USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=30 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 40 CYS SG : rot -36:sc= -2! USER MOD Set 1.2: A 59 TYR OH : rot -53:sc= 0.674 USER MOD Set 2.1: A 35 CYS SG : rot 180:sc= -3.61! USER MOD Set 2.2: A 36 MET CE :methyl -125:sc= -2.03 (180deg=-5!) USER MOD Set 3.1: A 31 SER OG : rot -136:sc= 0.172 USER MOD Set 3.2: A 33 ASN : amide:sc= -5.09 X(o=-4.9,f=-4.7!) USER MOD Single : A 11 THR OG1 : rot 38:sc= 0.218 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.32 F(o=-4!,f=-1.3) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00814 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 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 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 153:sc= -3.44! (180deg=-4.97!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.593 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.0963 F(o=-0.73,f=-0.096) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.527 (180deg=-2.35!) USER MOD Single : A 51 ASN : amide:sc= -0.89 X(o=-0.89,f=-0.43) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.147 F(o=-0.71,f=-0.15) USER MOD Single : A 54 SER OG : rot -124:sc= 0.409 USER MOD Single : A 56 SER OG : rot -20:sc= 0.641 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= -0.0657 K(o=-0.066,f=-1.6!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 76 CYS SG : rot 100:sc= -8.17! USER MOD Single : A 79 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 83 THR OG1 : rot -66:sc= -2 USER MOD Single : A 84 GLN : amide:sc= -0.0798 X(o=-0.08,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.23) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.319 K(o=0.32,f=-3.8!) USER MOD Single : A 91 LYS NZ :NH3+ 150:sc= 0.357 (180deg=-0.774) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= -0.0552! (180deg=-0.568!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.263 7.209 3.595 1.00 0.00 N ATOM 121 CA THR A 11 3.916 7.038 3.078 1.00 0.00 C ATOM 122 C THR A 11 2.885 7.288 4.180 1.00 0.00 C ATOM 123 O THR A 11 3.158 7.052 5.356 1.00 0.00 O ATOM 124 CB THR A 11 3.820 5.640 2.462 1.00 0.00 C ATOM 125 OG1 THR A 11 4.769 5.663 1.399 1.00 0.00 O ATOM 126 CG2 THR A 11 2.481 5.399 1.762 1.00 0.00 C ATOM 0 HA THR A 11 3.696 7.768 2.299 1.00 0.00 H new ATOM 0 HB THR A 11 3.962 4.890 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.555 6.180 1.673 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.465 4.393 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.670 5.505 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.353 6.128 0.962 1.00 0.00 H new ATOM 134 N ILE A 12 1.722 7.764 3.761 1.00 0.00 N ATOM 135 CA ILE A 12 0.649 8.049 4.698 1.00 0.00 C ATOM 136 C ILE A 12 -0.586 7.229 4.318 1.00 0.00 C ATOM 137 O ILE A 12 -1.048 7.287 3.180 1.00 0.00 O ATOM 138 CB ILE A 12 0.387 9.555 4.771 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.697 10.332 4.917 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.603 9.886 5.890 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.506 11.803 4.542 1.00 0.00 C ATOM 0 H ILE A 12 1.499 7.960 2.785 1.00 0.00 H new ATOM 0 HA ILE A 12 0.935 7.748 5.706 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.071 9.868 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.055 10.258 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.461 9.887 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.772 10.962 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.548 9.376 5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.196 9.556 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.452 12.333 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.171 11.874 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.759 12.251 5.197 1.00 0.00 H new ATOM 153 N LEU A 13 -1.085 6.484 5.294 1.00 0.00 N ATOM 154 CA LEU A 13 -2.256 5.653 5.076 1.00 0.00 C ATOM 155 C LEU A 13 -3.357 6.063 6.057 1.00 0.00 C ATOM 156 O LEU A 13 -3.126 6.124 7.264 1.00 0.00 O ATOM 157 CB LEU A 13 -1.884 4.171 5.154 1.00 0.00 C ATOM 158 CG LEU A 13 -2.915 3.190 4.592 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.927 2.784 5.665 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.597 3.763 3.348 1.00 0.00 C ATOM 0 H LEU A 13 -0.699 6.439 6.237 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.650 5.806 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.944 4.024 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.702 3.917 6.198 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.392 2.285 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.648 2.087 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.406 2.306 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.449 3.670 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.325 3.046 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.104 4.692 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.848 3.960 2.581 1.00 0.00 H new ATOM 172 N LEU A 14 -4.529 6.333 5.503 1.00 0.00 N ATOM 173 CA LEU A 14 -5.666 6.735 6.314 1.00 0.00 C ATOM 174 C LEU A 14 -6.868 5.854 5.972 1.00 0.00 C ATOM 175 O LEU A 14 -6.739 4.881 5.230 1.00 0.00 O ATOM 176 CB LEU A 14 -5.935 8.233 6.152 1.00 0.00 C ATOM 177 CG LEU A 14 -4.968 8.995 5.245 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.541 8.938 5.794 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.048 8.483 3.805 1.00 0.00 C ATOM 0 H LEU A 14 -4.717 6.281 4.502 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.452 6.585 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.945 8.360 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.915 8.694 7.139 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.267 10.043 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.874 9.488 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.515 9.386 6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.216 7.899 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.350 9.042 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.789 7.424 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.061 8.618 3.427 1.00 0.00 H new ATOM 191 N VAL A 15 -8.011 6.225 6.530 1.00 0.00 N ATOM 192 CA VAL A 15 -9.236 5.480 6.294 1.00 0.00 C ATOM 193 C VAL A 15 -10.439 6.377 6.590 1.00 0.00 C ATOM 194 O VAL A 15 -10.576 6.891 7.700 1.00 0.00 O ATOM 195 CB VAL A 15 -9.233 4.192 7.120 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.594 3.959 7.778 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.826 2.992 6.263 1.00 0.00 C ATOM 0 H VAL A 15 -8.115 7.032 7.145 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.304 5.180 5.248 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.493 4.304 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.564 3.037 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.828 4.796 8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.361 3.878 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.832 2.090 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.531 2.877 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.825 3.153 5.864 1.00 0.00 H new ATOM 207 N GLN A 16 -11.280 6.538 5.579 1.00 0.00 N ATOM 208 CA GLN A 16 -12.467 7.365 5.718 1.00 0.00 C ATOM 209 C GLN A 16 -13.717 6.566 5.343 1.00 0.00 C ATOM 210 O GLN A 16 -14.060 6.459 4.166 1.00 0.00 O ATOM 211 CB GLN A 16 -12.353 8.634 4.871 1.00 0.00 C ATOM 212 CG GLN A 16 -13.590 9.519 5.041 1.00 0.00 C ATOM 213 CD GLN A 16 -13.781 9.920 6.505 1.00 0.00 C ATOM 214 OE1 GLN A 16 -14.723 9.226 7.137 1.00 0.00 O flip ATOM 215 NE2 GLN A 16 -13.118 10.801 7.025 1.00 0.00 N flip ATOM 0 H GLN A 16 -11.163 6.110 4.661 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.554 7.670 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.461 9.190 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.235 8.366 3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.489 10.413 4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.473 8.987 4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.410 11.295 6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.271 11.044 8.004 1.00 0.00 H new ATOM 224 N PRO A 17 -14.381 6.011 6.392 1.00 0.00 N ATOM 225 CA PRO A 17 -15.585 5.225 6.184 1.00 0.00 C ATOM 226 C PRO A 17 -16.779 6.126 5.861 1.00 0.00 C ATOM 227 O PRO A 17 -17.480 5.903 4.875 1.00 0.00 O ATOM 228 CB PRO A 17 -15.767 4.436 7.471 1.00 0.00 C ATOM 229 CG PRO A 17 -14.931 5.152 8.520 1.00 0.00 C ATOM 230 CD PRO A 17 -14.003 6.116 7.798 1.00 0.00 C ATOM 0 HA PRO A 17 -15.507 4.554 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.816 4.403 7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.438 3.404 7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.573 5.690 9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.356 4.434 9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.126 7.135 8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.958 5.847 7.948 1.00 0.00 H new ATOM 238 N THR A 18 -16.973 7.124 6.711 1.00 0.00 N ATOM 239 CA THR A 18 -18.070 8.059 6.528 1.00 0.00 C ATOM 240 C THR A 18 -17.538 9.427 6.095 1.00 0.00 C ATOM 241 O THR A 18 -16.529 9.511 5.396 1.00 0.00 O ATOM 242 CB THR A 18 -18.874 8.104 7.828 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.965 8.649 8.781 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.190 6.709 8.371 1.00 0.00 C ATOM 0 H THR A 18 -16.389 7.305 7.528 1.00 0.00 H new ATOM 0 HA THR A 18 -18.736 7.736 5.728 1.00 0.00 H new ATOM 0 HB THR A 18 -19.804 8.647 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.406 8.715 9.654 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.762 6.799 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.774 6.156 7.635 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.260 6.177 8.571 1.00 0.00 H new ATOM 252 N LYS A 19 -18.240 10.463 6.527 1.00 0.00 N ATOM 253 CA LYS A 19 -17.851 11.823 6.193 1.00 0.00 C ATOM 254 C LYS A 19 -17.292 12.510 7.440 1.00 0.00 C ATOM 255 O LYS A 19 -16.442 13.394 7.338 1.00 0.00 O ATOM 256 CB LYS A 19 -19.020 12.572 5.551 1.00 0.00 C ATOM 257 CG LYS A 19 -18.729 12.888 4.082 1.00 0.00 C ATOM 258 CD LYS A 19 -19.533 11.975 3.155 1.00 0.00 C ATOM 259 CE LYS A 19 -18.708 11.574 1.930 1.00 0.00 C ATOM 260 NZ LYS A 19 -19.320 12.112 0.694 1.00 0.00 N ATOM 0 H LYS A 19 -19.077 10.389 7.106 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.056 11.819 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.926 11.971 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.207 13.498 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.975 13.930 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.664 12.766 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.843 11.082 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.442 12.485 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.690 11.949 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.643 10.488 1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.748 11.831 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.283 11.734 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.359 13.150 0.749 1.00 0.00 H new ATOM 274 N ARG A 20 -17.790 12.077 8.589 1.00 0.00 N ATOM 275 CA ARG A 20 -17.350 12.640 9.855 1.00 0.00 C ATOM 276 C ARG A 20 -15.868 12.337 10.084 1.00 0.00 C ATOM 277 O ARG A 20 -15.366 11.304 9.642 1.00 0.00 O ATOM 278 CB ARG A 20 -18.165 12.077 11.021 1.00 0.00 C ATOM 279 CG ARG A 20 -19.633 12.495 10.916 1.00 0.00 C ATOM 280 CD ARG A 20 -19.848 13.893 11.500 1.00 0.00 C ATOM 281 NE ARG A 20 -21.248 14.323 11.281 1.00 0.00 N ATOM 282 CZ ARG A 20 -21.749 14.672 10.089 1.00 0.00 C ATOM 283 NH1 ARG A 20 -20.969 14.644 9.000 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.031 15.049 9.985 1.00 0.00 N ATOM 0 H ARG A 20 -18.494 11.343 8.670 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.501 13.719 9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.092 10.989 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.749 12.431 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.945 12.481 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.258 11.776 11.445 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.623 13.889 12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.164 14.601 11.032 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.870 14.355 12.089 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.993 14.357 9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.351 14.910 8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.625 15.070 10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.412 15.315 9.077 1.00 0.00 H new ATOM 298 N PRO A 21 -15.192 13.279 10.794 1.00 0.00 N ATOM 299 CA PRO A 21 -13.777 13.123 11.087 1.00 0.00 C ATOM 300 C PRO A 21 -13.557 12.085 12.190 1.00 0.00 C ATOM 301 O PRO A 21 -12.424 11.693 12.461 1.00 0.00 O ATOM 302 CB PRO A 21 -13.300 14.513 11.476 1.00 0.00 C ATOM 303 CG PRO A 21 -14.552 15.298 11.836 1.00 0.00 C ATOM 304 CD PRO A 21 -15.753 14.514 11.334 1.00 0.00 C ATOM 0 HA PRO A 21 -13.210 12.746 10.236 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.611 14.468 12.320 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.765 14.987 10.653 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.615 15.443 12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.526 16.288 11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.457 14.309 12.140 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.297 15.069 10.570 1.00 0.00 H new ATOM 312 N GLU A 22 -14.660 11.671 12.796 1.00 0.00 N ATOM 313 CA GLU A 22 -14.602 10.686 13.863 1.00 0.00 C ATOM 314 C GLU A 22 -14.344 9.293 13.287 1.00 0.00 C ATOM 315 O GLU A 22 -15.276 8.610 12.863 1.00 0.00 O ATOM 316 CB GLU A 22 -15.884 10.705 14.698 1.00 0.00 C ATOM 317 CG GLU A 22 -15.679 11.481 16.000 1.00 0.00 C ATOM 318 CD GLU A 22 -16.932 11.421 16.877 1.00 0.00 C ATOM 319 OE1 GLU A 22 -17.912 12.107 16.516 1.00 0.00 O ATOM 320 OE2 GLU A 22 -16.881 10.689 17.890 1.00 0.00 O ATOM 0 H GLU A 22 -15.599 11.999 12.569 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.774 10.944 14.523 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.690 11.160 14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.190 9.684 14.924 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.830 11.068 16.544 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.438 12.520 15.774 1.00 0.00 H new ATOM 327 N GLY A 23 -13.075 8.912 13.289 1.00 0.00 N ATOM 328 CA GLY A 23 -12.683 7.612 12.771 1.00 0.00 C ATOM 329 C GLY A 23 -11.490 7.737 11.822 1.00 0.00 C ATOM 330 O GLY A 23 -10.913 6.732 11.408 1.00 0.00 O ATOM 0 H GLY A 23 -12.305 9.481 13.641 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.427 6.949 13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.523 7.157 12.247 1.00 0.00 H new ATOM 334 N ARG A 24 -11.155 8.979 11.504 1.00 0.00 N ATOM 335 CA ARG A 24 -10.040 9.249 10.612 1.00 0.00 C ATOM 336 C ARG A 24 -8.715 9.141 11.369 1.00 0.00 C ATOM 337 O ARG A 24 -8.580 9.675 12.469 1.00 0.00 O ATOM 338 CB ARG A 24 -10.155 10.643 9.993 1.00 0.00 C ATOM 339 CG ARG A 24 -9.768 11.725 11.004 1.00 0.00 C ATOM 340 CD ARG A 24 -10.290 13.095 10.568 1.00 0.00 C ATOM 341 NE ARG A 24 -10.274 14.031 11.714 1.00 0.00 N ATOM 342 CZ ARG A 24 -10.374 15.362 11.599 1.00 0.00 C ATOM 343 NH1 ARG A 24 -10.497 15.922 10.387 1.00 0.00 N ATOM 344 NH2 ARG A 24 -10.350 16.134 12.694 1.00 0.00 N ATOM 0 H ARG A 24 -11.636 9.810 11.848 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.067 8.507 9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.509 10.711 9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.176 10.809 9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.172 11.473 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.683 11.761 11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.674 13.487 9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.304 13.000 10.179 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.181 13.638 12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.514 15.335 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.573 16.935 10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.256 15.708 13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.426 17.147 12.605 1.00 0.00 H new ATOM 358 N THR A 25 -7.771 8.448 10.750 1.00 0.00 N ATOM 359 CA THR A 25 -6.462 8.264 11.352 1.00 0.00 C ATOM 360 C THR A 25 -5.382 8.195 10.270 1.00 0.00 C ATOM 361 O THR A 25 -5.660 7.815 9.134 1.00 0.00 O ATOM 362 CB THR A 25 -6.518 7.014 12.234 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.281 7.033 12.942 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.463 5.720 11.420 1.00 0.00 C ATOM 0 H THR A 25 -7.887 8.007 9.838 1.00 0.00 H new ATOM 0 HA THR A 25 -6.194 9.112 11.982 1.00 0.00 H new ATOM 0 HB THR A 25 -7.432 7.030 12.828 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.234 6.257 13.539 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.506 4.864 12.094 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.310 5.685 10.735 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.534 5.687 10.851 1.00 0.00 H new ATOM 372 N TYR A 26 -4.173 8.570 10.662 1.00 0.00 N ATOM 373 CA TYR A 26 -3.050 8.556 9.739 1.00 0.00 C ATOM 374 C TYR A 26 -1.880 7.754 10.313 1.00 0.00 C ATOM 375 O TYR A 26 -1.679 7.723 11.526 1.00 0.00 O ATOM 376 CB TYR A 26 -2.622 10.015 9.575 1.00 0.00 C ATOM 377 CG TYR A 26 -3.789 10.997 9.455 1.00 0.00 C ATOM 378 CD1 TYR A 26 -4.704 10.859 8.432 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.926 12.021 10.370 1.00 0.00 C ATOM 380 CE1 TYR A 26 -5.803 11.783 8.319 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.025 12.945 10.258 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.909 12.781 9.238 1.00 0.00 C ATOM 383 OH TYR A 26 -6.946 13.653 9.131 1.00 0.00 O ATOM 0 H TYR A 26 -3.946 8.885 11.605 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.335 8.095 8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.007 10.300 10.428 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.995 10.101 8.687 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.596 10.058 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.209 12.129 11.170 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.526 11.686 7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.144 13.750 10.968 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.896 14.311 9.855 1.00 0.00 H new ATOM 393 N ALA A 27 -1.137 7.127 9.413 1.00 0.00 N ATOM 394 CA ALA A 27 0.008 6.327 9.813 1.00 0.00 C ATOM 395 C ALA A 27 1.254 6.824 9.077 1.00 0.00 C ATOM 396 O ALA A 27 1.169 7.722 8.242 1.00 0.00 O ATOM 397 CB ALA A 27 -0.280 4.849 9.541 1.00 0.00 C ATOM 0 H ALA A 27 -1.306 7.157 8.408 1.00 0.00 H new ATOM 0 HA ALA A 27 0.193 6.431 10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.579 4.250 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.156 4.538 10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.469 4.705 8.477 1.00 0.00 H new ATOM 403 N ASP A 28 2.382 6.216 9.413 1.00 0.00 N ATOM 404 CA ASP A 28 3.644 6.585 8.794 1.00 0.00 C ATOM 405 C ASP A 28 4.494 5.329 8.591 1.00 0.00 C ATOM 406 O ASP A 28 4.869 4.666 9.557 1.00 0.00 O ATOM 407 CB ASP A 28 4.432 7.550 9.682 1.00 0.00 C ATOM 408 CG ASP A 28 4.478 7.174 11.165 1.00 0.00 C ATOM 409 OD1 ASP A 28 5.415 6.434 11.534 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.574 7.635 11.895 1.00 0.00 O ATOM 0 H ASP A 28 2.449 5.470 10.106 1.00 0.00 H new ATOM 0 HA ASP A 28 3.424 7.069 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.453 7.613 9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.996 8.545 9.588 1.00 0.00 H new ATOM 415 N TYR A 29 4.773 5.040 7.329 1.00 0.00 N ATOM 416 CA TYR A 29 5.572 3.876 6.986 1.00 0.00 C ATOM 417 C TYR A 29 6.847 4.284 6.245 1.00 0.00 C ATOM 418 O TYR A 29 7.084 5.469 6.017 1.00 0.00 O ATOM 419 CB TYR A 29 4.704 3.028 6.055 1.00 0.00 C ATOM 420 CG TYR A 29 3.516 2.359 6.749 1.00 0.00 C ATOM 421 CD1 TYR A 29 3.703 1.198 7.471 1.00 0.00 C ATOM 422 CD2 TYR A 29 2.257 2.917 6.653 1.00 0.00 C ATOM 423 CE1 TYR A 29 2.584 0.569 8.125 1.00 0.00 C ATOM 424 CE2 TYR A 29 1.139 2.288 7.307 1.00 0.00 C ATOM 425 CZ TYR A 29 1.358 1.145 8.010 1.00 0.00 C ATOM 426 OH TYR A 29 0.301 0.550 8.627 1.00 0.00 O ATOM 0 H TYR A 29 4.460 5.592 6.531 1.00 0.00 H new ATOM 0 HA TYR A 29 5.870 3.337 7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.332 3.659 5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.325 2.258 5.597 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.688 0.761 7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.111 3.825 6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.716 -0.340 8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.149 2.714 7.241 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.511 1.072 8.460 1.00 0.00 H new ATOM 436 N GLU A 30 7.634 3.279 5.889 1.00 0.00 N ATOM 437 CA GLU A 30 8.878 3.518 5.178 1.00 0.00 C ATOM 438 C GLU A 30 8.743 3.093 3.715 1.00 0.00 C ATOM 439 O GLU A 30 9.349 3.698 2.831 1.00 0.00 O ATOM 440 CB GLU A 30 10.044 2.794 5.854 1.00 0.00 C ATOM 441 CG GLU A 30 9.771 1.292 5.957 1.00 0.00 C ATOM 442 CD GLU A 30 10.992 0.549 6.502 1.00 0.00 C ATOM 443 OE1 GLU A 30 11.405 0.887 7.633 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.486 -0.340 5.776 1.00 0.00 O ATOM 0 H GLU A 30 7.434 2.297 6.080 1.00 0.00 H new ATOM 0 HA GLU A 30 9.091 4.587 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.959 2.963 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.205 3.207 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.914 1.118 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.510 0.898 4.975 1.00 0.00 H new ATOM 451 N SER A 31 7.946 2.057 3.504 1.00 0.00 N ATOM 452 CA SER A 31 7.724 1.544 2.162 1.00 0.00 C ATOM 453 C SER A 31 6.239 1.639 1.805 1.00 0.00 C ATOM 454 O SER A 31 5.397 1.832 2.680 1.00 0.00 O ATOM 455 CB SER A 31 8.209 0.098 2.038 1.00 0.00 C ATOM 456 OG SER A 31 8.882 -0.135 0.805 1.00 0.00 O ATOM 0 H SER A 31 7.445 1.558 4.239 1.00 0.00 H new ATOM 0 HA SER A 31 8.299 2.152 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.880 -0.132 2.866 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.358 -0.578 2.120 1.00 0.00 H new ATOM 0 HG SER A 31 8.583 -0.988 0.425 1.00 0.00 H new ATOM 462 N VAL A 32 5.963 1.497 0.517 1.00 0.00 N ATOM 463 CA VAL A 32 4.595 1.564 0.033 1.00 0.00 C ATOM 464 C VAL A 32 3.887 0.242 0.333 1.00 0.00 C ATOM 465 O VAL A 32 2.754 0.235 0.812 1.00 0.00 O ATOM 466 CB VAL A 32 4.583 1.925 -1.454 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.286 1.461 -2.120 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.797 3.426 -1.657 1.00 0.00 C ATOM 0 H VAL A 32 6.664 1.336 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 32 4.045 2.351 0.549 1.00 0.00 H new ATOM 0 HB VAL A 32 5.411 1.402 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.303 1.730 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.194 0.379 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.436 1.943 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.784 3.655 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.001 3.978 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.759 3.717 -1.235 1.00 0.00 H new ATOM 478 N ASN A 33 4.584 -0.846 0.039 1.00 0.00 N ATOM 479 CA ASN A 33 4.036 -2.171 0.271 1.00 0.00 C ATOM 480 C ASN A 33 3.476 -2.245 1.693 1.00 0.00 C ATOM 481 O ASN A 33 2.443 -2.871 1.926 1.00 0.00 O ATOM 482 CB ASN A 33 5.116 -3.246 0.132 1.00 0.00 C ATOM 483 CG ASN A 33 6.152 -3.130 1.253 1.00 0.00 C ATOM 484 OD1 ASN A 33 7.197 -2.519 1.106 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.804 -3.749 2.377 1.00 0.00 N ATOM 0 H ASN A 33 5.524 -0.837 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 33 3.255 -2.347 -0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.656 -4.234 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.609 -3.149 -0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.428 -3.730 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.913 -4.243 2.433 1.00 0.00 H new ATOM 492 N GLU A 34 4.182 -1.596 2.607 1.00 0.00 N ATOM 493 CA GLU A 34 3.768 -1.580 4.000 1.00 0.00 C ATOM 494 C GLU A 34 2.424 -0.865 4.146 1.00 0.00 C ATOM 495 O GLU A 34 1.546 -1.328 4.872 1.00 0.00 O ATOM 496 CB GLU A 34 4.835 -0.927 4.881 1.00 0.00 C ATOM 497 CG GLU A 34 6.193 -1.607 4.694 1.00 0.00 C ATOM 498 CD GLU A 34 6.258 -2.925 5.468 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.446 -3.072 6.408 1.00 0.00 O ATOM 500 OE2 GLU A 34 7.117 -3.756 5.103 1.00 0.00 O ATOM 0 H GLU A 34 5.038 -1.077 2.410 1.00 0.00 H new ATOM 0 HA GLU A 34 3.647 -2.610 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.917 0.131 4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.535 -0.988 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.367 -1.795 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.987 -0.942 5.034 1.00 0.00 H new ATOM 507 N CYS A 35 2.305 0.253 3.444 1.00 0.00 N ATOM 508 CA CYS A 35 1.082 1.037 3.487 1.00 0.00 C ATOM 509 C CYS A 35 -0.090 0.118 3.137 1.00 0.00 C ATOM 510 O CYS A 35 -1.029 -0.022 3.920 1.00 0.00 O ATOM 511 CB CYS A 35 1.154 2.249 2.556 1.00 0.00 C ATOM 512 SG CYS A 35 -0.520 2.943 2.300 1.00 0.00 S ATOM 0 H CYS A 35 3.035 0.634 2.843 1.00 0.00 H new ATOM 0 HA CYS A 35 0.940 1.440 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.810 3.008 2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.586 1.957 1.599 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.447 3.973 1.510 1.00 0.00 H new ATOM 518 N MET A 36 0.003 -0.485 1.961 1.00 0.00 N ATOM 519 CA MET A 36 -1.039 -1.387 1.498 1.00 0.00 C ATOM 520 C MET A 36 -1.567 -2.250 2.646 1.00 0.00 C ATOM 521 O MET A 36 -2.761 -2.235 2.940 1.00 0.00 O ATOM 522 CB MET A 36 -0.480 -2.290 0.397 1.00 0.00 C ATOM 523 CG MET A 36 -0.537 -1.593 -0.965 1.00 0.00 C ATOM 524 SD MET A 36 0.908 -0.570 -1.188 1.00 0.00 S ATOM 525 CE MET A 36 0.130 1.021 -1.411 1.00 0.00 C ATOM 0 H MET A 36 0.783 -0.367 1.315 1.00 0.00 H new ATOM 0 HA MET A 36 -1.863 -0.790 1.108 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.551 -2.558 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.050 -3.218 0.359 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.593 -2.336 -1.761 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.438 -0.984 -1.034 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.467 1.463 -2.349 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.953 0.896 -1.437 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.400 1.677 -0.583 1.00 0.00 H new ATOM 535 N GLU A 37 -0.651 -2.981 3.265 1.00 0.00 N ATOM 536 CA GLU A 37 -1.010 -3.848 4.374 1.00 0.00 C ATOM 537 C GLU A 37 -2.063 -3.174 5.256 1.00 0.00 C ATOM 538 O GLU A 37 -3.147 -3.718 5.460 1.00 0.00 O ATOM 539 CB GLU A 37 0.225 -4.231 5.192 1.00 0.00 C ATOM 540 CG GLU A 37 0.420 -5.749 5.212 1.00 0.00 C ATOM 541 CD GLU A 37 1.221 -6.183 6.441 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.305 -5.596 6.649 1.00 0.00 O ATOM 543 OE2 GLU A 37 0.731 -7.092 7.145 1.00 0.00 O ATOM 0 H GLU A 37 0.339 -2.990 3.019 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.437 -4.765 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.108 -3.753 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.119 -3.861 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.551 -6.244 5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.938 -6.065 4.306 1.00 0.00 H new ATOM 550 N GLY A 38 -1.708 -1.999 5.755 1.00 0.00 N ATOM 551 CA GLY A 38 -2.609 -1.245 6.609 1.00 0.00 C ATOM 552 C GLY A 38 -4.056 -1.378 6.132 1.00 0.00 C ATOM 553 O GLY A 38 -4.981 -1.404 6.943 1.00 0.00 O ATOM 0 H GLY A 38 -0.808 -1.551 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.527 -1.602 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.319 -0.194 6.612 1.00 0.00 H new ATOM 557 N VAL A 39 -4.208 -1.458 4.818 1.00 0.00 N ATOM 558 CA VAL A 39 -5.527 -1.588 4.224 1.00 0.00 C ATOM 559 C VAL A 39 -5.979 -3.047 4.307 1.00 0.00 C ATOM 560 O VAL A 39 -6.937 -3.365 5.010 1.00 0.00 O ATOM 561 CB VAL A 39 -5.511 -1.048 2.792 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.847 -1.309 2.093 1.00 0.00 C ATOM 563 CG2 VAL A 39 -5.163 0.441 2.771 1.00 0.00 C ATOM 0 H VAL A 39 -3.439 -1.435 4.148 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.254 -0.991 4.775 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.735 -1.581 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.809 -0.916 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.037 -2.382 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.648 -0.816 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.159 0.799 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.905 0.996 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.177 0.591 3.211 1.00 0.00 H new ATOM 573 N CYS A 40 -5.266 -3.896 3.581 1.00 0.00 N ATOM 574 CA CYS A 40 -5.581 -5.315 3.565 1.00 0.00 C ATOM 575 C CYS A 40 -5.914 -5.750 4.993 1.00 0.00 C ATOM 576 O CYS A 40 -6.913 -6.431 5.222 1.00 0.00 O ATOM 577 CB CYS A 40 -4.441 -6.141 2.968 1.00 0.00 C ATOM 578 SG CYS A 40 -5.103 -7.675 2.222 1.00 0.00 S ATOM 0 H CYS A 40 -4.472 -3.629 3.000 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.444 -5.491 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.915 -5.557 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.715 -6.388 3.743 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.099 -8.109 2.935 1.00 0.00 H new ATOM 584 N LYS A 41 -5.059 -5.338 5.918 1.00 0.00 N ATOM 585 CA LYS A 41 -5.249 -5.677 7.318 1.00 0.00 C ATOM 586 C LYS A 41 -6.721 -5.485 7.688 1.00 0.00 C ATOM 587 O LYS A 41 -7.354 -6.394 8.223 1.00 0.00 O ATOM 588 CB LYS A 41 -4.285 -4.880 8.198 1.00 0.00 C ATOM 589 CG LYS A 41 -2.844 -5.357 8.004 1.00 0.00 C ATOM 590 CD LYS A 41 -2.662 -6.781 8.534 1.00 0.00 C ATOM 591 CE LYS A 41 -3.441 -6.985 9.835 1.00 0.00 C ATOM 592 NZ LYS A 41 -3.039 -8.252 10.486 1.00 0.00 N ATOM 0 H LYS A 41 -4.233 -4.772 5.725 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.009 -6.726 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.357 -3.820 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.569 -4.987 9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.585 -5.323 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.161 -4.683 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.002 -7.497 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.603 -6.977 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.259 -6.149 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.511 -7.000 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.577 -8.375 11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.235 -9.048 9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.022 -8.224 10.702 1.00 0.00 H new ATOM 606 N MET A 42 -7.224 -4.296 7.390 1.00 0.00 N ATOM 607 CA MET A 42 -8.609 -3.973 7.685 1.00 0.00 C ATOM 608 C MET A 42 -9.505 -5.204 7.526 1.00 0.00 C ATOM 609 O MET A 42 -10.015 -5.736 8.510 1.00 0.00 O ATOM 610 CB MET A 42 -9.088 -2.867 6.742 1.00 0.00 C ATOM 611 CG MET A 42 -8.266 -1.591 6.932 1.00 0.00 C ATOM 612 SD MET A 42 -9.217 -0.171 6.417 1.00 0.00 S ATOM 613 CE MET A 42 -8.759 -0.101 4.693 1.00 0.00 C ATOM 0 H MET A 42 -6.696 -3.544 6.947 1.00 0.00 H new ATOM 0 HA MET A 42 -8.671 -3.633 8.719 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.008 -3.205 5.709 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.141 -2.657 6.928 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.978 -1.486 7.978 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.345 -1.652 6.352 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.561 0.368 4.122 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.845 0.483 4.583 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.591 -1.111 4.320 1.00 0.00 H new ATOM 623 N TYR A 43 -9.669 -5.619 6.278 1.00 0.00 N ATOM 624 CA TYR A 43 -10.494 -6.777 5.978 1.00 0.00 C ATOM 625 C TYR A 43 -10.051 -7.993 6.794 1.00 0.00 C ATOM 626 O TYR A 43 -10.878 -8.678 7.392 1.00 0.00 O ATOM 627 CB TYR A 43 -10.282 -7.071 4.491 1.00 0.00 C ATOM 628 CG TYR A 43 -11.393 -7.911 3.859 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.639 -7.357 3.642 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.150 -9.222 3.504 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.684 -8.148 3.047 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.196 -10.013 2.909 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.411 -9.437 2.709 1.00 0.00 C ATOM 634 OH TYR A 43 -14.399 -10.184 2.147 1.00 0.00 O ATOM 0 H TYR A 43 -9.245 -5.174 5.464 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.538 -6.578 6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.203 -6.127 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.332 -7.590 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.829 -6.331 3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.175 -9.655 3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.663 -7.727 2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.019 -11.041 2.628 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.061 -11.084 1.957 1.00 0.00 H new ATOM 644 N GLU A 44 -8.746 -8.223 6.792 1.00 0.00 N ATOM 645 CA GLU A 44 -8.183 -9.345 7.525 1.00 0.00 C ATOM 646 C GLU A 44 -8.725 -9.369 8.955 1.00 0.00 C ATOM 647 O GLU A 44 -9.088 -10.427 9.467 1.00 0.00 O ATOM 648 CB GLU A 44 -6.654 -9.292 7.518 1.00 0.00 C ATOM 649 CG GLU A 44 -6.100 -9.614 6.129 1.00 0.00 C ATOM 650 CD GLU A 44 -5.249 -10.885 6.159 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.632 -11.129 7.218 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.235 -11.583 5.122 1.00 0.00 O ATOM 0 H GLU A 44 -8.063 -7.652 6.295 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.484 -10.267 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.320 -8.301 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.259 -10.002 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.923 -9.740 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.499 -8.778 5.771 1.00 0.00 H new ATOM 659 N GLU A 45 -8.762 -8.191 9.560 1.00 0.00 N ATOM 660 CA GLU A 45 -9.254 -8.065 10.922 1.00 0.00 C ATOM 661 C GLU A 45 -10.644 -8.692 11.045 1.00 0.00 C ATOM 662 O GLU A 45 -10.822 -9.680 11.755 1.00 0.00 O ATOM 663 CB GLU A 45 -9.272 -6.600 11.364 1.00 0.00 C ATOM 664 CG GLU A 45 -7.882 -5.973 11.240 1.00 0.00 C ATOM 665 CD GLU A 45 -7.111 -6.083 12.558 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.524 -5.395 13.516 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.126 -6.852 12.576 1.00 0.00 O ATOM 0 H GLU A 45 -8.460 -7.316 9.133 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.575 -8.602 11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.983 -6.041 10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.615 -6.532 12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.325 -6.470 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.976 -4.925 10.956 1.00 0.00 H new ATOM 674 N HIS A 46 -11.593 -8.091 10.342 1.00 0.00 N ATOM 675 CA HIS A 46 -12.962 -8.579 10.364 1.00 0.00 C ATOM 676 C HIS A 46 -12.974 -10.085 10.098 1.00 0.00 C ATOM 677 O HIS A 46 -13.921 -10.777 10.469 1.00 0.00 O ATOM 678 CB HIS A 46 -13.833 -7.796 9.380 1.00 0.00 C ATOM 679 CG HIS A 46 -14.959 -8.603 8.779 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.072 -9.204 7.560 1.00 0.00 N flip ATOM 681 CD2 HIS A 46 -16.139 -8.863 9.454 1.00 0.00 C flip ATOM 682 CE1 HIS A 46 -16.256 -9.800 7.494 1.00 0.00 C flip ATOM 683 NE2 HIS A 46 -16.919 -9.589 8.667 1.00 0.00 N flip ATOM 0 H HIS A 46 -11.441 -7.271 9.754 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.394 -8.416 11.351 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.253 -6.930 9.892 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.203 -7.416 8.576 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -16.382 -8.531 10.452 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -16.632 -10.360 6.651 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.852 -9.930 8.898 1.00 0.00 H new ATOM 691 N LEU A 47 -11.912 -10.549 9.456 1.00 0.00 N ATOM 692 CA LEU A 47 -11.789 -11.961 9.136 1.00 0.00 C ATOM 693 C LEU A 47 -11.227 -12.708 10.348 1.00 0.00 C ATOM 694 O LEU A 47 -11.753 -13.749 10.738 1.00 0.00 O ATOM 695 CB LEU A 47 -10.965 -12.151 7.861 1.00 0.00 C ATOM 696 CG LEU A 47 -11.762 -12.368 6.573 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.835 -11.290 6.405 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.834 -12.447 5.360 1.00 0.00 C ATOM 0 H LEU A 47 -11.129 -9.972 9.149 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.768 -12.390 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.330 -11.275 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.303 -13.005 8.004 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.276 -13.326 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.387 -11.467 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.521 -11.325 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.362 -10.309 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.426 -12.602 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.272 -11.517 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.141 -13.279 5.486 1.00 0.00 H new ATOM 710 N LYS A 48 -10.167 -12.146 10.910 1.00 0.00 N ATOM 711 CA LYS A 48 -9.529 -12.745 12.069 1.00 0.00 C ATOM 712 C LYS A 48 -10.600 -13.339 12.986 1.00 0.00 C ATOM 713 O LYS A 48 -10.655 -14.553 13.178 1.00 0.00 O ATOM 714 CB LYS A 48 -8.618 -11.731 12.764 1.00 0.00 C ATOM 715 CG LYS A 48 -7.235 -12.328 13.031 1.00 0.00 C ATOM 716 CD LYS A 48 -6.132 -11.425 12.476 1.00 0.00 C ATOM 717 CE LYS A 48 -5.616 -11.951 11.135 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.136 -11.949 11.113 1.00 0.00 N ATOM 0 H LYS A 48 -9.734 -11.282 10.584 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.879 -13.565 11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.520 -10.840 12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.070 -11.416 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.094 -12.463 14.103 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.166 -13.315 12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.515 -10.412 12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.310 -11.369 13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.987 -12.962 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.999 -11.332 10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.802 -12.309 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.788 -10.979 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.777 -12.558 11.876 1.00 0.00 H new ATOM 732 N ARG A 49 -11.425 -12.455 13.528 1.00 0.00 N ATOM 733 CA ARG A 49 -12.492 -12.877 14.420 1.00 0.00 C ATOM 734 C ARG A 49 -13.234 -14.078 13.830 1.00 0.00 C ATOM 735 O ARG A 49 -13.572 -15.017 14.548 1.00 0.00 O ATOM 736 CB ARG A 49 -13.487 -11.740 14.664 1.00 0.00 C ATOM 737 CG ARG A 49 -13.759 -10.964 13.374 1.00 0.00 C ATOM 738 CD ARG A 49 -15.250 -10.977 13.030 1.00 0.00 C ATOM 739 NE ARG A 49 -15.834 -9.637 13.257 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.142 -9.408 13.438 1.00 0.00 C ATOM 741 NH1 ARG A 49 -18.010 -10.428 13.418 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.582 -8.158 13.638 1.00 0.00 N ATOM 0 H ARG A 49 -11.376 -11.449 13.367 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.038 -13.158 15.370 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.421 -12.146 15.052 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.093 -11.064 15.423 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.417 -9.935 13.485 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.189 -11.402 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.389 -11.272 11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.766 -11.716 13.642 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.201 -8.837 13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.676 -11.379 13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.005 -10.253 13.556 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.921 -7.381 13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.578 -7.984 13.776 1.00 0.00 H new ATOM 756 N MET A 50 -13.466 -14.008 12.527 1.00 0.00 N ATOM 757 CA MET A 50 -14.162 -15.078 11.833 1.00 0.00 C ATOM 758 C MET A 50 -13.268 -16.312 11.692 1.00 0.00 C ATOM 759 O MET A 50 -13.756 -17.441 11.706 1.00 0.00 O ATOM 760 CB MET A 50 -14.587 -14.594 10.445 1.00 0.00 C ATOM 761 CG MET A 50 -15.614 -13.465 10.549 1.00 0.00 C ATOM 762 SD MET A 50 -17.085 -13.892 9.633 1.00 0.00 S ATOM 763 CE MET A 50 -16.351 -14.408 8.090 1.00 0.00 C ATOM 0 H MET A 50 -13.184 -13.227 11.934 1.00 0.00 H new ATOM 0 HA MET A 50 -15.041 -15.354 12.416 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.713 -14.246 9.894 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.010 -15.425 9.880 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.866 -13.286 11.594 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.190 -12.539 10.161 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.010 -14.138 7.265 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.388 -13.914 7.962 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.206 -15.488 8.099 1.00 0.00 H new ATOM 773 N ASN A 51 -11.975 -16.055 11.559 1.00 0.00 N ATOM 774 CA ASN A 51 -11.009 -17.131 11.416 1.00 0.00 C ATOM 775 C ASN A 51 -9.840 -16.892 12.373 1.00 0.00 C ATOM 776 O ASN A 51 -8.958 -16.082 12.093 1.00 0.00 O ATOM 777 CB ASN A 51 -10.451 -17.183 9.992 1.00 0.00 C ATOM 778 CG ASN A 51 -11.569 -17.037 8.958 1.00 0.00 C ATOM 779 OD1 ASN A 51 -11.965 -17.982 8.296 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.055 -15.803 8.858 1.00 0.00 N ATOM 0 H ASN A 51 -11.574 -15.117 11.547 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.514 -18.070 11.641 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.719 -16.387 9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.929 -18.127 9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.805 -15.602 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.678 -15.057 9.443 1.00 0.00 H new ATOM 787 N PRO A 52 -9.872 -17.631 13.515 1.00 0.00 N ATOM 788 CA PRO A 52 -8.826 -17.508 14.516 1.00 0.00 C ATOM 789 C PRO A 52 -7.544 -18.206 14.058 1.00 0.00 C ATOM 790 O PRO A 52 -6.499 -17.570 13.928 1.00 0.00 O ATOM 791 CB PRO A 52 -9.416 -18.116 15.778 1.00 0.00 C ATOM 792 CG PRO A 52 -10.586 -18.972 15.320 1.00 0.00 C ATOM 793 CD PRO A 52 -10.901 -18.600 13.881 1.00 0.00 C ATOM 0 HA PRO A 52 -8.529 -16.474 14.690 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.675 -18.717 16.305 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.746 -17.340 16.468 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.337 -20.030 15.395 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.455 -18.803 15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.871 -19.474 13.230 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.899 -18.171 13.792 1.00 0.00 H new ATOM 801 N ASN A 53 -7.666 -19.505 13.826 1.00 0.00 N ATOM 802 CA ASN A 53 -6.530 -20.296 13.385 1.00 0.00 C ATOM 803 C ASN A 53 -5.814 -19.564 12.248 1.00 0.00 C ATOM 804 O ASN A 53 -4.599 -19.681 12.098 1.00 0.00 O ATOM 805 CB ASN A 53 -6.980 -21.660 12.859 1.00 0.00 C ATOM 806 CG ASN A 53 -7.938 -22.338 13.841 1.00 0.00 C ATOM 807 OD1 ASN A 53 -9.224 -22.113 13.585 1.00 0.00 O flip ATOM 808 ND2 ASN A 53 -7.537 -23.019 14.770 1.00 0.00 N flip ATOM 0 H ASN A 53 -8.534 -20.029 13.935 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.867 -20.439 14.239 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.470 -21.538 11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.110 -22.296 12.696 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.535 -23.152 14.910 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.203 -23.456 15.407 1.00 0.00 H new ATOM 815 N SER A 54 -6.598 -18.825 11.477 1.00 0.00 N ATOM 816 CA SER A 54 -6.054 -18.074 10.358 1.00 0.00 C ATOM 817 C SER A 54 -4.726 -17.428 10.758 1.00 0.00 C ATOM 818 O SER A 54 -4.711 -16.402 11.436 1.00 0.00 O ATOM 819 CB SER A 54 -7.041 -17.008 9.879 1.00 0.00 C ATOM 820 OG SER A 54 -7.029 -15.855 10.717 1.00 0.00 O ATOM 0 H SER A 54 -7.605 -18.730 11.605 1.00 0.00 H new ATOM 0 HA SER A 54 -5.880 -18.765 9.534 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.793 -16.717 8.858 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.046 -17.429 9.856 1.00 0.00 H new ATOM 0 HG SER A 54 -7.934 -15.686 11.053 1.00 0.00 H new ATOM 826 N PRO A 55 -3.615 -18.071 10.309 1.00 0.00 N ATOM 827 CA PRO A 55 -2.286 -17.570 10.613 1.00 0.00 C ATOM 828 C PRO A 55 -1.957 -16.339 9.766 1.00 0.00 C ATOM 829 O PRO A 55 -1.456 -15.341 10.282 1.00 0.00 O ATOM 830 CB PRO A 55 -1.354 -18.741 10.347 1.00 0.00 C ATOM 831 CG PRO A 55 -2.133 -19.702 9.465 1.00 0.00 C ATOM 832 CD PRO A 55 -3.596 -19.289 9.504 1.00 0.00 C ATOM 0 HA PRO A 55 -2.191 -17.229 11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.441 -18.409 9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.055 -19.221 11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.755 -19.673 8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.016 -20.726 9.820 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.983 -19.107 8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.216 -20.068 9.949 1.00 0.00 H new ATOM 840 N SER A 56 -2.252 -16.450 8.479 1.00 0.00 N ATOM 841 CA SER A 56 -1.994 -15.359 7.555 1.00 0.00 C ATOM 842 C SER A 56 -3.284 -14.974 6.827 1.00 0.00 C ATOM 843 O SER A 56 -3.288 -14.057 6.007 1.00 0.00 O ATOM 844 CB SER A 56 -0.907 -15.736 6.547 1.00 0.00 C ATOM 845 OG SER A 56 -0.655 -14.687 5.616 1.00 0.00 O ATOM 0 H SER A 56 -2.667 -17.279 8.054 1.00 0.00 H new ATOM 0 HA SER A 56 -1.638 -14.502 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.013 -15.977 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.208 -16.634 6.008 1.00 0.00 H new ATOM 0 HG SER A 56 -1.421 -14.076 5.596 1.00 0.00 H new ATOM 851 N ILE A 57 -4.347 -15.695 7.152 1.00 0.00 N ATOM 852 CA ILE A 57 -5.639 -15.440 6.539 1.00 0.00 C ATOM 853 C ILE A 57 -5.563 -15.764 5.045 1.00 0.00 C ATOM 854 O ILE A 57 -4.476 -15.956 4.503 1.00 0.00 O ATOM 855 CB ILE A 57 -6.101 -14.012 6.835 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.232 -13.780 8.342 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.398 -13.689 6.090 1.00 0.00 C ATOM 858 CD1 ILE A 57 -7.671 -13.422 8.718 1.00 0.00 C ATOM 0 H ILE A 57 -4.340 -16.455 7.832 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.399 -16.092 6.969 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.340 -13.324 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.924 -14.677 8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.561 -12.978 8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.704 -12.668 6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.235 -13.788 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.180 -14.381 6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.737 -13.262 9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.967 -12.511 8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.336 -14.237 8.431 1.00 0.00 H new ATOM 870 N THR A 58 -6.732 -15.816 4.423 1.00 0.00 N ATOM 871 CA THR A 58 -6.811 -16.114 3.003 1.00 0.00 C ATOM 872 C THR A 58 -8.233 -15.881 2.488 1.00 0.00 C ATOM 873 O THR A 58 -9.203 -16.291 3.125 1.00 0.00 O ATOM 874 CB THR A 58 -6.315 -17.545 2.792 1.00 0.00 C ATOM 875 OG1 THR A 58 -5.739 -17.524 1.488 1.00 0.00 O ATOM 876 CG2 THR A 58 -7.462 -18.552 2.676 1.00 0.00 C ATOM 0 H THR A 58 -7.632 -15.657 4.876 1.00 0.00 H new ATOM 0 HA THR A 58 -6.175 -15.446 2.422 1.00 0.00 H new ATOM 0 HB THR A 58 -5.665 -17.829 3.620 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.390 -18.413 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.055 -19.552 2.527 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.056 -18.534 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.094 -18.288 1.828 1.00 0.00 H new ATOM 884 N TYR A 59 -8.313 -15.224 1.340 1.00 0.00 N ATOM 885 CA TYR A 59 -9.600 -14.932 0.733 1.00 0.00 C ATOM 886 C TYR A 59 -9.423 -14.342 -0.668 1.00 0.00 C ATOM 887 O TYR A 59 -8.307 -14.266 -1.177 1.00 0.00 O ATOM 888 CB TYR A 59 -10.264 -13.889 1.633 1.00 0.00 C ATOM 889 CG TYR A 59 -9.331 -12.756 2.066 1.00 0.00 C ATOM 890 CD1 TYR A 59 -8.997 -11.758 1.174 1.00 0.00 C ATOM 891 CD2 TYR A 59 -8.824 -12.732 3.350 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.120 -10.692 1.581 1.00 0.00 C ATOM 893 CE2 TYR A 59 -7.947 -11.666 3.757 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.637 -10.698 2.853 1.00 0.00 C ATOM 895 OH TYR A 59 -6.808 -9.691 3.238 1.00 0.00 O ATOM 0 H TYR A 59 -7.507 -14.886 0.814 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.195 -15.840 0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.118 -13.462 1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.653 -14.386 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.394 -11.777 0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.085 -13.513 4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.851 -9.905 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.544 -11.635 4.758 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.070 -9.612 2.598 1.00 0.00 H new ATOM 905 N ASP A 60 -10.543 -13.938 -1.250 1.00 0.00 N ATOM 906 CA ASP A 60 -10.526 -13.357 -2.582 1.00 0.00 C ATOM 907 C ASP A 60 -10.094 -11.892 -2.489 1.00 0.00 C ATOM 908 O ASP A 60 -10.583 -11.149 -1.639 1.00 0.00 O ATOM 909 CB ASP A 60 -11.917 -13.399 -3.219 1.00 0.00 C ATOM 910 CG ASP A 60 -12.539 -14.793 -3.321 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.793 -15.721 -3.702 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.746 -14.900 -3.014 1.00 0.00 O ATOM 0 H ASP A 60 -11.468 -14.001 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.831 -13.934 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.585 -12.761 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.855 -12.971 -4.220 1.00 0.00 H new ATOM 917 N ILE A 61 -9.181 -11.521 -3.374 1.00 0.00 N ATOM 918 CA ILE A 61 -8.677 -10.158 -3.402 1.00 0.00 C ATOM 919 C ILE A 61 -9.797 -9.214 -3.841 1.00 0.00 C ATOM 920 O ILE A 61 -9.761 -8.021 -3.542 1.00 0.00 O ATOM 921 CB ILE A 61 -7.421 -10.069 -4.272 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.298 -9.331 -3.541 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.737 -9.434 -5.628 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.949 -9.573 -4.221 1.00 0.00 C ATOM 0 H ILE A 61 -8.777 -12.140 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.369 -9.845 -2.404 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.067 -11.082 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.513 -8.263 -3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.252 -9.666 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.827 -9.383 -6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.480 -10.038 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.129 -8.428 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.168 -9.037 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.726 -10.640 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.991 -9.215 -5.250 1.00 0.00 H new ATOM 936 N SER A 62 -10.766 -9.782 -4.544 1.00 0.00 N ATOM 937 CA SER A 62 -11.895 -9.005 -5.027 1.00 0.00 C ATOM 938 C SER A 62 -12.958 -8.892 -3.933 1.00 0.00 C ATOM 939 O SER A 62 -13.655 -7.882 -3.842 1.00 0.00 O ATOM 940 CB SER A 62 -12.495 -9.631 -6.288 1.00 0.00 C ATOM 941 OG SER A 62 -12.335 -8.792 -7.428 1.00 0.00 O ATOM 0 H SER A 62 -10.793 -10.771 -4.791 1.00 0.00 H new ATOM 0 HA SER A 62 -11.539 -8.007 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.019 -10.593 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.555 -9.826 -6.127 1.00 0.00 H new ATOM 0 HG SER A 62 -12.729 -9.227 -8.212 1.00 0.00 H new ATOM 947 N GLN A 63 -13.050 -9.942 -3.130 1.00 0.00 N ATOM 948 CA GLN A 63 -14.017 -9.972 -2.046 1.00 0.00 C ATOM 949 C GLN A 63 -13.577 -9.039 -0.916 1.00 0.00 C ATOM 950 O GLN A 63 -14.403 -8.580 -0.128 1.00 0.00 O ATOM 951 CB GLN A 63 -14.218 -11.399 -1.531 1.00 0.00 C ATOM 952 CG GLN A 63 -15.355 -11.458 -0.509 1.00 0.00 C ATOM 953 CD GLN A 63 -16.706 -11.647 -1.201 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.805 -11.727 -2.414 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.738 -11.712 -0.364 1.00 0.00 N ATOM 0 H GLN A 63 -12.471 -10.778 -3.208 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.975 -9.620 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.440 -12.063 -2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.295 -11.758 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.181 -12.279 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.369 -10.540 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.584 -11.638 0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.683 -11.836 -0.728 1.00 0.00 H new ATOM 964 N LEU A 64 -12.277 -8.786 -0.873 1.00 0.00 N ATOM 965 CA LEU A 64 -11.718 -7.916 0.148 1.00 0.00 C ATOM 966 C LEU A 64 -11.964 -6.457 -0.242 1.00 0.00 C ATOM 967 O LEU A 64 -12.316 -5.636 0.603 1.00 0.00 O ATOM 968 CB LEU A 64 -10.244 -8.249 0.387 1.00 0.00 C ATOM 969 CG LEU A 64 -9.303 -7.052 0.543 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.864 -6.040 1.543 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.893 -7.510 0.921 1.00 0.00 C ATOM 0 H LEU A 64 -11.595 -9.168 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.216 -8.080 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.172 -8.862 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.890 -8.858 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.231 -6.546 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.176 -5.200 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.831 -5.680 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.985 -6.518 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.244 -6.641 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.928 -8.053 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.501 -8.163 0.141 1.00 0.00 H new ATOM 983 N PHE A 65 -11.768 -6.178 -1.522 1.00 0.00 N ATOM 984 CA PHE A 65 -11.963 -4.833 -2.034 1.00 0.00 C ATOM 985 C PHE A 65 -13.435 -4.423 -1.949 1.00 0.00 C ATOM 986 O PHE A 65 -13.757 -3.237 -2.005 1.00 0.00 O ATOM 987 CB PHE A 65 -11.534 -4.846 -3.503 1.00 0.00 C ATOM 988 CG PHE A 65 -10.021 -4.954 -3.708 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.193 -5.034 -2.632 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.505 -4.969 -4.966 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.790 -5.134 -2.822 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.102 -5.069 -5.156 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.273 -5.150 -4.080 1.00 0.00 C ATOM 0 H PHE A 65 -11.476 -6.862 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.380 -4.123 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.019 -5.683 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.891 -3.935 -3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.603 -5.021 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.163 -4.905 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.133 -5.197 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.692 -5.081 -6.155 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.206 -5.227 -4.225 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.289 -5.427 -1.816 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.719 -5.185 -1.723 1.00 0.00 C ATOM 1005 C ASP A 66 -16.002 -4.283 -0.520 1.00 0.00 C ATOM 1006 O ASP A 66 -17.062 -3.664 -0.440 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.487 -6.494 -1.524 1.00 0.00 C ATOM 1008 CG ASP A 66 -16.711 -7.312 -2.797 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -16.017 -7.014 -3.793 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -17.572 -8.216 -2.746 1.00 0.00 O ATOM 0 H ASP A 66 -14.019 -6.409 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.043 -4.714 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.946 -7.109 -0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.457 -6.265 -1.082 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.036 -4.238 0.386 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.168 -3.422 1.581 1.00 0.00 C ATOM 1017 C PHE A 67 -14.501 -2.058 1.390 1.00 0.00 C ATOM 1018 O PHE A 67 -14.974 -1.052 1.917 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.461 -4.168 2.713 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.755 -3.254 3.716 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.475 -2.607 4.670 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.406 -3.087 3.652 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.820 -1.758 5.601 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.751 -2.239 4.583 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.472 -1.592 5.538 1.00 0.00 C ATOM 0 H PHE A 67 -14.159 -4.754 0.316 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.222 -3.253 1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.192 -4.777 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.729 -4.851 2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.546 -2.739 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.834 -3.600 2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.393 -1.244 6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.680 -2.107 4.533 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.974 -0.947 6.246 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.413 -2.068 0.635 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.676 -0.844 0.368 1.00 0.00 C ATOM 1037 C ILE A 68 -13.638 0.219 -0.167 1.00 0.00 C ATOM 1038 O ILE A 68 -13.534 1.391 0.191 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.491 -1.124 -0.559 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.337 -1.773 0.207 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.052 0.149 -1.287 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.219 -2.201 -0.746 1.00 0.00 C ATOM 0 H ILE A 68 -13.024 -2.904 0.199 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.245 -0.450 1.288 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.813 -1.835 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.944 -1.071 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.703 -2.640 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.209 -0.077 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.880 0.531 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.754 0.901 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.411 -2.659 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.610 -2.921 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.839 -1.328 -1.276 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.552 -0.229 -1.015 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.532 0.670 -1.602 1.00 0.00 C ATOM 1056 C ASP A 69 -16.479 1.169 -0.509 1.00 0.00 C ATOM 1057 O ASP A 69 -16.812 2.353 -0.465 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.370 -0.047 -2.663 1.00 0.00 C ATOM 1059 CG ASP A 69 -15.940 0.210 -4.108 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -14.950 0.953 -4.283 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -16.611 -0.342 -5.007 1.00 0.00 O ATOM 0 H ASP A 69 -14.635 -1.202 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 69 -14.996 1.498 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.329 -1.120 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.410 0.258 -2.550 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.886 0.243 0.346 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.788 0.574 1.435 1.00 0.00 C ATOM 1068 C ASP A 70 -17.338 1.885 2.084 1.00 0.00 C ATOM 1069 O ASP A 70 -18.167 2.698 2.489 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.776 -0.514 2.511 1.00 0.00 C ATOM 1071 CG ASP A 70 -18.896 -0.410 3.548 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -18.788 0.488 4.411 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.833 -1.231 3.455 1.00 0.00 O ATOM 0 H ASP A 70 -16.607 -0.737 0.306 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.794 0.664 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.842 -1.487 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.817 -0.481 3.029 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.025 2.049 2.162 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.455 3.247 2.754 1.00 0.00 C ATOM 1080 C LEU A 71 -16.024 4.480 2.049 1.00 0.00 C ATOM 1081 O LEU A 71 -16.551 4.378 0.942 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.927 3.178 2.735 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.294 2.086 3.600 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.780 2.026 3.386 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.657 2.274 5.074 1.00 0.00 C ATOM 0 H LEU A 71 -15.340 1.372 1.825 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.735 3.323 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.603 3.031 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.535 4.142 3.058 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.702 1.125 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.355 1.242 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.569 1.809 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.336 2.985 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.194 1.485 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.296 3.244 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.740 2.228 5.191 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.897 5.616 2.718 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.392 6.867 2.170 1.00 0.00 C ATOM 1099 C ALA A 72 -15.422 7.368 1.097 1.00 0.00 C ATOM 1100 O ALA A 72 -15.833 8.026 0.143 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.585 7.880 3.300 1.00 0.00 C ATOM 0 H ALA A 72 -15.458 5.696 3.635 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.362 6.720 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.956 8.818 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.305 7.490 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.632 8.055 3.799 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.154 7.036 1.290 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.123 7.444 0.351 1.00 0.00 C ATOM 1109 C ASP A 73 -11.748 7.254 0.996 1.00 0.00 C ATOM 1110 O ASP A 73 -11.344 8.044 1.847 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.270 8.920 -0.022 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.021 9.561 -0.629 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.030 9.697 0.122 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -12.084 9.902 -1.830 1.00 0.00 O ATOM 0 H ASP A 73 -13.817 6.489 2.083 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.224 6.834 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.092 9.020 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.549 9.479 0.871 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.069 6.201 0.566 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.748 5.897 1.091 1.00 0.00 C ATOM 1121 C LEU A 74 -8.686 6.422 0.122 1.00 0.00 C ATOM 1122 O LEU A 74 -8.861 6.353 -1.094 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.622 4.403 1.391 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.196 3.858 1.496 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.644 4.035 2.912 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.130 2.401 1.034 1.00 0.00 C ATOM 0 H LEU A 74 -11.408 5.548 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.590 6.404 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.139 4.196 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.144 3.850 0.610 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.559 4.437 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.629 3.639 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.633 5.094 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.276 3.497 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.106 2.038 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.784 1.791 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.454 2.334 -0.005 1.00 0.00 H new ATOM 1138 N SER A 75 -7.608 6.935 0.697 1.00 0.00 N ATOM 1139 CA SER A 75 -6.518 7.471 -0.100 1.00 0.00 C ATOM 1140 C SER A 75 -5.185 7.245 0.616 1.00 0.00 C ATOM 1141 O SER A 75 -5.154 6.697 1.717 1.00 0.00 O ATOM 1142 CB SER A 75 -6.723 8.960 -0.382 1.00 0.00 C ATOM 1143 OG SER A 75 -8.098 9.284 -0.570 1.00 0.00 O ATOM 0 H SER A 75 -7.466 6.991 1.706 1.00 0.00 H new ATOM 0 HA SER A 75 -6.503 6.946 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.323 9.544 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.159 9.241 -1.272 1.00 0.00 H new ATOM 0 HG SER A 75 -8.187 10.244 -0.746 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.118 7.678 -0.037 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.785 7.529 0.524 1.00 0.00 C ATOM 1151 C CYS A 76 -1.880 8.592 -0.101 1.00 0.00 C ATOM 1152 O CYS A 76 -2.248 9.222 -1.092 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.237 6.117 0.313 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.519 5.587 -1.416 1.00 0.00 S ATOM 0 H CYS A 76 -4.148 8.132 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.823 7.675 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.171 6.094 0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.723 5.423 0.999 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.425 5.740 -2.101 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.713 8.759 0.503 1.00 0.00 N ATOM 1161 CA LEU A 77 0.249 9.735 0.018 1.00 0.00 C ATOM 1162 C LEU A 77 1.607 9.056 -0.170 1.00 0.00 C ATOM 1163 O LEU A 77 2.053 8.301 0.693 1.00 0.00 O ATOM 1164 CB LEU A 77 0.292 10.951 0.945 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.039 11.671 1.171 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.740 11.956 -0.159 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.932 10.883 2.132 1.00 0.00 C ATOM 0 H LEU A 77 -0.411 8.235 1.324 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.054 10.117 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.678 10.631 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.005 11.668 0.538 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.832 12.633 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.684 12.468 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.102 12.586 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.934 11.017 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.872 11.416 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.135 9.897 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.427 10.774 3.092 1.00 0.00 H new ATOM 1179 N VAL A 78 2.227 9.350 -1.304 1.00 0.00 N ATOM 1180 CA VAL A 78 3.526 8.778 -1.616 1.00 0.00 C ATOM 1181 C VAL A 78 4.577 9.889 -1.632 1.00 0.00 C ATOM 1182 O VAL A 78 4.440 10.868 -2.364 1.00 0.00 O ATOM 1183 CB VAL A 78 3.453 8.004 -2.934 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.772 7.284 -3.221 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.281 7.020 -2.929 1.00 0.00 C ATOM 0 H VAL A 78 1.854 9.976 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 78 3.823 8.062 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 78 3.283 8.723 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.693 6.742 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.578 8.015 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.986 6.582 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.252 6.483 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.407 6.308 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.348 7.566 -2.793 1.00 0.00 H new ATOM 1195 N TYR A 79 5.604 9.700 -0.816 1.00 0.00 N ATOM 1196 CA TYR A 79 6.678 10.674 -0.728 1.00 0.00 C ATOM 1197 C TYR A 79 7.774 10.377 -1.754 1.00 0.00 C ATOM 1198 O TYR A 79 8.398 9.318 -1.712 1.00 0.00 O ATOM 1199 CB TYR A 79 7.262 10.530 0.679 1.00 0.00 C ATOM 1200 CG TYR A 79 8.706 11.019 0.807 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.016 12.336 0.532 1.00 0.00 C ATOM 1202 CD2 TYR A 79 9.700 10.144 1.196 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.375 12.796 0.652 1.00 0.00 C ATOM 1204 CE2 TYR A 79 11.059 10.604 1.316 1.00 0.00 C ATOM 1205 CZ TYR A 79 11.329 11.908 1.038 1.00 0.00 C ATOM 1206 OH TYR A 79 12.613 12.342 1.151 1.00 0.00 O ATOM 0 H TYR A 79 5.715 8.887 -0.210 1.00 0.00 H new ATOM 0 HA TYR A 79 6.303 11.678 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.638 11.086 1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.217 9.482 0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.239 13.021 0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.458 9.114 1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.631 13.824 0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.846 9.929 1.620 1.00 0.00 H new ATOM 0 HH TYR A 79 13.185 11.599 1.436 1.00 0.00 H new ATOM 1216 N ARG A 80 7.973 11.331 -2.651 1.00 0.00 N ATOM 1217 CA ARG A 80 8.982 11.185 -3.687 1.00 0.00 C ATOM 1218 C ARG A 80 10.061 12.259 -3.531 1.00 0.00 C ATOM 1219 O ARG A 80 9.965 13.332 -4.125 1.00 0.00 O ATOM 1220 CB ARG A 80 8.361 11.295 -5.081 1.00 0.00 C ATOM 1221 CG ARG A 80 7.149 12.230 -5.069 1.00 0.00 C ATOM 1222 CD ARG A 80 6.650 12.497 -6.490 1.00 0.00 C ATOM 1223 NE ARG A 80 5.710 11.431 -6.905 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.089 10.261 -7.436 1.00 0.00 C ATOM 1225 NH1 ARG A 80 7.390 9.999 -7.620 1.00 0.00 N ATOM 1226 NH2 ARG A 80 5.167 9.353 -7.783 1.00 0.00 N ATOM 0 H ARG A 80 7.453 12.208 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 80 9.429 10.197 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.105 11.667 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.059 10.307 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.349 11.787 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.416 13.172 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.155 13.467 -6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.494 12.538 -7.179 1.00 0.00 H new ATOM 0 HE ARG A 80 4.712 11.598 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.092 10.690 -7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.679 9.108 -8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.177 9.553 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.455 8.462 -8.187 1.00 0.00 H new ATOM 1240 N ALA A 81 11.064 11.932 -2.729 1.00 0.00 N ATOM 1241 CA ALA A 81 12.160 12.855 -2.488 1.00 0.00 C ATOM 1242 C ALA A 81 12.627 13.445 -3.821 1.00 0.00 C ATOM 1243 O ALA A 81 13.140 14.562 -3.863 1.00 0.00 O ATOM 1244 CB ALA A 81 13.285 12.130 -1.747 1.00 0.00 C ATOM 0 H ALA A 81 11.140 11.041 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 81 11.833 13.682 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.107 12.823 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.911 11.755 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.640 11.295 -2.351 1.00 0.00 H new ATOM 1250 N ASP A 82 12.432 12.669 -4.876 1.00 0.00 N ATOM 1251 CA ASP A 82 12.826 13.101 -6.206 1.00 0.00 C ATOM 1252 C ASP A 82 12.242 14.488 -6.481 1.00 0.00 C ATOM 1253 O ASP A 82 12.902 15.336 -7.080 1.00 0.00 O ATOM 1254 CB ASP A 82 12.296 12.144 -7.276 1.00 0.00 C ATOM 1255 CG ASP A 82 13.286 11.810 -8.393 1.00 0.00 C ATOM 1256 OD1 ASP A 82 14.036 10.827 -8.211 1.00 0.00 O ATOM 1257 OD2 ASP A 82 13.271 12.546 -9.404 1.00 0.00 O ATOM 0 H ASP A 82 12.006 11.743 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 82 13.915 13.119 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 82 11.990 11.216 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 82 11.402 12.581 -7.722 1.00 0.00 H new ATOM 1262 N THR A 83 11.010 14.676 -6.031 1.00 0.00 N ATOM 1263 CA THR A 83 10.329 15.946 -6.221 1.00 0.00 C ATOM 1264 C THR A 83 9.854 16.503 -4.878 1.00 0.00 C ATOM 1265 O THR A 83 9.163 17.519 -4.832 1.00 0.00 O ATOM 1266 CB THR A 83 9.195 15.729 -7.224 1.00 0.00 C ATOM 1267 OG1 THR A 83 8.334 14.795 -6.578 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.660 14.997 -8.485 1.00 0.00 C ATOM 0 H THR A 83 10.466 13.970 -5.535 1.00 0.00 H new ATOM 0 HA THR A 83 11.003 16.699 -6.629 1.00 0.00 H new ATOM 0 HB THR A 83 8.767 16.692 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.796 13.936 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.816 14.869 -9.163 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.437 15.580 -8.979 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.058 14.020 -8.212 1.00 0.00 H new ATOM 1276 N GLN A 84 10.244 15.812 -3.816 1.00 0.00 N ATOM 1277 CA GLN A 84 9.866 16.225 -2.475 1.00 0.00 C ATOM 1278 C GLN A 84 8.417 16.715 -2.459 1.00 0.00 C ATOM 1279 O GLN A 84 8.166 17.918 -2.407 1.00 0.00 O ATOM 1280 CB GLN A 84 10.815 17.301 -1.945 1.00 0.00 C ATOM 1281 CG GLN A 84 12.169 16.699 -1.564 1.00 0.00 C ATOM 1282 CD GLN A 84 12.523 17.022 -0.111 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.517 17.665 0.185 1.00 0.00 O ATOM 1284 NE2 GLN A 84 11.657 16.542 0.777 1.00 0.00 N ATOM 0 H GLN A 84 10.817 14.970 -3.857 1.00 0.00 H new ATOM 0 HA GLN A 84 9.944 15.361 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.956 18.072 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.371 17.786 -1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.143 15.618 -1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.943 17.088 -2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.845 16.011 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.805 16.704 1.773 1.00 0.00 H new ATOM 1293 N THR A 85 7.501 15.758 -2.503 1.00 0.00 N ATOM 1294 CA THR A 85 6.084 16.078 -2.495 1.00 0.00 C ATOM 1295 C THR A 85 5.255 14.818 -2.239 1.00 0.00 C ATOM 1296 O THR A 85 5.762 13.703 -2.353 1.00 0.00 O ATOM 1297 CB THR A 85 5.747 16.769 -3.817 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.380 17.145 -3.674 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.744 15.800 -5.001 1.00 0.00 C ATOM 0 H THR A 85 7.713 14.761 -2.544 1.00 0.00 H new ATOM 0 HA THR A 85 5.838 16.762 -1.683 1.00 0.00 H new ATOM 0 HB THR A 85 6.466 17.567 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.080 17.602 -4.487 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.499 16.342 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.730 15.346 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.001 15.021 -4.831 1.00 0.00 H new ATOM 1307 N TYR A 86 3.993 15.037 -1.899 1.00 0.00 N ATOM 1308 CA TYR A 86 3.089 13.933 -1.626 1.00 0.00 C ATOM 1309 C TYR A 86 2.034 13.804 -2.727 1.00 0.00 C ATOM 1310 O TYR A 86 1.423 14.795 -3.125 1.00 0.00 O ATOM 1311 CB TYR A 86 2.393 14.273 -0.307 1.00 0.00 C ATOM 1312 CG TYR A 86 1.271 15.304 -0.443 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.573 16.648 -0.518 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.045 14.889 -0.490 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.517 17.618 -0.646 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -1.101 15.859 -0.618 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.769 17.175 -0.690 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.767 18.091 -0.811 1.00 0.00 O ATOM 0 H TYR A 86 3.575 15.963 -1.806 1.00 0.00 H new ATOM 0 HA TYR A 86 3.636 12.992 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.982 13.359 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.135 14.650 0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.602 16.973 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.282 13.837 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.740 18.673 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.134 15.548 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.632 17.631 -0.831 1.00 0.00 H new ATOM 1328 N GLN A 87 1.851 12.575 -3.186 1.00 0.00 N ATOM 1329 CA GLN A 87 0.881 12.304 -4.233 1.00 0.00 C ATOM 1330 C GLN A 87 -0.344 11.596 -3.650 1.00 0.00 C ATOM 1331 O GLN A 87 -0.252 10.452 -3.205 1.00 0.00 O ATOM 1332 CB GLN A 87 1.506 11.479 -5.360 1.00 0.00 C ATOM 1333 CG GLN A 87 2.068 12.387 -6.456 1.00 0.00 C ATOM 1334 CD GLN A 87 0.942 13.022 -7.274 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.854 14.229 -7.426 1.00 0.00 O ATOM 1336 NE2 GLN A 87 0.088 12.143 -7.792 1.00 0.00 N ATOM 0 H GLN A 87 2.358 11.755 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 87 0.560 13.255 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.302 10.852 -4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.757 10.810 -5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.681 13.168 -6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.719 11.810 -7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.220 11.145 -7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.698 12.467 -8.355 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.493 12.323 -3.672 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.735 11.777 -3.151 1.00 0.00 C ATOM 1347 C PRO A 88 -3.328 10.747 -4.115 1.00 0.00 C ATOM 1348 O PRO A 88 -3.832 11.105 -5.178 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.637 12.982 -2.941 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.042 14.100 -3.782 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.640 13.680 -4.191 1.00 0.00 C ATOM 0 HA PRO A 88 -2.596 11.233 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.659 12.763 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.675 13.263 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.657 14.284 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.012 15.030 -3.214 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.519 13.705 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.888 14.348 -3.771 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.247 9.489 -3.709 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.770 8.405 -4.524 1.00 0.00 C ATOM 1361 C TYR A 89 -5.053 7.833 -3.918 1.00 0.00 C ATOM 1362 O TYR A 89 -5.074 7.446 -2.750 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.691 7.319 -4.522 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.445 7.679 -5.334 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.441 7.508 -6.704 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.326 8.174 -4.697 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.269 7.846 -7.468 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.847 8.512 -5.462 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.817 8.332 -6.809 1.00 0.00 C ATOM 1370 OH TYR A 89 1.925 8.651 -7.531 1.00 0.00 O ATOM 0 H TYR A 89 -2.827 9.196 -2.827 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.007 8.759 -5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.395 7.117 -3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.117 6.397 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.317 7.121 -7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.329 8.308 -3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.252 7.717 -8.540 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.730 8.900 -4.976 1.00 0.00 H new ATOM 0 HH TYR A 89 1.659 8.933 -8.431 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.092 7.797 -4.739 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.376 7.279 -4.298 1.00 0.00 C ATOM 1382 C ASN A 90 -7.218 5.812 -3.895 1.00 0.00 C ATOM 1383 O ASN A 90 -6.139 5.239 -4.035 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.414 7.352 -5.420 1.00 0.00 C ATOM 1385 CG ASN A 90 -8.467 8.755 -6.027 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -7.501 9.260 -6.576 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -9.647 9.355 -5.900 1.00 0.00 N ATOM 0 H ASN A 90 -6.071 8.118 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.712 7.884 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.169 6.626 -6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.396 7.083 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.784 10.294 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.415 8.876 -5.429 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.310 5.245 -3.402 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.306 3.856 -2.978 1.00 0.00 C ATOM 1396 C LYS A 91 -8.129 2.954 -4.201 1.00 0.00 C ATOM 1397 O LYS A 91 -7.413 1.956 -4.143 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.560 3.542 -2.159 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.825 3.734 -2.997 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.037 3.096 -2.316 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.227 4.056 -2.301 1.00 0.00 C ATOM 1402 NZ LYS A 91 -14.176 3.723 -3.387 1.00 0.00 N ATOM 0 H LYS A 91 -9.204 5.723 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.463 3.663 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.513 2.516 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.598 4.190 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.007 4.798 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.683 3.291 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.311 2.180 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.779 2.816 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.734 4.001 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.876 5.081 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.140 3.983 -3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.919 4.249 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.137 2.702 -3.581 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.795 3.338 -5.281 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.720 2.576 -6.516 1.00 0.00 C ATOM 1418 C ASP A 92 -7.253 2.298 -6.851 1.00 0.00 C ATOM 1419 O ASP A 92 -6.939 1.300 -7.497 1.00 0.00 O ATOM 1420 CB ASP A 92 -9.331 3.356 -7.682 1.00 0.00 C ATOM 1421 CG ASP A 92 -10.860 3.385 -7.709 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -11.444 3.575 -6.620 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -11.411 3.217 -8.819 1.00 0.00 O ATOM 0 H ASP A 92 -9.389 4.166 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.273 1.648 -6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.964 4.382 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.974 2.922 -8.616 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.394 3.198 -6.395 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.968 3.062 -6.638 1.00 0.00 C ATOM 1430 C TRP A 93 -4.429 1.983 -5.696 1.00 0.00 C ATOM 1431 O TRP A 93 -3.847 0.997 -6.144 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.254 4.405 -6.480 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.753 4.351 -6.771 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -2.147 4.234 -7.961 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.686 4.416 -5.801 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.774 4.219 -7.829 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.484 4.333 -6.475 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.735 4.540 -4.402 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.759 4.366 -5.831 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.484 4.572 -3.773 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.734 4.490 -4.437 1.00 0.00 C ATOM 0 H TRP A 93 -6.658 4.024 -5.859 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.780 2.752 -7.666 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.717 5.132 -7.148 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.403 4.767 -5.463 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.668 4.161 -8.904 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.096 4.139 -8.587 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.664 4.605 -3.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.687 4.299 -6.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.465 4.667 -2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.658 4.522 -3.879 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.642 2.208 -4.408 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.185 1.268 -3.398 1.00 0.00 C ATOM 1454 C ILE A 94 -4.640 -0.143 -3.778 1.00 0.00 C ATOM 1455 O ILE A 94 -3.893 -1.105 -3.611 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.645 1.709 -2.007 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.202 3.144 -1.713 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.165 0.730 -0.935 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.312 3.926 -1.008 1.00 0.00 C ATOM 0 H ILE A 94 -5.125 3.028 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.096 1.252 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.735 1.698 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.308 3.132 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.935 3.644 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.506 1.067 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.571 -0.261 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.076 0.685 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.972 4.943 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.196 3.957 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.560 3.437 -0.066 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.863 -0.220 -4.282 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.426 -1.497 -4.686 1.00 0.00 C ATOM 1473 C LYS A 95 -5.497 -2.160 -5.705 1.00 0.00 C ATOM 1474 O LYS A 95 -5.308 -3.375 -5.679 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.860 -1.315 -5.189 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.787 -0.875 -4.055 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.246 -1.200 -4.382 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.681 -0.522 -5.682 1.00 0.00 C ATOM 1479 NZ LYS A 95 -11.993 -1.044 -6.125 1.00 0.00 N ATOM 0 H LYS A 95 -6.479 0.581 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.495 -2.170 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.878 -0.573 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.221 -2.251 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.498 -1.374 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.678 0.196 -3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.371 -2.279 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.887 -0.872 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.743 0.556 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.934 -0.695 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.273 -0.573 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.922 -2.069 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.706 -0.857 -5.392 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.941 -1.332 -6.577 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.035 -1.822 -7.602 1.00 0.00 C ATOM 1495 C GLU A 96 -2.680 -2.179 -6.988 1.00 0.00 C ATOM 1496 O GLU A 96 -1.852 -2.820 -7.632 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.875 -0.798 -8.728 1.00 0.00 C ATOM 1498 CG GLU A 96 -2.675 0.115 -8.471 1.00 0.00 C ATOM 1499 CD GLU A 96 -1.483 -0.287 -9.342 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -1.331 -1.507 -9.567 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -0.751 0.635 -9.762 1.00 0.00 O ATOM 0 H GLU A 96 -5.100 -0.325 -6.595 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.464 -2.725 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.746 -1.315 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.782 -0.199 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.949 1.149 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.394 0.065 -7.419 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.497 -1.747 -5.749 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.256 -2.013 -5.040 1.00 0.00 C ATOM 1510 C LYS A 97 -1.454 -3.209 -4.106 1.00 0.00 C ATOM 1511 O LYS A 97 -0.838 -4.257 -4.296 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.766 -0.751 -4.327 1.00 0.00 C ATOM 1513 CG LYS A 97 0.502 -0.206 -4.987 1.00 0.00 C ATOM 1514 CD LYS A 97 0.283 0.031 -6.483 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.121 1.482 -6.754 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.513 1.971 -7.999 1.00 0.00 N ATOM 0 H LYS A 97 -3.186 -1.215 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.466 -2.283 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.547 0.009 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.567 -0.975 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.794 0.728 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.322 -0.909 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.196 -0.204 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.492 -0.641 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.205 1.554 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.177 2.112 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.612 3.005 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.453 1.538 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.079 1.714 -8.814 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.314 -3.012 -3.118 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.600 -4.062 -2.155 1.00 0.00 C ATOM 1532 C ILE A 98 -2.668 -5.408 -2.879 1.00 0.00 C ATOM 1533 O ILE A 98 -2.070 -6.387 -2.435 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.861 -3.728 -1.357 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.372 -4.955 -0.599 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.938 -3.124 -2.261 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.400 -4.556 0.461 1.00 0.00 C ATOM 0 H ILE A 98 -2.822 -2.141 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.797 -4.135 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.604 -2.974 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.821 -5.659 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.536 -5.468 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.824 -2.896 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.560 -2.209 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.198 -3.837 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.747 -5.447 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.940 -3.871 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.246 -4.065 -0.020 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.403 -5.413 -3.982 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.557 -6.623 -4.772 1.00 0.00 C ATOM 1551 C TYR A 99 -2.195 -7.206 -5.155 1.00 0.00 C ATOM 1552 O TYR A 99 -1.883 -8.344 -4.809 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.295 -6.204 -6.045 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.825 -6.933 -7.305 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -4.356 -8.165 -7.629 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -2.870 -6.357 -8.119 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.913 -8.850 -8.815 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -2.428 -7.043 -9.305 1.00 0.00 C ATOM 1559 CZ TYR A 99 -2.971 -8.256 -9.595 1.00 0.00 C ATOM 1560 OH TYR A 99 -2.553 -8.903 -10.716 1.00 0.00 O ATOM 0 H TYR A 99 -3.898 -4.599 -4.347 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.096 -7.384 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.362 -6.384 -5.910 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.168 -5.131 -6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.104 -8.615 -6.993 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.455 -5.393 -7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.320 -9.815 -9.079 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.682 -6.604 -9.950 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.879 -8.360 -11.175 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.420 -6.398 -5.864 1.00 0.00 N ATOM 1571 CA VAL A 100 -0.099 -6.819 -6.298 1.00 0.00 C ATOM 1572 C VAL A 100 0.773 -7.093 -5.071 1.00 0.00 C ATOM 1573 O VAL A 100 1.610 -7.993 -5.088 1.00 0.00 O ATOM 1574 CB VAL A 100 0.502 -5.771 -7.237 1.00 0.00 C ATOM 1575 CG1 VAL A 100 0.445 -4.377 -6.611 1.00 0.00 C ATOM 1576 CG2 VAL A 100 1.935 -6.140 -7.624 1.00 0.00 C ATOM 0 H VAL A 100 -1.682 -5.454 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.161 -7.747 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.097 -5.754 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.878 -3.651 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.593 -4.111 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.008 -4.374 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.339 -5.379 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.551 -6.199 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.938 -7.105 -8.130 1.00 0.00 H new ATOM 1586 N LEU A 101 0.546 -6.299 -4.035 1.00 0.00 N ATOM 1587 CA LEU A 101 1.300 -6.444 -2.801 1.00 0.00 C ATOM 1588 C LEU A 101 1.247 -7.903 -2.345 1.00 0.00 C ATOM 1589 O LEU A 101 2.265 -8.472 -1.951 1.00 0.00 O ATOM 1590 CB LEU A 101 0.802 -5.452 -1.749 1.00 0.00 C ATOM 1591 CG LEU A 101 1.086 -5.821 -0.291 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.416 -5.227 0.176 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.076 -5.410 0.615 1.00 0.00 C ATOM 0 H LEU A 101 -0.149 -5.553 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 101 2.349 -6.199 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.253 -4.481 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.275 -5.335 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 101 1.177 -6.905 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.593 -5.504 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.225 -5.612 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.379 -4.141 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.152 -5.684 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.224 -4.332 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.984 -5.921 0.296 1.00 0.00 H new ATOM 1605 N LEU A 102 0.051 -8.468 -2.413 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.148 -9.851 -2.012 1.00 0.00 C ATOM 1607 C LEU A 102 0.444 -10.776 -3.076 1.00 0.00 C ATOM 1608 O LEU A 102 1.078 -11.779 -2.749 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.626 -10.116 -1.719 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.244 -9.293 -0.587 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.162 -8.586 0.231 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.286 -8.312 -1.128 1.00 0.00 C ATOM 0 H LEU A 102 -0.791 -7.993 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 102 0.380 -10.058 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.195 -9.930 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.745 -11.173 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.763 -9.975 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.628 -8.008 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.491 -9.327 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.595 -7.918 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.710 -7.740 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.812 -7.632 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.079 -8.865 -1.631 1.00 0.00 H new ATOM 1624 N ARG A 103 0.217 -10.408 -4.328 1.00 0.00 N ATOM 1625 CA ARG A 103 0.720 -11.193 -5.442 1.00 0.00 C ATOM 1626 C ARG A 103 2.240 -11.341 -5.344 1.00 0.00 C ATOM 1627 O ARG A 103 2.759 -12.457 -5.337 1.00 0.00 O ATOM 1628 CB ARG A 103 0.365 -10.541 -6.780 1.00 0.00 C ATOM 1629 CG ARG A 103 -1.139 -10.274 -6.877 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.842 -11.380 -7.667 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.301 -12.701 -7.278 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.025 -13.828 -7.241 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.325 -13.801 -7.567 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.450 -14.982 -6.876 1.00 0.00 N ATOM 0 H ARG A 103 -0.309 -9.576 -4.596 1.00 0.00 H new ATOM 0 HA ARG A 103 0.251 -12.176 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 103 0.912 -9.605 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.677 -11.189 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.566 -10.209 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.311 -9.312 -7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.915 -11.347 -7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.701 -11.221 -8.736 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.315 -12.757 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.763 -12.922 -7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.876 -14.659 -7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.461 -15.003 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.001 -15.840 -6.848 1.00 0.00 H new ATOM 1648 N ARG A 104 2.910 -10.201 -5.269 1.00 0.00 N ATOM 1649 CA ARG A 104 4.360 -10.190 -5.171 1.00 0.00 C ATOM 1650 C ARG A 104 4.807 -10.806 -3.843 1.00 0.00 C ATOM 1651 O ARG A 104 5.801 -11.528 -3.793 1.00 0.00 O ATOM 1652 CB ARG A 104 4.909 -8.766 -5.275 1.00 0.00 C ATOM 1653 CG ARG A 104 4.705 -8.003 -3.965 1.00 0.00 C ATOM 1654 CD ARG A 104 4.944 -6.504 -4.161 1.00 0.00 C ATOM 1655 NE ARG A 104 5.854 -5.995 -3.110 1.00 0.00 N ATOM 1656 CZ ARG A 104 6.372 -4.759 -3.100 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.073 -3.899 -4.082 1.00 0.00 N ATOM 1658 NH2 ARG A 104 7.188 -4.383 -2.106 1.00 0.00 N ATOM 0 H ARG A 104 2.476 -9.278 -5.274 1.00 0.00 H new ATOM 0 HA ARG A 104 4.752 -10.779 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 104 5.971 -8.799 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.411 -8.239 -6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.692 -8.168 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.386 -8.387 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.374 -6.322 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.996 -5.968 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 104 6.102 -6.624 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.451 -4.185 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.468 -2.958 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.415 -5.037 -1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.582 -3.442 -2.098 1.00 0.00 H new ATOM 1672 N GLN A 105 4.050 -10.496 -2.800 1.00 0.00 N ATOM 1673 CA GLN A 105 4.355 -11.010 -1.476 1.00 0.00 C ATOM 1674 C GLN A 105 4.606 -12.518 -1.536 1.00 0.00 C ATOM 1675 O GLN A 105 5.454 -13.039 -0.813 1.00 0.00 O ATOM 1676 CB GLN A 105 3.235 -10.679 -0.488 1.00 0.00 C ATOM 1677 CG GLN A 105 3.600 -9.465 0.369 1.00 0.00 C ATOM 1678 CD GLN A 105 3.468 -9.786 1.860 1.00 0.00 C ATOM 1679 OE1 GLN A 105 3.913 -10.815 2.341 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.832 -8.851 2.560 1.00 0.00 N ATOM 0 H GLN A 105 3.227 -9.896 -2.846 1.00 0.00 H new ATOM 0 HA GLN A 105 5.264 -10.525 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.312 -10.480 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.047 -11.539 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.621 -9.154 0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.950 -8.627 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.485 -8.013 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.692 -8.972 3.563 1.00 0.00 H new