3.562 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.533 -8.059 3.293 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.008 -9.865 2.938 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.244 -9.306 2.834 1.00 0.00 C ATOM 634 OH TYR A 43 -14.235 -10.027 2.245 1.00 0.00 O ATOM 0 H TYR A 43 -8.660 -5.538 5.902 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.329 -6.555 6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.034 -6.051 4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.153 -7.530 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.687 -6.303 4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.969 -9.522 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.527 -7.650 3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.818 -10.859 2.561 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.270 -10.922 2.643 1.00 0.00 H new ATOM 644 N GLU A 44 -8.672 -8.469 6.832 1.00 0.00 N ATOM 645 CA GLU A 44 -8.187 -9.674 7.482 1.00 0.00 C ATOM 646 C GLU A 44 -8.652 -9.715 8.940 1.00 0.00 C ATOM 647 O GLU A 44 -9.282 -10.681 9.367 1.00 0.00 O ATOM 648 CB GLU A 44 -6.663 -9.772 7.390 1.00 0.00 C ATOM 649 CG GLU A 44 -6.230 -10.305 6.023 1.00 0.00 C ATOM 650 CD GLU A 44 -5.480 -11.631 6.164 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.877 -11.830 7.241 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.526 -12.416 5.192 1.00 0.00 O ATOM 0 H GLU A 44 -7.967 -7.958 6.301 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.605 -10.536 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.221 -8.790 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.289 -10.429 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.106 -10.444 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.592 -9.573 5.529 1.00 0.00 H new ATOM 659 N GLU A 45 -8.322 -8.654 9.662 1.00 0.00 N ATOM 660 CA GLU A 45 -8.697 -8.556 11.062 1.00 0.00 C ATOM 661 C GLU A 45 -10.189 -8.849 11.233 1.00 0.00 C ATOM 662 O GLU A 45 -10.611 -9.358 12.271 1.00 0.00 O ATOM 663 CB GLU A 45 -8.339 -7.182 11.631 1.00 0.00 C ATOM 664 CG GLU A 45 -9.179 -6.082 10.978 1.00 0.00 C ATOM 665 CD GLU A 45 -10.061 -5.379 12.012 1.00 0.00 C ATOM 666 OE1 GLU A 45 -10.771 -6.104 12.740 1.00 0.00 O ATOM 667 OE2 GLU A 45 -10.004 -4.130 12.050 1.00 0.00 O ATOM 0 H GLU A 45 -7.799 -7.855 9.303 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.133 -9.302 11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.502 -7.177 12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.280 -6.981 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.523 -5.355 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.803 -6.513 10.195 1.00 0.00 H new ATOM 674 N HIS A 46 -10.948 -8.515 10.200 1.00 0.00 N ATOM 675 CA HIS A 46 -12.384 -8.735 10.223 1.00 0.00 C ATOM 676 C HIS A 46 -12.685 -10.194 9.873 1.00 0.00 C ATOM 677 O HIS A 46 -13.718 -10.731 10.270 1.00 0.00 O ATOM 678 CB HIS A 46 -13.100 -7.745 9.302 1.00 0.00 C ATOM 679 CG HIS A 46 -14.463 -8.208 8.845 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.611 -8.014 9.594 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.850 -8.855 7.709 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.636 -8.527 8.929 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.162 -9.048 7.761 1.00 0.00 N ATOM 0 H HIS A 46 -10.595 -8.093 9.341 1.00 0.00 H new ATOM 0 HA HIS A 46 -12.768 -8.551 11.227 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -13.206 -6.793 9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.477 -7.563 8.426 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.199 -9.159 6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.666 -8.532 9.255 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.723 -9.510 7.045 1.00 0.00 H new ATOM 691 N LEU A 47 -11.763 -10.795 9.135 1.00 0.00 N ATOM 692 CA LEU A 47 -11.916 -12.181 8.728 1.00 0.00 C ATOM 693 C LEU A 47 -11.540 -13.096 9.896 1.00 0.00 C ATOM 694 O LEU A 47 -12.274 -14.028 10.220 1.00 0.00 O ATOM 695 CB LEU A 47 -11.120 -12.456 7.451 1.00 0.00 C ATOM 696 CG LEU A 47 -11.922 -12.451 6.147 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.761 -11.178 6.024 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.005 -12.653 4.939 1.00 0.00 C ATOM 0 H LEU A 47 -10.907 -10.347 8.808 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.956 -12.392 8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.330 -11.710 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.633 -13.426 7.552 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.615 -13.292 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.321 -11.200 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.456 -11.118 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.105 -10.308 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.600 -12.645 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.271 -11.848 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.490 -13.610 5.029 1.00 0.00 H new ATOM 710 N LYS A 48 -10.397 -12.797 10.495 1.00 0.00 N ATOM 711 CA LYS A 48 -9.914 -13.581 11.619 1.00 0.00 C ATOM 712 C LYS A 48 -11.101 -13.999 12.490 1.00 0.00 C ATOM 713 O LYS A 48 -11.438 -15.180 12.560 1.00 0.00 O ATOM 714 CB LYS A 48 -8.832 -12.814 12.382 1.00 0.00 C ATOM 715 CG LYS A 48 -7.563 -13.655 12.527 1.00 0.00 C ATOM 716 CD LYS A 48 -6.317 -12.830 12.197 1.00 0.00 C ATOM 717 CE LYS A 48 -5.804 -13.151 10.792 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.338 -13.353 10.809 1.00 0.00 N ATOM 0 H LYS A 48 -9.791 -12.023 10.223 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.436 -14.496 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.600 -11.887 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.204 -12.538 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.491 -14.038 13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.617 -14.519 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.550 -11.768 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.536 -13.035 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.296 -14.047 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.057 -12.338 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.006 -13.570 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.872 -12.487 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.104 -14.144 11.443 1.00 0.00 H new ATOM 732 N ARG A 49 -11.701 -13.008 13.132 1.00 0.00 N ATOM 733 CA ARG A 49 -12.843 -13.259 13.996 1.00 0.00 C ATOM 734 C ARG A 49 -13.810 -14.236 13.326 1.00 0.00 C ATOM 735 O ARG A 49 -14.359 -15.120 13.983 1.00 0.00 O ATOM 736 CB ARG A 49 -13.584 -11.960 14.320 1.00 0.00 C ATOM 737 CG ARG A 49 -13.497 -10.973 13.154 1.00 0.00 C ATOM 738 CD ARG A 49 -14.858 -10.333 12.875 1.00 0.00 C ATOM 739 NE ARG A 49 -14.753 -8.860 12.970 1.00 0.00 N ATOM 740 CZ ARG A 49 -15.796 -8.044 13.180 1.00 0.00 C ATOM 741 NH1 ARG A 49 -17.028 -8.554 13.317 1.00 0.00 N ATOM 742 NH2 ARG A 49 -15.607 -6.720 13.252 1.00 0.00 N ATOM 0 H ARG A 49 -11.418 -12.030 13.072 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.469 -13.692 14.924 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.629 -12.178 14.539 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.158 -11.508 15.216 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.766 -10.197 13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.144 -11.489 12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.206 -10.618 11.882 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.595 -10.700 13.589 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.829 -8.439 12.869 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.172 -9.562 13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.822 -7.934 13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.669 -6.332 13.147 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.401 -6.099 13.412 1.00 0.00 H new ATOM 756 N MET A 50 -13.989 -14.045 12.027 1.00 0.00 N ATOM 757 CA MET A 50 -14.881 -14.899 11.261 1.00 0.00 C ATOM 758 C MET A 50 -14.269 -16.286 11.054 1.00 0.00 C ATOM 759 O MET A 50 -14.982 -17.288 11.039 1.00 0.00 O ATOM 760 CB MET A 50 -15.162 -14.256 9.902 1.00 0.00 C ATOM 761 CG MET A 50 -15.555 -12.786 10.061 1.00 0.00 C ATOM 762 SD MET A 50 -17.333 -12.624 10.036 1.00 0.00 S ATOM 763 CE MET A 50 -17.694 -13.417 8.478 1.00 0.00 C ATOM 0 H MET A 50 -13.532 -13.311 11.486 1.00 0.00 H new ATOM 0 HA MET A 50 -15.811 -15.013 11.818 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.278 -14.333 9.269 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.963 -14.798 9.398 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.159 -12.394 10.998 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.116 -12.195 9.257 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.560 -12.940 8.019 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.834 -13.324 7.815 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.909 -14.472 8.648 1.00 0.00 H new ATOM 773 N ASN A 51 -12.953 -16.299 10.899 1.00 0.00 N ATOM 774 CA ASN A 51 -12.236 -17.546 10.693 1.00 0.00 C ATOM 775 C ASN A 51 -11.067 -17.626 11.676 1.00 0.00 C ATOM 776 O ASN A 51 -10.034 -16.991 11.471 1.00 0.00 O ATOM 777 CB ASN A 51 -11.667 -17.627 9.275 1.00 0.00 C ATOM 778 CG ASN A 51 -12.717 -17.220 8.239 1.00 0.00 C ATOM 779 OD1 ASN A 51 -13.336 -18.046 7.588 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.882 -15.906 8.123 1.00 0.00 N ATOM 0 H ASN A 51 -12.365 -15.466 10.912 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.937 -18.367 10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.797 -16.976 9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.326 -18.643 9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.560 -15.534 7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.331 -15.270 8.699 1.00 0.00 H new ATOM 787 N PRO A 52 -11.275 -18.432 12.752 1.00 0.00 N ATOM 788 CA PRO A 52 -10.250 -18.603 13.768 1.00 0.00 C ATOM 789 C PRO A 52 -9.123 -19.507 13.264 1.00 0.00 C ATOM 790 O PRO A 52 -7.966 -19.094 13.215 1.00 0.00 O ATOM 791 CB PRO A 52 -10.980 -19.178 14.970 1.00 0.00 C ATOM 792 CG PRO A 52 -12.287 -19.740 14.435 1.00 0.00 C ATOM 793 CD PRO A 52 -12.486 -19.199 13.028 1.00 0.00 C ATOM 0 HA PRO A 52 -9.756 -17.667 14.029 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.388 -19.957 15.451 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.164 -18.409 15.720 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.258 -20.830 14.424 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.119 -19.449 15.077 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.616 -20.007 12.308 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.375 -18.571 12.967 1.00 0.00 H new ATOM 801 N ASN A 53 -9.502 -20.724 12.902 1.00 0.00 N ATOM 802 CA ASN A 53 -8.538 -21.691 12.403 1.00 0.00 C ATOM 803 C ASN A 53 -7.638 -21.018 11.366 1.00 0.00 C ATOM 804 O ASN A 53 -6.467 -21.370 11.233 1.00 0.00 O ATOM 805 CB ASN A 53 -9.240 -22.870 11.727 1.00 0.00 C ATOM 806 CG ASN A 53 -10.340 -23.442 12.624 1.00 0.00 C ATOM 807 OD1 ASN A 53 -10.121 -24.338 13.422 1.00 0.00 O ATOM 808 ND2 ASN A 53 -11.530 -22.875 12.449 1.00 0.00 N ATOM 0 H ASN A 53 -10.463 -21.063 12.944 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.957 -22.056 13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.670 -22.547 10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.512 -23.648 11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.329 -23.186 13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.643 -22.129 11.763 1.00 0.00 H new ATOM 815 N SER A 54 -8.218 -20.060 10.657 1.00 0.00 N ATOM 816 CA SER A 54 -7.483 -19.334 9.636 1.00 0.00 C ATOM 817 C SER A 54 -6.091 -18.966 10.155 1.00 0.00 C ATOM 818 O SER A 54 -5.945 -18.025 10.934 1.00 0.00 O ATOM 819 CB SER A 54 -8.238 -18.076 9.202 1.00 0.00 C ATOM 820 OG SER A 54 -7.988 -16.977 10.074 1.00 0.00 O ATOM 0 H SER A 54 -9.189 -19.770 10.770 1.00 0.00 H new ATOM 0 HA SER A 54 -7.380 -19.981 8.765 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.944 -17.808 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.308 -18.285 9.179 1.00 0.00 H new ATOM 0 HG SER A 54 -8.540 -17.066 10.879 1.00 0.00 H new ATOM 826 N PRO A 55 -5.079 -19.747 9.691 1.00 0.00 N ATOM 827 CA PRO A 55 -3.705 -19.512 10.100 1.00 0.00 C ATOM 828 C PRO A 55 -3.126 -18.283 9.397 1.00 0.00 C ATOM 829 O PRO A 55 -2.494 -17.440 10.032 1.00 0.00 O ATOM 830 CB PRO A 55 -2.967 -20.796 9.756 1.00 0.00 C ATOM 831 CG PRO A 55 -3.843 -21.523 8.750 1.00 0.00 C ATOM 832 CD PRO A 55 -5.216 -20.870 8.768 1.00 0.00 C ATOM 0 HA PRO A 55 -3.615 -19.289 11.163 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.985 -20.581 9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.806 -21.405 10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.407 -21.466 7.753 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.920 -22.580 9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.507 -20.532 7.773 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.982 -21.568 9.104 1.00 0.00 H new ATOM 840 N SER A 56 -3.361 -18.220 8.094 1.00 0.00 N ATOM 841 CA SER A 56 -2.871 -17.109 7.298 1.00 0.00 C ATOM 842 C SER A 56 -4.032 -16.444 6.555 1.00 0.00 C ATOM 843 O SER A 56 -3.836 -15.466 5.836 1.00 0.00 O ATOM 844 CB SER A 56 -1.802 -17.571 6.305 1.00 0.00 C ATOM 845 OG SER A 56 -1.333 -16.502 5.489 1.00 0.00 O ATOM 0 H SER A 56 -3.885 -18.921 7.570 1.00 0.00 H new ATOM 0 HA SER A 56 -2.415 -16.383 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.964 -18.005 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.212 -18.358 5.671 1.00 0.00 H new ATOM 0 HG SER A 56 -2.058 -15.859 5.344 1.00 0.00 H new ATOM 851 N ILE A 57 -5.217 -17.002 6.756 1.00 0.00 N ATOM 852 CA ILE A 57 -6.410 -16.476 6.115 1.00 0.00 C ATOM 853 C ILE A 57 -6.304 -16.681 4.602 1.00 0.00 C ATOM 854 O ILE A 57 -5.236 -17.013 4.091 1.00 0.00 O ATOM 855 CB ILE A 57 -6.640 -15.019 6.523 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.815 -14.895 8.038 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.819 -14.415 5.758 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.176 -14.289 8.384 1.00 0.00 C ATOM 0 H ILE A 57 -5.376 -17.813 7.354 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.293 -17.020 6.450 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.754 -14.445 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.722 -15.878 8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.020 -14.273 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.961 -13.379 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.615 -14.450 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.723 -14.985 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.275 -14.212 9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.256 -13.296 7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.968 -14.926 7.992 1.00 0.00 H new ATOM 870 N THR A 58 -7.427 -16.476 3.929 1.00 0.00 N ATOM 871 CA THR A 58 -7.473 -16.635 2.486 1.00 0.00 C ATOM 872 C THR A 58 -8.880 -16.338 1.962 1.00 0.00 C ATOM 873 O THR A 58 -9.868 -16.799 2.531 1.00 0.00 O ATOM 874 CB THR A 58 -6.985 -18.045 2.149 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.189 -17.867 0.980 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.119 -18.964 1.691 1.00 0.00 C ATOM 0 H THR A 58 -8.311 -16.201 4.357 1.00 0.00 H new ATOM 0 HA THR A 58 -6.816 -15.921 1.989 1.00 0.00 H new ATOM 0 HB THR A 58 -6.498 -18.478 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.831 -18.733 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.718 -19.952 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.863 -19.047 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.586 -18.549 0.798 1.00 0.00 H new ATOM 884 N TYR A 59 -8.925 -15.570 0.883 1.00 0.00 N ATOM 885 CA TYR A 59 -10.194 -15.206 0.276 1.00 0.00 C ATOM 886 C TYR A 59 -9.979 -14.513 -1.071 1.00 0.00 C ATOM 887 O TYR A 59 -8.851 -14.426 -1.555 1.00 0.00 O ATOM 888 CB TYR A 59 -10.857 -14.223 1.242 1.00 0.00 C ATOM 889 CG TYR A 59 -9.937 -13.092 1.708 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.787 -11.961 0.933 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.258 -13.204 2.904 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.921 -10.897 1.371 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.392 -12.141 3.343 1.00 0.00 C ATOM 894 CZ TYR A 59 -8.267 -11.039 2.555 1.00 0.00 C ATOM 895 OH TYR A 59 -7.449 -10.035 2.969 1.00 0.00 O ATOM 0 H TYR A 59 -8.103 -15.190 0.414 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.803 -16.093 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.733 -13.790 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.213 -14.771 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.319 -11.873 -0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.376 -14.089 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.794 -10.007 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.854 -12.217 4.276 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.586 -10.106 2.511 1.00 0.00 H new ATOM 905 N ASP A 60 -11.078 -14.037 -1.638 1.00 0.00 N ATOM 906 CA ASP A 60 -11.023 -13.355 -2.919 1.00 0.00 C ATOM 907 C ASP A 60 -10.649 -11.888 -2.695 1.00 0.00 C ATOM 908 O ASP A 60 -11.315 -11.182 -1.940 1.00 0.00 O ATOM 909 CB ASP A 60 -12.382 -13.393 -3.622 1.00 0.00 C ATOM 910 CG ASP A 60 -12.818 -14.776 -4.111 1.00 0.00 C ATOM 911 OD1 ASP A 60 -13.000 -15.654 -3.241 1.00 0.00 O ATOM 912 OD2 ASP A 60 -12.958 -14.923 -5.345 1.00 0.00 O ATOM 0 H ASP A 60 -12.011 -14.110 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.282 -13.860 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.139 -13.011 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.352 -12.715 -4.475 1.00 0.00 H new ATOM 917 N ILE A 61 -9.583 -11.474 -3.365 1.00 0.00 N ATOM 918 CA ILE A 61 -9.112 -10.105 -3.249 1.00 0.00 C ATOM 919 C ILE A 61 -10.208 -9.150 -3.727 1.00 0.00 C ATOM 920 O ILE A 61 -10.215 -7.975 -3.363 1.00 0.00 O ATOM 921 CB ILE A 61 -7.782 -9.931 -3.985 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.662 -9.556 -3.012 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.913 -8.920 -5.125 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.316 -9.467 -3.733 1.00 0.00 C ATOM 0 H ILE A 61 -9.033 -12.063 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.908 -9.861 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.513 -10.887 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.890 -8.600 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.604 -10.298 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.953 -8.816 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.662 -9.268 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.217 -7.954 -4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.538 -9.199 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.080 -10.431 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.370 -8.707 -4.512 1.00 0.00 H new ATOM 936 N SER A 62 -11.107 -9.691 -4.536 1.00 0.00 N ATOM 937 CA SER A 62 -12.205 -8.902 -5.068 1.00 0.00 C ATOM 938 C SER A 62 -13.264 -8.682 -3.985 1.00 0.00 C ATOM 939 O SER A 62 -14.117 -7.806 -4.115 1.00 0.00 O ATOM 940 CB SER A 62 -12.828 -9.579 -6.290 1.00 0.00 C ATOM 941 OG SER A 62 -12.251 -9.117 -7.508 1.00 0.00 O ATOM 0 H SER A 62 -11.097 -10.666 -4.836 1.00 0.00 H new ATOM 0 HA SER A 62 -11.811 -7.936 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.696 -10.658 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.901 -9.389 -6.302 1.00 0.00 H new ATOM 0 HG SER A 62 -12.674 -9.574 -8.265 1.00 0.00 H new ATOM 947 N GLN A 63 -13.175 -9.494 -2.942 1.00 0.00 N ATOM 948 CA GLN A 63 -14.114 -9.399 -1.838 1.00 0.00 C ATOM 949 C GLN A 63 -13.583 -8.441 -0.769 1.00 0.00 C ATOM 950 O GLN A 63 -14.357 -7.736 -0.123 1.00 0.00 O ATOM 951 CB GLN A 63 -14.402 -10.779 -1.243 1.00 0.00 C ATOM 952 CG GLN A 63 -15.368 -10.676 -0.061 1.00 0.00 C ATOM 953 CD GLN A 63 -16.803 -10.981 -0.497 1.00 0.00 C ATOM 954 OE1 GLN A 63 -17.269 -12.108 -0.444 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.475 -9.918 -0.929 1.00 0.00 N ATOM 0 H GLN A 63 -12.467 -10.221 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.054 -9.001 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.827 -11.428 -2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.470 -11.240 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.066 -11.372 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.319 -9.675 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.025 -9.003 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.441 -10.018 -1.242 1.00 0.00 H new ATOM 964 N LEU A 64 -12.267 -8.448 -0.616 1.00 0.00 N ATOM 965 CA LEU A 64 -11.624 -7.589 0.364 1.00 0.00 C ATOM 966 C LEU A 64 -11.867 -6.125 -0.010 1.00 0.00 C ATOM 967 O LEU A 64 -12.172 -5.303 0.852 1.00 0.00 O ATOM 968 CB LEU A 64 -10.144 -7.950 0.503 1.00 0.00 C ATOM 969 CG LEU A 64 -9.170 -6.772 0.582 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.568 -5.806 1.700 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.729 -7.261 0.733 1.00 0.00 C ATOM 0 H LEU A 64 -11.629 -9.034 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.061 -7.743 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.021 -8.558 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.861 -8.573 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.225 -6.219 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.860 -4.978 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.569 -5.420 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.559 -6.331 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.058 -6.404 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.639 -7.851 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.462 -7.878 -0.125 1.00 0.00 H new ATOM 983 N PHE A 65 -11.723 -5.845 -1.297 1.00 0.00 N ATOM 984 CA PHE A 65 -11.923 -4.495 -1.796 1.00 0.00 C ATOM 985 C PHE A 65 -13.387 -4.070 -1.656 1.00 0.00 C ATOM 986 O PHE A 65 -13.679 -2.891 -1.463 1.00 0.00 O ATOM 987 CB PHE A 65 -11.547 -4.505 -3.279 1.00 0.00 C ATOM 988 CG PHE A 65 -10.077 -4.835 -3.545 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.179 -4.813 -2.524 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.668 -5.151 -4.803 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.815 -5.120 -2.771 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.304 -5.457 -5.051 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.406 -5.435 -4.030 1.00 0.00 C ATOM 0 H PHE A 65 -11.470 -6.530 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.313 -3.794 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.172 -5.233 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.773 -3.529 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.503 -4.562 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.381 -5.169 -5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.102 -5.104 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.980 -5.707 -6.050 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.368 -5.668 -4.218 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.268 -5.054 -1.760 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.693 -4.798 -1.647 1.00 0.00 C ATOM 1005 C ASP A 66 -15.953 -3.913 -0.427 1.00 0.00 C ATOM 1006 O ASP A 66 -16.944 -3.185 -0.382 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.475 -6.100 -1.463 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.890 -6.093 -2.044 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.162 -5.189 -2.863 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.666 -6.993 -1.657 1.00 0.00 O ATOM 0 H ASP A 66 -14.022 -6.031 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.021 -4.308 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.913 -6.912 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.537 -6.321 -0.397 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.046 -4.005 0.535 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.165 -3.221 1.753 1.00 0.00 C ATOM 1017 C PHE A 67 -14.555 -1.830 1.572 1.00 0.00 C ATOM 1018 O PHE A 67 -15.040 -0.856 2.147 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.389 -3.967 2.841 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.487 -3.068 3.689 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.033 -2.244 4.623 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.140 -3.093 3.508 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.196 -1.410 5.410 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.302 -2.258 4.295 1.00 0.00 C ATOM 1025 CZ PHE A 67 -11.848 -1.434 5.229 1.00 0.00 C ATOM 0 H PHE A 67 -14.226 -4.610 0.496 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.216 -3.096 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.098 -4.474 3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.778 -4.739 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.103 -2.224 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.707 -3.747 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.630 -0.756 6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.232 -2.278 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.211 -0.799 5.827 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.502 -1.780 0.769 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.822 -0.523 0.505 1.00 0.00 C ATOM 1037 C ILE A 68 -13.826 0.488 -0.051 1.00 0.00 C ATOM 1038 O ILE A 68 -13.803 1.660 0.322 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.611 -0.750 -0.402 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.405 -1.237 0.404 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.289 0.507 -1.212 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.387 -1.935 -0.499 1.00 0.00 C ATOM 0 H ILE A 68 -13.103 -2.589 0.293 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.425 -0.103 1.429 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.861 -1.537 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.933 -0.392 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.737 -1.924 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.424 0.318 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.146 0.769 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.067 1.330 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.540 -2.271 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.856 -2.794 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.039 -1.238 -1.261 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.683 -0.002 -0.934 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.694 0.845 -1.545 1.00 0.00 C ATOM 1056 C ASP A 69 -16.627 1.383 -0.459 1.00 0.00 C ATOM 1057 O ASP A 69 -16.975 2.563 -0.463 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.539 0.058 -2.548 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.174 0.280 -4.017 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -15.076 -0.174 -4.404 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -17.002 0.898 -4.720 1.00 0.00 O ATOM 0 H ASP A 69 -14.699 -0.974 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.185 1.658 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.447 -1.005 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.586 0.324 -2.405 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.007 0.491 0.444 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.894 0.862 1.534 1.00 0.00 C ATOM 1068 C ASP A 70 -17.425 2.186 2.140 1.00 0.00 C ATOM 1069 O ASP A 70 -18.227 3.096 2.347 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.879 -0.195 2.640 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.201 -0.365 3.391 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.506 0.526 4.213 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.878 -1.382 3.125 1.00 0.00 O ATOM 0 H ASP A 70 -16.717 -0.487 0.443 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.903 0.950 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.602 -1.154 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.101 0.064 3.358 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.129 2.253 2.406 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.544 3.451 2.983 1.00 0.00 C ATOM 1080 C LEU A 71 -16.103 4.682 2.267 1.00 0.00 C ATOM 1081 O LEU A 71 -16.615 4.578 1.154 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.017 3.366 2.960 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.392 2.278 3.835 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.884 2.181 3.596 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.725 2.502 5.311 1.00 0.00 C ATOM 0 H LEU A 71 -15.467 1.496 2.232 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.819 3.541 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.698 3.204 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.615 4.330 3.271 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.826 1.320 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.465 1.400 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.696 1.939 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.415 3.135 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.268 1.714 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.338 3.470 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.806 2.481 5.447 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.985 5.820 2.935 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.472 7.070 2.377 1.00 0.00 C ATOM 1099 C ALA A 72 -15.531 7.525 1.259 1.00 0.00 C ATOM 1100 O ALA A 72 -15.983 7.991 0.214 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.601 8.111 3.490 1.00 0.00 C ATOM 0 H ALA A 72 -15.559 5.903 3.858 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.462 6.936 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.966 9.048 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.302 7.753 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.626 8.275 3.950 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.241 7.373 1.517 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.232 7.762 0.546 1.00 0.00 C ATOM 1109 C ASP A 73 -11.842 7.534 1.142 1.00 0.00 C ATOM 1110 O ASP A 73 -11.398 8.294 2.001 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.355 9.245 0.189 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.388 9.732 -0.892 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.241 10.061 -0.521 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -12.818 9.764 -2.065 1.00 0.00 O ATOM 0 H ASP A 73 -13.871 6.986 2.385 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.378 7.161 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.375 9.440 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.195 9.835 1.091 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.193 6.483 0.662 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.862 6.145 1.136 1.00 0.00 C ATOM 1121 C LEU A 74 -8.821 6.696 0.158 1.00 0.00 C ATOM 1122 O LEU A 74 -9.031 6.677 -1.053 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.744 4.638 1.373 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.333 4.054 1.290 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.525 4.389 2.545 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.378 2.548 1.022 1.00 0.00 C ATOM 0 H LEU A 74 -11.564 5.855 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.672 6.613 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.152 4.412 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.371 4.125 0.644 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.822 4.516 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.526 3.962 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.449 5.471 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.024 3.973 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.362 2.158 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.915 2.051 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.889 2.362 0.078 1.00 0.00 H new ATOM 1138 N SER A 75 -7.722 7.174 0.722 1.00 0.00 N ATOM 1139 CA SER A 75 -6.648 7.730 -0.084 1.00 0.00 C ATOM 1140 C SER A 75 -5.294 7.386 0.538 1.00 0.00 C ATOM 1141 O SER A 75 -5.234 6.746 1.587 1.00 0.00 O ATOM 1142 CB SER A 75 -6.796 9.246 -0.229 1.00 0.00 C ATOM 1143 OG SER A 75 -8.078 9.612 -0.730 1.00 0.00 O ATOM 0 H SER A 75 -7.552 7.188 1.728 1.00 0.00 H new ATOM 0 HA SER A 75 -6.705 7.290 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.637 9.720 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.024 9.623 -0.899 1.00 0.00 H new ATOM 0 HG SER A 75 -8.133 10.587 -0.807 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.240 7.825 -0.135 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.891 7.571 0.339 1.00 0.00 C ATOM 1151 C CYS A 76 -1.962 8.625 -0.267 1.00 0.00 C ATOM 1152 O CYS A 76 -2.248 9.170 -1.332 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.433 6.149 0.008 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.574 5.850 -1.792 1.00 0.00 S ATOM 0 H CYS A 76 -4.294 8.355 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.865 7.647 1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.401 6.006 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.040 5.426 0.554 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.736 4.920 -2.144 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.870 8.882 0.438 1.00 0.00 N ATOM 1161 CA LEU A 77 0.102 9.861 -0.017 1.00 0.00 C ATOM 1162 C LEU A 77 1.438 9.163 -0.280 1.00 0.00 C ATOM 1163 O LEU A 77 1.958 8.462 0.587 1.00 0.00 O ATOM 1164 CB LEU A 77 0.199 11.021 0.976 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.064 11.868 1.144 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.687 12.198 -0.214 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.061 11.186 2.081 1.00 0.00 C ATOM 0 H LEU A 77 -0.637 8.429 1.322 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.217 10.305 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.474 10.617 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.012 11.675 0.661 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.782 12.813 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.583 12.801 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.970 12.755 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.952 11.274 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.949 11.809 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.343 10.217 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.603 11.045 3.060 1.00 0.00 H new ATOM 1179 N VAL A 78 1.955 9.379 -1.481 1.00 0.00 N ATOM 1180 CA VAL A 78 3.220 8.779 -1.869 1.00 0.00 C ATOM 1181 C VAL A 78 4.269 9.880 -2.044 1.00 0.00 C ATOM 1182 O VAL A 78 4.059 10.828 -2.798 1.00 0.00 O ATOM 1183 CB VAL A 78 3.032 7.928 -3.127 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.374 7.398 -3.636 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.051 6.782 -2.871 1.00 0.00 C ATOM 0 H VAL A 78 1.521 9.961 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 78 3.579 8.108 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 78 2.608 8.565 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.212 6.797 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.029 8.236 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.839 6.783 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.935 6.192 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.434 6.146 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.084 7.190 -2.577 1.00 0.00 H new ATOM 1195 N TYR A 79 5.375 9.716 -1.333 1.00 0.00 N ATOM 1196 CA TYR A 79 6.457 10.684 -1.400 1.00 0.00 C ATOM 1197 C TYR A 79 7.426 10.346 -2.535 1.00 0.00 C ATOM 1198 O TYR A 79 7.886 9.211 -2.646 1.00 0.00 O ATOM 1199 CB TYR A 79 7.198 10.581 -0.065 1.00 0.00 C ATOM 1200 CG TYR A 79 8.143 11.751 0.214 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.348 11.840 -0.454 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.792 12.718 1.133 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.237 12.941 -0.192 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.681 13.820 1.396 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.860 13.877 0.720 1.00 0.00 C ATOM 1206 OH TYR A 79 10.700 14.917 0.968 1.00 0.00 O ATOM 0 H TYR A 79 5.545 8.928 -0.708 1.00 0.00 H new ATOM 0 HA TYR A 79 6.066 11.684 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.467 10.518 0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.770 9.653 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.624 11.083 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.850 12.649 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.182 13.022 -0.708 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.418 14.583 2.113 1.00 0.00 H new ATOM 0 HH TYR A 79 10.300 15.507 1.640 1.00 0.00 H new ATOM 1216 N ARG A 80 7.707 11.353 -3.349 1.00 0.00 N ATOM 1217 CA ARG A 80 8.613 11.177 -4.472 1.00 0.00 C ATOM 1218 C ARG A 80 9.754 12.193 -4.398 1.00 0.00 C ATOM 1219 O ARG A 80 9.541 13.387 -4.604 1.00 0.00 O ATOM 1220 CB ARG A 80 7.878 11.341 -5.804 1.00 0.00 C ATOM 1221 CG ARG A 80 6.874 12.494 -5.737 1.00 0.00 C ATOM 1222 CD ARG A 80 6.409 12.897 -7.138 1.00 0.00 C ATOM 1223 NE ARG A 80 5.224 12.100 -7.526 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.286 10.882 -8.081 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.477 10.314 -8.316 1.00 0.00 N ATOM 1226 NH2 ARG A 80 4.159 10.233 -8.400 1.00 0.00 N ATOM 0 H ARG A 80 7.324 12.293 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 80 9.018 10.167 -4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.598 11.527 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.359 10.416 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.014 12.198 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.331 13.350 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.166 13.959 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.214 12.741 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 80 4.302 12.503 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.335 10.809 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.525 9.387 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.253 10.666 -8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.207 9.306 -8.822 1.00 0.00 H new ATOM 1240 N ALA A 81 10.940 11.682 -4.102 1.00 0.00 N ATOM 1241 CA ALA A 81 12.115 12.531 -3.998 1.00 0.00 C ATOM 1242 C ALA A 81 12.307 13.292 -5.312 1.00 0.00 C ATOM 1243 O ALA A 81 13.012 14.299 -5.352 1.00 0.00 O ATOM 1244 CB ALA A 81 13.332 11.677 -3.637 1.00 0.00 C ATOM 0 H ALA A 81 11.113 10.691 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 81 11.987 13.268 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.213 12.314 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.158 11.180 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.493 10.928 -4.412 1.00 0.00 H new ATOM 1250 N ASP A 82 11.668 12.781 -6.354 1.00 0.00 N ATOM 1251 CA ASP A 82 11.760 13.400 -7.665 1.00 0.00 C ATOM 1252 C ASP A 82 11.424 14.888 -7.546 1.00 0.00 C ATOM 1253 O ASP A 82 12.219 15.740 -7.939 1.00 0.00 O ATOM 1254 CB ASP A 82 10.767 12.768 -8.643 1.00 0.00 C ATOM 1255 CG ASP A 82 11.332 11.628 -9.492 1.00 0.00 C ATOM 1256 OD1 ASP A 82 11.279 10.477 -9.005 1.00 0.00 O ATOM 1257 OD2 ASP A 82 11.806 11.932 -10.608 1.00 0.00 O ATOM 0 H ASP A 82 11.084 11.945 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 82 12.774 13.255 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.914 12.392 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.391 13.545 -9.309 1.00 0.00 H new ATOM 1262 N THR A 83 10.246 15.155 -7.003 1.00 0.00 N ATOM 1263 CA THR A 83 9.795 16.525 -6.828 1.00 0.00 C ATOM 1264 C THR A 83 9.744 16.883 -5.341 1.00 0.00 C ATOM 1265 O THR A 83 9.583 18.050 -4.985 1.00 0.00 O ATOM 1266 CB THR A 83 8.447 16.674 -7.536 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.707 15.530 -7.117 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.561 16.509 -9.053 1.00 0.00 C ATOM 0 H THR A 83 9.589 14.445 -6.678 1.00 0.00 H new ATOM 0 HA THR A 83 10.493 17.232 -7.277 1.00 0.00 H new ATOM 0 HB THR A 83 8.023 17.652 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.790 15.424 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.577 16.624 -9.506 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.235 17.267 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.953 15.518 -9.283 1.00 0.00 H new ATOM 1276 N GLN A 84 9.883 15.859 -4.513 1.00 0.00 N ATOM 1277 CA GLN A 84 9.854 16.051 -3.073 1.00 0.00 C ATOM 1278 C GLN A 84 8.489 16.587 -2.636 1.00 0.00 C ATOM 1279 O GLN A 84 8.400 17.668 -2.056 1.00 0.00 O ATOM 1280 CB GLN A 84 10.980 16.984 -2.622 1.00 0.00 C ATOM 1281 CG GLN A 84 12.299 16.222 -2.479 1.00 0.00 C ATOM 1282 CD GLN A 84 12.693 16.079 -1.008 1.00 0.00 C ATOM 1283 OE1 GLN A 84 12.382 16.911 -0.171 1.00 0.00 O ATOM 1284 NE2 GLN A 84 13.393 14.980 -0.739 1.00 0.00 N ATOM 0 H GLN A 84 10.016 14.893 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 84 10.013 15.085 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.099 17.792 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.716 17.444 -1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.204 15.235 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.086 16.746 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.620 14.324 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.703 14.793 0.215 1.00 0.00 H new ATOM 1293 N THR A 85 7.460 15.807 -2.932 1.00 0.00 N ATOM 1294 CA THR A 85 6.104 16.189 -2.577 1.00 0.00 C ATOM 1295 C THR A 85 5.255 14.947 -2.301 1.00 0.00 C ATOM 1296 O THR A 85 5.765 13.828 -2.304 1.00 0.00 O ATOM 1297 CB THR A 85 5.551 17.066 -3.702 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.379 17.652 -3.141 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.028 16.245 -4.882 1.00 0.00 C ATOM 0 H THR A 85 7.538 14.912 -3.414 1.00 0.00 H new ATOM 0 HA THR A 85 6.085 16.768 -1.654 1.00 0.00 H new ATOM 0 HB THR A 85 6.330 17.744 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.957 18.238 -3.803 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.647 16.916 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.838 15.643 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.226 15.590 -4.542 1.00 0.00 H new ATOM 1307 N TYR A 86 3.972 15.187 -2.069 1.00 0.00 N ATOM 1308 CA TYR A 86 3.047 14.102 -1.791 1.00 0.00 C ATOM 1309 C TYR A 86 1.946 14.035 -2.852 1.00 0.00 C ATOM 1310 O TYR A 86 1.224 15.008 -3.065 1.00 0.00 O ATOM 1311 CB TYR A 86 2.414 14.423 -0.436 1.00 0.00 C ATOM 1312 CG TYR A 86 1.346 15.518 -0.492 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.721 16.845 -0.558 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.009 15.179 -0.477 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.717 17.875 -0.611 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.996 16.210 -0.530 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.592 17.507 -0.594 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.541 18.480 -0.644 1.00 0.00 O ATOM 0 H TYR A 86 3.552 16.117 -2.068 1.00 0.00 H new ATOM 0 HA TYR A 86 3.568 13.144 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.968 13.515 -0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.198 14.729 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.768 17.110 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.284 14.141 -0.426 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.997 18.917 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.046 15.959 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.431 18.070 -0.626 1.00 0.00 H new ATOM 1328 N GLN A 87 1.852 12.877 -3.490 1.00 0.00 N ATOM 1329 CA GLN A 87 0.852 12.671 -4.523 1.00 0.00 C ATOM 1330 C GLN A 87 -0.375 11.967 -3.941 1.00 0.00 C ATOM 1331 O GLN A 87 -0.312 10.790 -3.590 1.00 0.00 O ATOM 1332 CB GLN A 87 1.432 11.880 -5.697 1.00 0.00 C ATOM 1333 CG GLN A 87 1.321 12.674 -7.001 1.00 0.00 C ATOM 1334 CD GLN A 87 0.320 12.022 -7.957 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.663 11.551 -9.029 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -0.932 12.020 -7.510 1.00 0.00 N ATOM 0 H GLN A 87 2.452 12.072 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 87 0.542 13.645 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.477 11.643 -5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.904 10.932 -5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.009 13.695 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.299 12.734 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.150 12.432 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.674 11.607 -8.074 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.493 12.738 -3.853 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.733 12.200 -3.319 1.00 0.00 C ATOM 1347 C PRO A 88 -3.409 11.274 -4.331 1.00 0.00 C ATOM 1348 O PRO A 88 -3.935 11.733 -5.344 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.573 13.419 -2.975 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.969 14.576 -3.754 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.604 14.136 -4.259 1.00 0.00 C ATOM 0 HA PRO A 88 -2.578 11.578 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.616 13.265 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.553 13.617 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.614 14.852 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.875 15.456 -3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.529 14.241 -5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.807 14.739 -3.824 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.374 9.986 -4.022 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.977 8.991 -4.892 1.00 0.00 C ATOM 1361 C TYR A 89 -5.332 8.534 -4.346 1.00 0.00 C ATOM 1362 O TYR A 89 -5.635 8.745 -3.173 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.017 7.800 -4.900 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.694 8.072 -5.620 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.672 8.874 -6.743 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.523 7.516 -5.146 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.427 9.131 -7.420 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.721 7.773 -5.823 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.708 8.567 -6.926 1.00 0.00 C ATOM 1370 OH TYR A 89 1.884 8.810 -7.566 1.00 0.00 O ATOM 0 H TYR A 89 -2.937 9.609 -3.181 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.142 9.402 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.806 7.510 -3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.510 6.952 -5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.588 9.309 -7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.540 6.888 -4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.395 9.757 -8.299 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.644 7.344 -5.462 1.00 0.00 H new ATOM 0 HH TYR A 89 2.611 8.344 -7.102 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.109 7.916 -5.223 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.424 7.428 -4.844 1.00 0.00 C ATOM 1382 C ASN A 90 -7.288 6.035 -4.226 1.00 0.00 C ATOM 1383 O ASN A 90 -6.205 5.451 -4.236 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.343 7.317 -6.062 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.216 8.566 -6.206 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -8.944 9.613 -5.642 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.276 8.397 -6.991 1.00 0.00 N ATOM 0 H ASN A 90 -5.853 7.742 -6.195 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.853 8.133 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.744 7.182 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.977 6.435 -5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.920 9.171 -7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.445 7.493 -7.433 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.401 5.543 -3.703 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.419 4.229 -3.082 1.00 0.00 C ATOM 1396 C LYS A 91 -8.113 3.166 -4.139 1.00 0.00 C ATOM 1397 O LYS A 91 -7.490 2.149 -3.839 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.742 4.002 -2.348 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.829 3.520 -3.311 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.188 4.122 -2.950 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.719 3.532 -1.642 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.921 4.268 -1.191 1.00 0.00 N ATOM 0 H LYS A 91 -9.297 6.030 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.642 4.156 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.601 3.266 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.060 4.928 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.564 3.797 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.890 2.432 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.097 5.204 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.899 3.932 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.962 2.479 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.947 3.580 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.551 3.621 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.636 5.047 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.421 4.655 -2.017 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.564 3.438 -5.355 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.346 2.518 -6.458 1.00 0.00 C ATOM 1418 C ASP A 92 -6.844 2.273 -6.622 1.00 0.00 C ATOM 1419 O ASP A 92 -6.423 1.156 -6.916 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.877 3.096 -7.771 1.00 0.00 C ATOM 1421 CG ASP A 92 -8.314 2.448 -9.037 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -8.529 1.226 -9.193 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -7.682 3.188 -9.821 1.00 0.00 O ATOM 0 H ASP A 92 -9.080 4.283 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.873 1.591 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.962 2.996 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.655 4.163 -7.797 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.078 3.336 -6.425 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.633 3.250 -6.547 1.00 0.00 C ATOM 1430 C TRP A 93 -4.120 2.318 -5.449 1.00 0.00 C ATOM 1431 O TRP A 93 -3.034 1.752 -5.567 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.995 4.640 -6.498 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.466 4.622 -6.447 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.605 4.874 -7.442 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.648 4.324 -5.296 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.296 4.761 -7.018 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.323 4.416 -5.672 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -2.015 3.988 -3.981 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.741 4.187 -4.791 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.940 3.762 -3.113 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.399 3.850 -3.476 1.00 0.00 C ATOM 0 H TRP A 93 -6.431 4.261 -6.182 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.352 2.835 -7.515 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.312 5.205 -7.374 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.371 5.170 -5.623 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -1.898 5.133 -8.449 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.538 4.904 -7.588 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.045 3.910 -3.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.770 4.266 -5.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.167 3.501 -2.090 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.172 3.659 -2.747 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.925 2.186 -4.404 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.565 1.332 -3.286 1.00 0.00 C ATOM 1454 C ILE A 94 -5.050 -0.093 -3.561 1.00 0.00 C ATOM 1455 O ILE A 94 -4.352 -1.060 -3.260 1.00 0.00 O ATOM 1456 CB ILE A 94 -5.091 1.917 -1.974 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.779 3.412 -1.876 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.553 1.140 -0.771 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.736 4.110 -0.908 1.00 0.00 C ATOM 0 H ILE A 94 -5.825 2.657 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.482 1.285 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.176 1.813 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.751 3.551 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.857 3.869 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.943 1.577 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.868 0.099 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.464 1.190 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.492 5.171 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.761 3.990 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.638 3.667 0.083 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.243 -0.178 -4.131 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.830 -1.468 -4.451 1.00 0.00 C ATOM 1473 C LYS A 95 -5.899 -2.226 -5.400 1.00 0.00 C ATOM 1474 O LYS A 95 -6.039 -3.434 -5.579 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.250 -1.292 -4.992 1.00 0.00 C ATOM 1476 CG LYS A 95 -9.136 -0.563 -3.980 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.618 -0.759 -4.307 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.872 -0.609 -5.809 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.287 -0.906 -6.127 1.00 0.00 N ATOM 0 H LYS A 95 -6.819 0.626 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.930 -2.074 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.220 -0.730 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.679 -2.267 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.929 -0.934 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.897 0.500 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.940 -1.747 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.215 -0.030 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.627 0.405 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.219 -1.283 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.443 -0.800 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.509 -1.881 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.904 -0.246 -5.612 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.970 -1.483 -5.984 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.017 -2.069 -6.910 1.00 0.00 C ATOM 1495 C GLU A 96 -2.765 -2.532 -6.162 1.00 0.00 C ATOM 1496 O GLU A 96 -2.420 -3.712 -6.191 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.657 -1.084 -8.024 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.885 -0.743 -8.871 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.198 -1.867 -9.860 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.334 -2.119 -10.727 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -6.296 -2.451 -9.726 1.00 0.00 O ATOM 0 H GLU A 96 -4.857 -0.480 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.481 -2.939 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.246 -0.173 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.881 -1.514 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.744 -0.576 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.710 0.186 -9.414 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.117 -1.577 -5.510 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.911 -1.871 -4.756 1.00 0.00 C ATOM 1510 C LYS A 97 -1.162 -3.081 -3.853 1.00 0.00 C ATOM 1511 O LYS A 97 -0.433 -4.070 -3.918 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.435 -0.629 -4.000 1.00 0.00 C ATOM 1513 CG LYS A 97 0.882 -0.107 -4.578 1.00 0.00 C ATOM 1514 CD LYS A 97 0.732 0.240 -6.061 1.00 0.00 C ATOM 1515 CE LYS A 97 0.068 1.607 -6.239 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.877 2.463 -7.134 1.00 0.00 N ATOM 0 H LYS A 97 -2.405 -0.599 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.097 -2.138 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.195 0.150 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.304 -0.869 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.201 0.776 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.661 -0.859 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.712 0.243 -6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.137 -0.525 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.932 1.481 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.047 2.091 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.815 3.452 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.869 2.153 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.516 2.387 -8.107 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.194 -2.962 -3.032 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.550 -4.034 -2.117 1.00 0.00 C ATOM 1532 C ILE A 98 -2.433 -5.377 -2.842 1.00 0.00 C ATOM 1533 O ILE A 98 -1.688 -6.256 -2.411 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.931 -3.782 -1.508 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.304 -4.889 -0.519 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.989 -3.608 -2.599 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.523 -4.491 0.315 1.00 0.00 C ATOM 0 H ILE A 98 -2.796 -2.140 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.857 -4.063 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.891 -2.848 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.515 -5.810 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.460 -5.093 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.961 -3.430 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.725 -2.759 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.036 -4.511 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.767 -5.295 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.300 -3.583 0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.372 -4.311 -0.344 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.181 -5.493 -3.929 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.171 -6.713 -4.718 1.00 0.00 C ATOM 1551 C TYR A 99 -1.743 -7.104 -5.105 1.00 0.00 C ATOM 1552 O TYR A 99 -1.304 -8.219 -4.828 1.00 0.00 O ATOM 1553 CB TYR A 99 -3.964 -6.402 -5.988 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.685 -7.361 -7.147 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -2.672 -7.085 -8.043 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -4.447 -8.502 -7.296 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -2.410 -7.988 -9.133 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -4.185 -9.405 -8.387 1.00 0.00 C ATOM 1559 CZ TYR A 99 -3.179 -9.104 -9.252 1.00 0.00 C ATOM 1560 OH TYR A 99 -2.932 -9.957 -10.282 1.00 0.00 O ATOM 0 H TYR A 99 -3.798 -4.762 -4.282 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.599 -7.540 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.028 -6.430 -5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.734 -5.386 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.076 -6.192 -7.926 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -5.240 -8.718 -6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.620 -7.784 -9.841 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.774 -10.301 -8.516 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.558 -10.710 -10.240 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.058 -6.164 -5.739 1.00 0.00 N ATOM 1571 CA VAL A 100 0.311 -6.396 -6.168 1.00 0.00 C ATOM 1572 C VAL A 100 1.172 -6.730 -4.948 1.00 0.00 C ATOM 1573 O VAL A 100 2.178 -7.429 -5.067 1.00 0.00 O ATOM 1574 CB VAL A 100 0.827 -5.186 -6.950 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.253 -5.424 -7.450 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.111 -4.843 -8.110 1.00 0.00 C ATOM 0 H VAL A 100 -1.425 -5.240 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 100 0.360 -7.249 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 100 0.848 -4.333 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.596 -4.549 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.913 -5.597 -6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.268 -6.295 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.278 -3.980 -8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.178 -5.694 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.102 -4.610 -7.720 1.00 0.00 H new ATOM 1586 N LEU A 101 0.747 -6.215 -3.804 1.00 0.00 N ATOM 1587 CA LEU A 101 1.467 -6.450 -2.564 1.00 0.00 C ATOM 1588 C LEU A 101 1.303 -7.915 -2.154 1.00 0.00 C ATOM 1589 O LEU A 101 2.200 -8.498 -1.546 1.00 0.00 O ATOM 1590 CB LEU A 101 1.022 -5.457 -1.489 1.00 0.00 C ATOM 1591 CG LEU A 101 0.970 -5.996 -0.058 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.104 -5.414 0.789 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.402 -5.747 0.572 1.00 0.00 C ATOM 0 H LEU A 101 -0.087 -5.636 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 101 2.534 -6.275 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.698 -4.602 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.031 -5.086 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 101 1.117 -7.075 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.044 -5.813 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.063 -5.685 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.014 -4.328 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.412 -6.140 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.603 -4.676 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.170 -6.248 -0.018 1.00 0.00 H new ATOM 1605 N LEU A 102 0.151 -8.469 -2.504 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.142 -9.854 -2.180 1.00 0.00 C ATOM 1607 C LEU A 102 0.492 -10.765 -3.233 1.00 0.00 C ATOM 1608 O LEU A 102 0.773 -11.932 -2.962 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.650 -10.059 -2.017 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.294 -9.373 -0.811 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.230 -8.885 0.175 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.225 -8.243 -1.255 1.00 0.00 C ATOM 0 H LEU A 102 -0.590 -7.983 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 102 0.298 -10.122 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.145 -9.702 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.846 -11.129 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.906 -10.107 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.714 -8.401 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.644 -9.734 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.573 -8.172 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.670 -7.772 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.656 -7.502 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.014 -8.649 -1.888 1.00 0.00 H new ATOM 1624 N ARG A 103 0.700 -10.198 -4.412 1.00 0.00 N ATOM 1625 CA ARG A 103 1.296 -10.944 -5.506 1.00 0.00 C ATOM 1626 C ARG A 103 2.728 -11.352 -5.153 1.00 0.00 C ATOM 1627 O ARG A 103 3.056 -12.537 -5.147 1.00 0.00 O ATOM 1628 CB ARG A 103 1.312 -10.117 -6.793 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.111 -9.831 -7.279 1.00 0.00 C ATOM 1630 CD ARG A 103 -0.973 -11.094 -7.222 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.199 -12.258 -7.707 1.00 0.00 N ATOM 1632 CZ ARG A 103 -0.565 -13.534 -7.523 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.697 -13.817 -6.864 1.00 0.00 N ATOM 1634 NH2 ARG A 103 0.200 -14.526 -7.998 1.00 0.00 N ATOM 0 H ARG A 103 0.466 -9.230 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 103 0.690 -11.835 -5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.836 -9.177 -6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.864 -10.652 -7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.560 -9.052 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.081 -9.452 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.308 -11.270 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.867 -10.962 -7.832 1.00 0.00 H new ATOM 0 HE ARG A 103 0.668 -12.078 -8.213 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.279 -13.061 -6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.976 -14.788 -6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.061 -14.310 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.079 -15.497 -7.858 1.00 0.00 H new ATOM 1648 N ARG A 104 3.542 -10.346 -4.868 1.00 0.00 N ATOM 1649 CA ARG A 104 4.931 -10.585 -4.515 1.00 0.00 C ATOM 1650 C ARG A 104 5.020 -11.317 -3.174 1.00 0.00 C ATOM 1651 O ARG A 104 5.838 -12.221 -3.009 1.00 0.00 O ATOM 1652 CB ARG A 104 5.710 -9.272 -4.423 1.00 0.00 C ATOM 1653 CG ARG A 104 5.213 -8.420 -3.253 1.00 0.00 C ATOM 1654 CD ARG A 104 5.617 -6.955 -3.431 1.00 0.00 C ATOM 1655 NE ARG A 104 6.759 -6.634 -2.546 1.00 0.00 N ATOM 1656 CZ ARG A 104 8.037 -6.910 -2.839 1.00 0.00 C ATOM 1657 NH1 ARG A 104 8.344 -7.514 -3.995 1.00 0.00 N ATOM 1658 NH2 ARG A 104 9.008 -6.582 -1.976 1.00 0.00 N ATOM 0 H ARG A 104 3.266 -9.364 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 104 5.370 -11.201 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.772 -9.483 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.603 -8.715 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.128 -8.495 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.624 -8.803 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.888 -6.767 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.773 -6.306 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 104 6.561 -6.174 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.605 -7.764 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 104 9.317 -7.724 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.774 -6.122 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.981 -6.792 -2.199 1.00 0.00 H new ATOM 1672 N GLN A 105 4.166 -10.900 -2.251 1.00 0.00 N ATOM 1673 CA GLN A 105 4.137 -11.505 -0.930 1.00 0.00 C ATOM 1674 C GLN A 105 4.087 -13.030 -1.045 1.00 0.00 C ATOM 1675 O GLN A 105 4.679 -13.737 -0.232 1.00 0.00 O ATOM 1676 CB GLN A 105 2.958 -10.977 -0.111 1.00 0.00 C ATOM 1677 CG GLN A 105 3.397 -9.839 0.813 1.00 0.00 C ATOM 1678 CD GLN A 105 2.999 -10.125 2.262 1.00 0.00 C ATOM 1679 OE1 GLN A 105 3.334 -11.149 2.835 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.266 -9.166 2.821 1.00 0.00 N ATOM 0 H GLN A 105 3.489 -10.150 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 105 5.052 -11.230 -0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.174 -10.624 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.531 -11.786 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.477 -9.709 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.943 -8.904 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.021 -8.334 2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.949 -9.263 3.786 1.00 0.00 H new