USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=28 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 Single : A 11 THR OG1 : rot 33:sc= 0.34 USER MOD Single : A 16 GLN : amide:sc= -8.52! C(o=-8.5!,f=-3.3!) USER MOD Single : A 18 THR OG1 : rot -160:sc= -0.279 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0282 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 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -4.18! C(o=-4.2!,f=-4.9!) USER MOD Single : A 35 CYS SG : rot -140:sc= -3.5 USER MOD Single : A 36 MET CE :methyl -175:sc= -0.822 (180deg=-0.875) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.853 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 155:sc= -1.95! (180deg=-2.72!) USER MOD Single : A 43 TYR OH : rot 65:sc= 1.12 USER MOD Single : A 46 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-0.41) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.587 (180deg=-2.91!) USER MOD Single : A 51 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.47) USER MOD Single : A 53 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.24) USER MOD Single : A 54 SER OG : rot -88:sc= 0.292 USER MOD Single : A 56 SER OG : rot -21:sc= 0.696 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -130:sc= -1.43 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 76 CYS SG : rot 99:sc= -8.32! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 32:sc= -2.05 USER MOD Single : A 84 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.53) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.15) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= -0.3 (180deg=-0.313) USER MOD Single : A 95 LYS NZ :NH3+ 152:sc= 0.00433 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 1.94 (180deg=1.85) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc=-0.000591 X(o=-0.00059,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.242 6.905 3.728 1.00 0.00 N ATOM 121 CA THR A 11 3.904 6.740 3.187 1.00 0.00 C ATOM 122 C THR A 11 2.857 6.922 4.288 1.00 0.00 C ATOM 123 O THR A 11 3.041 6.449 5.409 1.00 0.00 O ATOM 124 CB THR A 11 3.835 5.373 2.504 1.00 0.00 C ATOM 125 OG1 THR A 11 4.882 5.416 1.537 1.00 0.00 O ATOM 126 CG2 THR A 11 2.565 5.199 1.669 1.00 0.00 C ATOM 0 HA THR A 11 3.683 7.504 2.441 1.00 0.00 H new ATOM 0 HB THR A 11 3.884 4.587 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.620 5.963 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.566 4.212 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.690 5.297 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.532 5.964 0.893 1.00 0.00 H new ATOM 134 N ILE A 12 1.782 7.609 3.931 1.00 0.00 N ATOM 135 CA ILE A 12 0.706 7.859 4.874 1.00 0.00 C ATOM 136 C ILE A 12 -0.534 7.070 4.448 1.00 0.00 C ATOM 137 O ILE A 12 -0.993 7.193 3.314 1.00 0.00 O ATOM 138 CB ILE A 12 0.459 9.362 5.019 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.758 10.103 5.340 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.631 9.641 6.056 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.608 11.605 5.094 1.00 0.00 C ATOM 0 H ILE A 12 1.633 8.000 3.001 1.00 0.00 H new ATOM 0 HA ILE A 12 0.982 7.507 5.868 1.00 0.00 H new ATOM 0 HB ILE A 12 0.099 9.742 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.034 9.927 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.567 9.709 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.787 10.717 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.560 9.163 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.324 9.243 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.546 12.108 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.356 11.779 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.815 12.000 5.729 1.00 0.00 H new ATOM 153 N LEU A 13 -1.041 6.277 5.381 1.00 0.00 N ATOM 154 CA LEU A 13 -2.219 5.469 5.116 1.00 0.00 C ATOM 155 C LEU A 13 -3.325 5.848 6.103 1.00 0.00 C ATOM 156 O LEU A 13 -3.124 5.797 7.316 1.00 0.00 O ATOM 157 CB LEU A 13 -1.863 3.981 5.134 1.00 0.00 C ATOM 158 CG LEU A 13 -2.875 3.041 4.478 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.830 2.451 5.518 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.626 3.746 3.346 1.00 0.00 C ATOM 0 H LEU A 13 -0.658 6.177 6.321 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.601 5.670 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.902 3.852 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.729 3.672 6.171 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.329 2.209 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.539 1.786 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.260 1.889 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.372 3.257 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.339 3.055 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.159 4.609 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.915 4.077 2.589 1.00 0.00 H new ATOM 172 N LEU A 14 -4.469 6.219 5.547 1.00 0.00 N ATOM 173 CA LEU A 14 -5.607 6.606 6.363 1.00 0.00 C ATOM 174 C LEU A 14 -6.827 5.777 5.956 1.00 0.00 C ATOM 175 O LEU A 14 -6.731 4.910 5.088 1.00 0.00 O ATOM 176 CB LEU A 14 -5.836 8.117 6.281 1.00 0.00 C ATOM 177 CG LEU A 14 -5.072 8.852 5.178 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.563 8.789 5.421 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.453 8.316 3.796 1.00 0.00 C ATOM 0 H LEU A 14 -4.632 6.260 4.541 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.412 6.392 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.902 8.296 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.564 8.558 7.240 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.359 9.903 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.043 9.319 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.329 9.255 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.240 7.748 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.896 8.856 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.213 7.254 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.522 8.456 3.633 1.00 0.00 H new ATOM 191 N VAL A 15 -7.945 6.071 6.603 1.00 0.00 N ATOM 192 CA VAL A 15 -9.182 5.363 6.320 1.00 0.00 C ATOM 193 C VAL A 15 -10.369 6.286 6.603 1.00 0.00 C ATOM 194 O VAL A 15 -10.547 6.745 7.730 1.00 0.00 O ATOM 195 CB VAL A 15 -9.233 4.059 7.119 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.667 3.733 7.543 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.620 2.905 6.325 1.00 0.00 C ATOM 0 H VAL A 15 -8.020 6.790 7.323 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.231 5.085 5.267 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.639 4.196 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.676 2.802 8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.055 4.540 8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.293 3.625 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.669 1.990 6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.174 2.767 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.579 3.133 6.096 1.00 0.00 H new ATOM 207 N GLN A 16 -11.150 6.530 5.561 1.00 0.00 N ATOM 208 CA GLN A 16 -12.315 7.389 5.684 1.00 0.00 C ATOM 209 C GLN A 16 -13.589 6.604 5.366 1.00 0.00 C ATOM 210 O GLN A 16 -14.032 6.570 4.219 1.00 0.00 O ATOM 211 CB GLN A 16 -12.188 8.617 4.780 1.00 0.00 C ATOM 212 CG GLN A 16 -12.506 9.900 5.551 1.00 0.00 C ATOM 213 CD GLN A 16 -13.881 10.447 5.160 1.00 0.00 C ATOM 214 OE1 GLN A 16 -14.030 11.585 4.747 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.874 9.575 5.314 1.00 0.00 N ATOM 0 H GLN A 16 -10.999 6.148 4.628 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.376 7.741 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.177 8.672 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.866 8.521 3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.481 9.701 6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.741 10.650 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.679 8.637 5.665 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.830 9.844 5.081 1.00 0.00 H new ATOM 224 N PRO A 17 -14.158 5.977 6.430 1.00 0.00 N ATOM 225 CA PRO A 17 -15.373 5.195 6.276 1.00 0.00 C ATOM 226 C PRO A 17 -16.593 6.103 6.116 1.00 0.00 C ATOM 227 O PRO A 17 -17.502 5.798 5.345 1.00 0.00 O ATOM 228 CB PRO A 17 -15.440 4.324 7.520 1.00 0.00 C ATOM 229 CG PRO A 17 -14.519 4.978 8.537 1.00 0.00 C ATOM 230 CD PRO A 17 -13.662 5.995 7.803 1.00 0.00 C ATOM 0 HA PRO A 17 -15.367 4.581 5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.460 4.263 7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.120 3.305 7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.100 5.463 9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.892 4.229 9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.758 6.986 8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.606 5.728 7.846 1.00 0.00 H new ATOM 238 N THR A 18 -16.575 7.202 6.856 1.00 0.00 N ATOM 239 CA THR A 18 -17.668 8.157 6.805 1.00 0.00 C ATOM 240 C THR A 18 -17.149 9.576 7.043 1.00 0.00 C ATOM 241 O THR A 18 -16.028 9.760 7.516 1.00 0.00 O ATOM 242 CB THR A 18 -18.726 7.719 7.820 1.00 0.00 C ATOM 243 OG1 THR A 18 -18.220 8.181 9.070 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.788 6.199 7.982 1.00 0.00 C ATOM 0 H THR A 18 -15.820 7.452 7.495 1.00 0.00 H new ATOM 0 HA THR A 18 -18.131 8.176 5.818 1.00 0.00 H new ATOM 0 HB THR A 18 -19.702 8.091 7.510 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.649 7.687 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.554 5.942 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.032 5.741 7.024 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.821 5.830 8.325 1.00 0.00 H new ATOM 252 N LYS A 19 -17.988 10.544 6.705 1.00 0.00 N ATOM 253 CA LYS A 19 -17.628 11.941 6.876 1.00 0.00 C ATOM 254 C LYS A 19 -17.303 12.203 8.348 1.00 0.00 C ATOM 255 O LYS A 19 -16.462 13.044 8.662 1.00 0.00 O ATOM 256 CB LYS A 19 -18.724 12.850 6.318 1.00 0.00 C ATOM 257 CG LYS A 19 -18.541 13.070 4.814 1.00 0.00 C ATOM 258 CD LYS A 19 -19.385 12.079 4.009 1.00 0.00 C ATOM 259 CE LYS A 19 -18.496 11.093 3.249 1.00 0.00 C ATOM 260 NZ LYS A 19 -18.451 11.437 1.811 1.00 0.00 N ATOM 0 H LYS A 19 -18.917 10.388 6.313 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.730 12.175 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.701 12.406 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.704 13.810 6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.825 14.090 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.489 12.955 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.049 11.533 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.017 12.621 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.488 11.108 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.877 10.080 3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.843 10.758 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.412 11.399 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.066 12.396 1.695 1.00 0.00 H new ATOM 274 N ARG A 20 -17.987 11.467 9.212 1.00 0.00 N ATOM 275 CA ARG A 20 -17.781 11.609 10.644 1.00 0.00 C ATOM 276 C ARG A 20 -16.309 11.384 10.994 1.00 0.00 C ATOM 277 O ARG A 20 -15.597 10.683 10.277 1.00 0.00 O ATOM 278 CB ARG A 20 -18.642 10.614 11.425 1.00 0.00 C ATOM 279 CG ARG A 20 -20.047 11.172 11.662 1.00 0.00 C ATOM 280 CD ARG A 20 -20.025 12.279 12.718 1.00 0.00 C ATOM 281 NE ARG A 20 -21.408 12.628 13.113 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.137 11.929 13.993 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.621 10.838 14.574 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.384 12.320 14.291 1.00 0.00 N ATOM 0 H ARG A 20 -18.684 10.771 8.948 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.073 12.622 10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.708 9.675 10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.169 10.391 12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.449 11.563 10.728 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.711 10.370 11.984 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.461 11.950 13.591 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.517 13.159 12.324 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.833 13.453 12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.673 10.539 14.346 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.176 10.306 15.244 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.778 13.150 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.939 11.788 14.961 1.00 0.00 H new ATOM 298 N PRO A 21 -15.886 12.008 12.125 1.00 0.00 N ATOM 299 CA PRO A 21 -14.511 11.883 12.579 1.00 0.00 C ATOM 300 C PRO A 21 -14.262 10.509 13.203 1.00 0.00 C ATOM 301 O PRO A 21 -13.119 10.144 13.474 1.00 0.00 O ATOM 302 CB PRO A 21 -14.316 13.026 13.562 1.00 0.00 C ATOM 303 CG PRO A 21 -15.712 13.464 13.974 1.00 0.00 C ATOM 304 CD PRO A 21 -16.701 12.846 12.999 1.00 0.00 C ATOM 0 HA PRO A 21 -13.791 11.949 11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.737 12.703 14.427 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.769 13.848 13.101 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.928 13.142 14.993 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.791 14.551 13.960 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.456 12.257 13.520 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.230 13.612 12.432 1.00 0.00 H new ATOM 312 N GLU A 22 -15.351 9.784 13.413 1.00 0.00 N ATOM 313 CA GLU A 22 -15.266 8.457 14.000 1.00 0.00 C ATOM 314 C GLU A 22 -14.192 7.631 13.290 1.00 0.00 C ATOM 315 O GLU A 22 -13.603 6.729 13.884 1.00 0.00 O ATOM 316 CB GLU A 22 -16.621 7.749 13.954 1.00 0.00 C ATOM 317 CG GLU A 22 -17.167 7.701 12.526 1.00 0.00 C ATOM 318 CD GLU A 22 -16.955 6.319 11.904 1.00 0.00 C ATOM 319 OE1 GLU A 22 -15.774 5.938 11.757 1.00 0.00 O ATOM 320 OE2 GLU A 22 -17.980 5.675 11.590 1.00 0.00 O ATOM 0 H GLU A 22 -16.297 10.090 13.187 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.983 8.562 15.047 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.519 6.736 14.342 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.329 8.268 14.600 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.230 7.942 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.671 8.457 11.918 1.00 0.00 H new ATOM 327 N GLY A 23 -13.969 7.968 12.028 1.00 0.00 N ATOM 328 CA GLY A 23 -12.976 7.269 11.231 1.00 0.00 C ATOM 329 C GLY A 23 -11.925 8.240 10.688 1.00 0.00 C ATOM 330 O GLY A 23 -11.751 8.357 9.476 1.00 0.00 O ATOM 0 H GLY A 23 -14.459 8.716 11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.491 6.504 11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.465 6.756 10.403 1.00 0.00 H new ATOM 334 N ARG A 24 -11.253 8.911 11.611 1.00 0.00 N ATOM 335 CA ARG A 24 -10.225 9.868 11.240 1.00 0.00 C ATOM 336 C ARG A 24 -8.866 9.427 11.788 1.00 0.00 C ATOM 337 O ARG A 24 -8.258 10.133 12.591 1.00 0.00 O ATOM 338 CB ARG A 24 -10.553 11.264 11.774 1.00 0.00 C ATOM 339 CG ARG A 24 -10.489 11.296 13.302 1.00 0.00 C ATOM 340 CD ARG A 24 -9.427 12.286 13.785 1.00 0.00 C ATOM 341 NE ARG A 24 -10.077 13.476 14.377 1.00 0.00 N ATOM 342 CZ ARG A 24 -9.412 14.487 14.953 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.073 14.458 15.018 1.00 0.00 N ATOM 344 NH2 ARG A 24 -10.084 15.527 15.464 1.00 0.00 N ATOM 0 H ARG A 24 -11.400 8.811 12.615 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.187 9.907 10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.851 11.989 11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.548 11.560 11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.462 11.576 13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.262 10.300 13.681 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.782 11.809 14.523 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.791 12.585 12.952 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.095 13.530 14.345 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.561 13.666 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.567 15.227 15.456 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.103 15.550 15.415 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.577 16.296 15.902 1.00 0.00 H new ATOM 358 N THR A 25 -8.430 8.262 11.332 1.00 0.00 N ATOM 359 CA THR A 25 -7.155 7.718 11.767 1.00 0.00 C ATOM 360 C THR A 25 -6.199 7.585 10.580 1.00 0.00 C ATOM 361 O THR A 25 -6.637 7.469 9.436 1.00 0.00 O ATOM 362 CB THR A 25 -7.425 6.391 12.480 1.00 0.00 C ATOM 363 OG1 THR A 25 -6.138 5.965 12.920 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.874 5.290 11.518 1.00 0.00 C ATOM 0 H THR A 25 -8.937 7.680 10.666 1.00 0.00 H new ATOM 0 HA THR A 25 -6.660 8.387 12.471 1.00 0.00 H new ATOM 0 HB THR A 25 -8.189 6.538 13.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.220 5.112 13.395 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.052 4.370 12.075 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.794 5.596 11.019 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.097 5.118 10.773 1.00 0.00 H new ATOM 372 N TYR A 26 -4.912 7.608 10.892 1.00 0.00 N ATOM 373 CA TYR A 26 -3.890 7.492 9.865 1.00 0.00 C ATOM 374 C TYR A 26 -2.732 6.613 10.341 1.00 0.00 C ATOM 375 O TYR A 26 -2.732 6.141 11.477 1.00 0.00 O ATOM 376 CB TYR A 26 -3.372 8.911 9.624 1.00 0.00 C ATOM 377 CG TYR A 26 -4.474 9.968 9.526 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.176 10.340 10.654 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.766 10.550 8.309 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.213 11.334 10.562 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.804 11.545 8.217 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.476 11.888 9.348 1.00 0.00 C ATOM 383 OH TYR A 26 -7.456 12.827 9.261 1.00 0.00 O ATOM 0 H TYR A 26 -4.553 7.705 11.842 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.301 7.038 8.963 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.694 9.182 10.434 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.789 8.922 8.703 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.947 9.885 11.606 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.216 10.260 7.426 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.770 11.633 11.438 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.043 12.008 7.271 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.532 13.135 8.334 1.00 0.00 H new ATOM 393 N ALA A 27 -1.773 6.419 9.447 1.00 0.00 N ATOM 394 CA ALA A 27 -0.611 5.605 9.761 1.00 0.00 C ATOM 395 C ALA A 27 0.609 6.158 9.022 1.00 0.00 C ATOM 396 O ALA A 27 0.494 7.112 8.254 1.00 0.00 O ATOM 397 CB ALA A 27 -0.898 4.146 9.403 1.00 0.00 C ATOM 0 H ALA A 27 -1.777 6.812 8.506 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.394 5.642 10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.026 3.535 9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.755 3.792 9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.118 4.069 8.338 1.00 0.00 H new ATOM 403 N ASP A 28 1.749 5.535 9.280 1.00 0.00 N ATOM 404 CA ASP A 28 2.989 5.953 8.648 1.00 0.00 C ATOM 405 C ASP A 28 3.854 4.722 8.367 1.00 0.00 C ATOM 406 O ASP A 28 4.026 3.869 9.237 1.00 0.00 O ATOM 407 CB ASP A 28 3.783 6.890 9.560 1.00 0.00 C ATOM 408 CG ASP A 28 3.821 6.480 11.033 1.00 0.00 C ATOM 409 OD1 ASP A 28 4.060 5.279 11.282 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.611 7.378 11.878 1.00 0.00 O ATOM 0 H ASP A 28 1.840 4.744 9.918 1.00 0.00 H new ATOM 0 HA ASP A 28 2.737 6.475 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.806 6.952 9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.356 7.890 9.488 1.00 0.00 H new ATOM 415 N TYR A 29 4.375 4.669 7.150 1.00 0.00 N ATOM 416 CA TYR A 29 5.217 3.557 6.744 1.00 0.00 C ATOM 417 C TYR A 29 6.469 4.054 6.018 1.00 0.00 C ATOM 418 O TYR A 29 6.653 5.258 5.844 1.00 0.00 O ATOM 419 CB TYR A 29 4.377 2.724 5.775 1.00 0.00 C ATOM 420 CG TYR A 29 3.163 2.054 6.422 1.00 0.00 C ATOM 421 CD1 TYR A 29 3.314 0.866 7.108 1.00 0.00 C ATOM 422 CD2 TYR A 29 1.916 2.636 6.318 1.00 0.00 C ATOM 423 CE1 TYR A 29 2.172 0.235 7.717 1.00 0.00 C ATOM 424 CE2 TYR A 29 0.774 2.006 6.926 1.00 0.00 C ATOM 425 CZ TYR A 29 0.958 0.836 7.596 1.00 0.00 C ATOM 426 OH TYR A 29 -0.121 0.241 8.171 1.00 0.00 O ATOM 0 H TYR A 29 4.230 5.379 6.432 1.00 0.00 H new ATOM 0 HA TYR A 29 5.543 2.985 7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.035 3.365 4.963 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.009 1.956 5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.289 0.409 7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.797 3.565 5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.277 -0.694 8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.207 2.452 6.852 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.921 0.783 8.005 1.00 0.00 H new ATOM 436 N GLU A 30 7.297 3.102 5.615 1.00 0.00 N ATOM 437 CA GLU A 30 8.526 3.427 4.911 1.00 0.00 C ATOM 438 C GLU A 30 8.448 2.954 3.459 1.00 0.00 C ATOM 439 O GLU A 30 9.082 3.534 2.578 1.00 0.00 O ATOM 440 CB GLU A 30 9.740 2.823 5.620 1.00 0.00 C ATOM 441 CG GLU A 30 9.497 1.352 5.965 1.00 0.00 C ATOM 442 CD GLU A 30 10.765 0.705 6.527 1.00 0.00 C ATOM 443 OE1 GLU A 30 11.850 1.029 5.999 1.00 0.00 O ATOM 444 OE2 GLU A 30 10.619 -0.100 7.473 1.00 0.00 O ATOM 0 H GLU A 30 7.141 2.105 5.763 1.00 0.00 H new ATOM 0 HA GLU A 30 8.647 4.510 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.619 2.910 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.950 3.384 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.691 1.274 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.174 0.814 5.074 1.00 0.00 H new ATOM 451 N SER A 31 7.664 1.906 3.253 1.00 0.00 N ATOM 452 CA SER A 31 7.495 1.348 1.922 1.00 0.00 C ATOM 453 C SER A 31 6.024 1.421 1.507 1.00 0.00 C ATOM 454 O SER A 31 5.132 1.316 2.348 1.00 0.00 O ATOM 455 CB SER A 31 7.992 -0.098 1.863 1.00 0.00 C ATOM 456 OG SER A 31 9.385 -0.172 1.575 1.00 0.00 O ATOM 0 H SER A 31 7.139 1.429 3.986 1.00 0.00 H new ATOM 0 HA SER A 31 8.092 1.937 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.792 -0.589 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.435 -0.642 1.100 1.00 0.00 H new ATOM 0 HG SER A 31 9.664 -1.111 1.548 1.00 0.00 H new ATOM 462 N VAL A 32 5.815 1.600 0.211 1.00 0.00 N ATOM 463 CA VAL A 32 4.468 1.688 -0.325 1.00 0.00 C ATOM 464 C VAL A 32 3.710 0.399 -0.003 1.00 0.00 C ATOM 465 O VAL A 32 2.604 0.442 0.533 1.00 0.00 O ATOM 466 CB VAL A 32 4.520 1.993 -1.824 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.184 1.668 -2.496 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.920 3.449 -2.074 1.00 0.00 C ATOM 0 H VAL A 32 6.557 1.686 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 32 3.924 2.510 0.142 1.00 0.00 H new ATOM 0 HB VAL A 32 5.283 1.355 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.248 1.894 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.957 0.610 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.394 2.268 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.949 3.639 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.191 4.112 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.905 3.634 -1.646 1.00 0.00 H new ATOM 478 N ASN A 33 4.336 -0.718 -0.344 1.00 0.00 N ATOM 479 CA ASN A 33 3.734 -2.018 -0.098 1.00 0.00 C ATOM 480 C ASN A 33 3.144 -2.043 1.313 1.00 0.00 C ATOM 481 O ASN A 33 2.010 -2.478 1.508 1.00 0.00 O ATOM 482 CB ASN A 33 4.776 -3.134 -0.195 1.00 0.00 C ATOM 483 CG ASN A 33 6.154 -2.638 0.247 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.906 -2.053 -0.515 1.00 0.00 O ATOM 485 ND2 ASN A 33 6.443 -2.903 1.518 1.00 0.00 N ATOM 0 H ASN A 33 5.254 -0.750 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 33 2.961 -2.180 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.472 -3.975 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.829 -3.499 -1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.339 -2.612 1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.768 -3.397 2.102 1.00 0.00 H new ATOM 492 N GLU A 34 3.940 -1.571 2.261 1.00 0.00 N ATOM 493 CA GLU A 34 3.511 -1.534 3.649 1.00 0.00 C ATOM 494 C GLU A 34 2.189 -0.775 3.775 1.00 0.00 C ATOM 495 O GLU A 34 1.236 -1.275 4.371 1.00 0.00 O ATOM 496 CB GLU A 34 4.588 -0.912 4.540 1.00 0.00 C ATOM 497 CG GLU A 34 5.885 -1.723 4.480 1.00 0.00 C ATOM 498 CD GLU A 34 5.649 -3.168 4.925 1.00 0.00 C ATOM 499 OE1 GLU A 34 4.762 -3.359 5.784 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.362 -4.048 4.396 1.00 0.00 O ATOM 0 H GLU A 34 4.880 -1.211 2.095 1.00 0.00 H new ATOM 0 HA GLU A 34 3.354 -2.558 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.781 0.113 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.231 -0.865 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.279 -1.711 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.637 -1.260 5.119 1.00 0.00 H new ATOM 507 N CYS A 35 2.174 0.421 3.205 1.00 0.00 N ATOM 508 CA CYS A 35 0.984 1.255 3.247 1.00 0.00 C ATOM 509 C CYS A 35 -0.224 0.385 2.892 1.00 0.00 C ATOM 510 O CYS A 35 -1.216 0.370 3.619 1.00 0.00 O ATOM 511 CB CYS A 35 1.109 2.465 2.319 1.00 0.00 C ATOM 512 SG CYS A 35 -0.518 3.284 2.136 1.00 0.00 S ATOM 0 H CYS A 35 2.966 0.833 2.712 1.00 0.00 H new ATOM 0 HA CYS A 35 0.856 1.661 4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.837 3.169 2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.478 2.149 1.343 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.679 3.659 0.902 1.00 0.00 H new ATOM 518 N MET A 36 -0.100 -0.317 1.775 1.00 0.00 N ATOM 519 CA MET A 36 -1.170 -1.186 1.315 1.00 0.00 C ATOM 520 C MET A 36 -1.640 -2.116 2.435 1.00 0.00 C ATOM 521 O MET A 36 -2.838 -2.239 2.683 1.00 0.00 O ATOM 522 CB MET A 36 -0.677 -2.020 0.131 1.00 0.00 C ATOM 523 CG MET A 36 -0.114 -1.124 -0.974 1.00 0.00 C ATOM 524 SD MET A 36 -1.256 0.202 -1.325 1.00 0.00 S ATOM 525 CE MET A 36 -0.106 1.486 -1.789 1.00 0.00 C ATOM 0 H MET A 36 0.725 -0.302 1.175 1.00 0.00 H new ATOM 0 HA MET A 36 -2.011 -0.565 1.007 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.092 -2.716 0.467 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.498 -2.618 -0.264 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.848 -0.715 -0.667 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.063 -1.711 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.648 2.417 -1.956 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.622 1.628 -0.991 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.411 1.198 -2.705 1.00 0.00 H new ATOM 535 N GLU A 37 -0.671 -2.748 3.082 1.00 0.00 N ATOM 536 CA GLU A 37 -0.971 -3.664 4.169 1.00 0.00 C ATOM 537 C GLU A 37 -2.123 -3.122 5.018 1.00 0.00 C ATOM 538 O GLU A 37 -3.170 -3.757 5.127 1.00 0.00 O ATOM 539 CB GLU A 37 0.270 -3.920 5.028 1.00 0.00 C ATOM 540 CG GLU A 37 0.511 -5.420 5.210 1.00 0.00 C ATOM 541 CD GLU A 37 1.163 -5.710 6.563 1.00 0.00 C ATOM 542 OE1 GLU A 37 0.551 -5.323 7.582 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.258 -6.312 6.548 1.00 0.00 O ATOM 0 H GLU A 37 0.322 -2.643 2.874 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.279 -4.617 3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.141 -3.462 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.146 -3.447 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.435 -5.956 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.150 -5.789 4.408 1.00 0.00 H new ATOM 550 N GLY A 38 -1.890 -1.953 5.596 1.00 0.00 N ATOM 551 CA GLY A 38 -2.895 -1.318 6.432 1.00 0.00 C ATOM 552 C GLY A 38 -4.300 -1.557 5.876 1.00 0.00 C ATOM 553 O GLY A 38 -5.231 -1.835 6.631 1.00 0.00 O ATOM 0 H GLY A 38 -1.020 -1.429 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.830 -1.710 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.701 -0.247 6.491 1.00 0.00 H new ATOM 557 N VAL A 39 -4.410 -1.441 4.561 1.00 0.00 N ATOM 558 CA VAL A 39 -5.686 -1.641 3.895 1.00 0.00 C ATOM 559 C VAL A 39 -6.122 -3.097 4.065 1.00 0.00 C ATOM 560 O VAL A 39 -7.245 -3.367 4.488 1.00 0.00 O ATOM 561 CB VAL A 39 -5.584 -1.214 2.429 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.917 -1.415 1.706 1.00 0.00 C ATOM 563 CG2 VAL A 39 -5.109 0.235 2.311 1.00 0.00 C ATOM 0 H VAL A 39 -3.636 -1.211 3.938 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.456 -1.016 4.348 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.842 -1.849 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.817 -1.104 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.197 -2.468 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.688 -0.817 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.045 0.512 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.816 0.892 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.127 0.335 2.773 1.00 0.00 H new ATOM 573 N CYS A 40 -5.211 -3.998 3.727 1.00 0.00 N ATOM 574 CA CYS A 40 -5.487 -5.420 3.837 1.00 0.00 C ATOM 575 C CYS A 40 -5.742 -5.747 5.310 1.00 0.00 C ATOM 576 O CYS A 40 -6.634 -6.532 5.630 1.00 0.00 O ATOM 577 CB CYS A 40 -4.352 -6.264 3.254 1.00 0.00 C ATOM 578 SG CYS A 40 -3.298 -6.913 4.601 1.00 0.00 S ATOM 0 H CYS A 40 -4.281 -3.770 3.377 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.373 -5.667 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.763 -7.090 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.753 -5.661 2.571 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.339 -7.630 4.095 1.00 0.00 H new ATOM 584 N LYS A 41 -4.943 -5.129 6.168 1.00 0.00 N ATOM 585 CA LYS A 41 -5.071 -5.345 7.599 1.00 0.00 C ATOM 586 C LYS A 41 -6.529 -5.133 8.014 1.00 0.00 C ATOM 587 O LYS A 41 -7.148 -6.024 8.593 1.00 0.00 O ATOM 588 CB LYS A 41 -4.080 -4.466 8.364 1.00 0.00 C ATOM 589 CG LYS A 41 -2.637 -4.836 8.017 1.00 0.00 C ATOM 590 CD LYS A 41 -2.282 -6.224 8.554 1.00 0.00 C ATOM 591 CE LYS A 41 -2.837 -6.423 9.966 1.00 0.00 C ATOM 592 NZ LYS A 41 -2.246 -7.627 10.590 1.00 0.00 N ATOM 0 H LYS A 41 -4.205 -4.479 5.899 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.813 -6.373 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.258 -3.418 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.240 -4.579 9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.503 -4.815 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.957 -4.095 8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.684 -6.989 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.199 -6.348 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.619 -5.546 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.922 -6.522 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.633 -7.747 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.475 -8.463 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.213 -7.518 10.646 1.00 0.00 H new ATOM 606 N MET A 42 -7.034 -3.949 7.701 1.00 0.00 N ATOM 607 CA MET A 42 -8.407 -3.609 8.034 1.00 0.00 C ATOM 608 C MET A 42 -9.321 -4.829 7.901 1.00 0.00 C ATOM 609 O MET A 42 -9.839 -5.332 8.897 1.00 0.00 O ATOM 610 CB MET A 42 -8.898 -2.499 7.103 1.00 0.00 C ATOM 611 CG MET A 42 -8.552 -1.119 7.666 1.00 0.00 C ATOM 612 SD MET A 42 -7.513 -0.234 6.515 1.00 0.00 S ATOM 613 CE MET A 42 -8.591 -0.192 5.093 1.00 0.00 C ATOM 0 H MET A 42 -6.517 -3.213 7.220 1.00 0.00 H new ATOM 0 HA MET A 42 -8.437 -3.267 9.069 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.445 -2.618 6.119 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.977 -2.582 6.970 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.465 -0.554 7.853 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.041 -1.225 8.623 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.329 0.658 4.462 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.479 -1.115 4.524 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.625 -0.093 5.423 1.00 0.00 H new ATOM 623 N TYR A 43 -9.492 -5.269 6.663 1.00 0.00 N ATOM 624 CA TYR A 43 -10.334 -6.420 6.387 1.00 0.00 C ATOM 625 C TYR A 43 -9.859 -7.647 7.168 1.00 0.00 C ATOM 626 O TYR A 43 -10.671 -8.392 7.714 1.00 0.00 O ATOM 627 CB TYR A 43 -10.193 -6.697 4.889 1.00 0.00 C ATOM 628 CG TYR A 43 -11.336 -7.525 4.299 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.565 -6.940 4.070 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.138 -8.857 3.995 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.641 -7.720 3.514 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.214 -9.636 3.439 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.412 -9.029 3.226 1.00 0.00 C ATOM 634 OH TYR A 43 -14.428 -9.765 2.701 1.00 0.00 O ATOM 0 H TYR A 43 -9.061 -4.849 5.839 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.365 -6.220 6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.135 -5.747 4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.252 -7.218 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.720 -5.898 4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.176 -9.315 4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.608 -7.275 3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.073 -10.679 3.197 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.657 -9.420 1.813 1.00 0.00 H new ATOM 644 N GLU A 44 -8.546 -7.819 7.195 1.00 0.00 N ATOM 645 CA GLU A 44 -7.953 -8.943 7.900 1.00 0.00 C ATOM 646 C GLU A 44 -8.452 -8.986 9.346 1.00 0.00 C ATOM 647 O GLU A 44 -8.743 -10.058 9.874 1.00 0.00 O ATOM 648 CB GLU A 44 -6.425 -8.878 7.849 1.00 0.00 C ATOM 649 CG GLU A 44 -5.908 -9.227 6.452 1.00 0.00 C ATOM 650 CD GLU A 44 -4.867 -10.346 6.517 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.294 -10.526 7.614 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.667 -10.997 5.469 1.00 0.00 O ATOM 0 H GLU A 44 -7.876 -7.199 6.740 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.262 -9.862 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.091 -7.878 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.003 -9.568 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.740 -9.536 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.468 -8.342 5.992 1.00 0.00 H new ATOM 659 N GLU A 45 -8.536 -7.807 9.944 1.00 0.00 N ATOM 660 CA GLU A 45 -8.995 -7.697 11.319 1.00 0.00 C ATOM 661 C GLU A 45 -10.368 -8.354 11.474 1.00 0.00 C ATOM 662 O GLU A 45 -10.562 -9.194 12.351 1.00 0.00 O ATOM 663 CB GLU A 45 -9.034 -6.235 11.768 1.00 0.00 C ATOM 664 CG GLU A 45 -7.714 -5.528 11.450 1.00 0.00 C ATOM 665 CD GLU A 45 -6.941 -5.208 12.730 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.212 -6.112 13.194 1.00 0.00 O ATOM 667 OE2 GLU A 45 -7.096 -4.067 13.216 1.00 0.00 O ATOM 0 H GLU A 45 -8.294 -6.920 9.502 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.288 -8.222 11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.856 -5.720 11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.229 -6.185 12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.106 -6.160 10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.913 -4.607 10.902 1.00 0.00 H new ATOM 674 N HIS A 46 -11.285 -7.947 10.609 1.00 0.00 N ATOM 675 CA HIS A 46 -12.634 -8.486 10.639 1.00 0.00 C ATOM 676 C HIS A 46 -12.605 -9.964 10.246 1.00 0.00 C ATOM 677 O HIS A 46 -13.598 -10.673 10.407 1.00 0.00 O ATOM 678 CB HIS A 46 -13.571 -7.657 9.758 1.00 0.00 C ATOM 679 CG HIS A 46 -14.646 -8.466 9.073 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.934 -8.573 9.569 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.612 -9.204 7.927 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.635 -9.344 8.751 1.00 0.00 C ATOM 683 NE2 HIS A 46 -15.814 -9.734 7.734 1.00 0.00 N ATOM 0 H HIS A 46 -11.120 -7.250 9.883 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.032 -8.422 11.652 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.043 -6.889 10.370 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.980 -7.142 9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -13.753 -9.335 7.285 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.674 -9.616 8.869 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.080 -10.334 6.953 1.00 0.00 H new ATOM 691 N LEU A 47 -11.456 -10.386 9.739 1.00 0.00 N ATOM 692 CA LEU A 47 -11.285 -11.767 9.321 1.00 0.00 C ATOM 693 C LEU A 47 -10.918 -12.621 10.537 1.00 0.00 C ATOM 694 O LEU A 47 -11.448 -13.717 10.713 1.00 0.00 O ATOM 695 CB LEU A 47 -10.273 -11.860 8.177 1.00 0.00 C ATOM 696 CG LEU A 47 -10.858 -12.076 6.780 1.00 0.00 C ATOM 697 CD1 LEU A 47 -11.978 -11.074 6.494 1.00 0.00 C ATOM 698 CD2 LEU A 47 -9.762 -12.032 5.714 1.00 0.00 C ATOM 0 H LEU A 47 -10.634 -9.796 9.608 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.219 -12.163 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.683 -10.943 8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.586 -12.678 8.392 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.301 -13.071 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.377 -11.249 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.773 -11.198 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.583 -10.060 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.205 -12.188 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.268 -11.061 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.031 -12.816 5.911 1.00 0.00 H new ATOM 710 N LYS A 48 -10.013 -12.086 11.344 1.00 0.00 N ATOM 711 CA LYS A 48 -9.569 -12.786 12.538 1.00 0.00 C ATOM 712 C LYS A 48 -10.740 -13.575 13.126 1.00 0.00 C ATOM 713 O LYS A 48 -10.754 -14.804 13.072 1.00 0.00 O ATOM 714 CB LYS A 48 -8.929 -11.807 13.525 1.00 0.00 C ATOM 715 CG LYS A 48 -7.981 -10.845 12.807 1.00 0.00 C ATOM 716 CD LYS A 48 -7.083 -11.595 11.820 1.00 0.00 C ATOM 717 CE LYS A 48 -5.671 -11.007 11.808 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.734 -11.893 12.535 1.00 0.00 N ATOM 0 H LYS A 48 -9.575 -11.177 11.195 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.791 -13.508 12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.707 -11.241 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.382 -12.360 14.288 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.558 -10.088 12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.366 -10.321 13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.039 -12.650 12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.512 -11.541 10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.334 -10.877 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.678 -10.019 12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.780 -11.479 12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.048 -11.996 13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.714 -12.827 12.078 1.00 0.00 H new ATOM 732 N ARG A 49 -11.694 -12.838 13.675 1.00 0.00 N ATOM 733 CA ARG A 49 -12.866 -13.454 14.272 1.00 0.00 C ATOM 734 C ARG A 49 -13.426 -14.537 13.348 1.00 0.00 C ATOM 735 O ARG A 49 -13.821 -15.607 13.808 1.00 0.00 O ATOM 736 CB ARG A 49 -13.955 -12.415 14.547 1.00 0.00 C ATOM 737 CG ARG A 49 -13.925 -11.300 13.500 1.00 0.00 C ATOM 738 CD ARG A 49 -15.339 -10.958 13.023 1.00 0.00 C ATOM 739 NE ARG A 49 -15.524 -9.490 12.999 1.00 0.00 N ATOM 740 CZ ARG A 49 -15.372 -8.696 14.067 1.00 0.00 C ATOM 741 NH1 ARG A 49 -15.032 -9.224 15.251 1.00 0.00 N ATOM 742 NH2 ARG A 49 -15.560 -7.374 13.952 1.00 0.00 N ATOM 0 H ARG A 49 -11.679 -11.819 13.719 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.559 -13.901 15.217 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.932 -12.897 14.542 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.814 -11.990 15.541 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.455 -10.412 13.923 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.316 -11.610 12.651 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.505 -11.370 12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.075 -11.415 13.684 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.784 -9.055 12.113 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.889 -10.230 15.339 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.916 -8.620 16.065 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.819 -6.972 13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.444 -6.770 14.766 1.00 0.00 H new ATOM 756 N MET A 50 -13.442 -14.221 12.061 1.00 0.00 N ATOM 757 CA MET A 50 -13.947 -15.154 11.068 1.00 0.00 C ATOM 758 C MET A 50 -13.023 -16.367 10.935 1.00 0.00 C ATOM 759 O MET A 50 -13.485 -17.479 10.688 1.00 0.00 O ATOM 760 CB MET A 50 -14.062 -14.448 9.716 1.00 0.00 C ATOM 761 CG MET A 50 -14.857 -13.148 9.842 1.00 0.00 C ATOM 762 SD MET A 50 -16.602 -13.479 9.664 1.00 0.00 S ATOM 763 CE MET A 50 -16.599 -14.315 8.086 1.00 0.00 C ATOM 0 H MET A 50 -13.113 -13.332 11.683 1.00 0.00 H new ATOM 0 HA MET A 50 -14.928 -15.503 11.390 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.066 -14.233 9.328 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.549 -15.108 8.998 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.663 -12.686 10.810 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.533 -12.439 9.080 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.504 -14.057 7.536 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.725 -14.006 7.512 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.566 -15.393 8.245 1.00 0.00 H new ATOM 773 N ASN A 51 -11.734 -16.109 11.104 1.00 0.00 N ATOM 774 CA ASN A 51 -10.741 -17.166 11.006 1.00 0.00 C ATOM 775 C ASN A 51 -9.653 -16.936 12.056 1.00 0.00 C ATOM 776 O ASN A 51 -8.745 -16.132 11.849 1.00 0.00 O ATOM 777 CB ASN A 51 -10.076 -17.169 9.628 1.00 0.00 C ATOM 778 CG ASN A 51 -11.104 -16.924 8.522 1.00 0.00 C ATOM 779 OD1 ASN A 51 -11.646 -17.841 7.928 1.00 0.00 O ATOM 780 ND2 ASN A 51 -11.340 -15.638 8.279 1.00 0.00 N ATOM 0 H ASN A 51 -11.355 -15.184 11.308 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.245 -18.119 11.166 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.306 -16.399 9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.579 -18.125 9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.010 -15.370 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.851 -14.920 8.814 1.00 0.00 H new ATOM 787 N PRO A 52 -9.783 -17.674 13.190 1.00 0.00 N ATOM 788 CA PRO A 52 -8.822 -17.559 14.274 1.00 0.00 C ATOM 789 C PRO A 52 -7.512 -18.267 13.922 1.00 0.00 C ATOM 790 O PRO A 52 -6.479 -17.622 13.753 1.00 0.00 O ATOM 791 CB PRO A 52 -9.517 -18.163 15.483 1.00 0.00 C ATOM 792 CG PRO A 52 -10.652 -19.009 14.931 1.00 0.00 C ATOM 793 CD PRO A 52 -10.846 -18.636 13.471 1.00 0.00 C ATOM 0 HA PRO A 52 -8.534 -16.527 14.472 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.826 -18.770 16.068 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.896 -17.384 16.145 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.418 -20.069 15.026 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.568 -18.833 15.495 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.769 -19.511 12.825 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.830 -18.200 13.301 1.00 0.00 H new ATOM 801 N ASN A 53 -7.598 -19.586 13.822 1.00 0.00 N ATOM 802 CA ASN A 53 -6.432 -20.389 13.494 1.00 0.00 C ATOM 803 C ASN A 53 -5.642 -19.700 12.379 1.00 0.00 C ATOM 804 O ASN A 53 -4.427 -19.866 12.282 1.00 0.00 O ATOM 805 CB ASN A 53 -6.842 -21.776 12.995 1.00 0.00 C ATOM 806 CG ASN A 53 -7.717 -21.673 11.744 1.00 0.00 C ATOM 807 OD1 ASN A 53 -7.244 -21.691 10.620 1.00 0.00 O ATOM 808 ND2 ASN A 53 -9.018 -21.564 12.002 1.00 0.00 N ATOM 0 H ASN A 53 -8.457 -20.118 13.962 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.829 -20.494 14.396 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.952 -22.364 12.773 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.384 -22.303 13.780 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.686 -21.489 11.234 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.348 -21.555 12.967 1.00 0.00 H new ATOM 815 N SER A 54 -6.363 -18.943 11.567 1.00 0.00 N ATOM 816 CA SER A 54 -5.744 -18.228 10.463 1.00 0.00 C ATOM 817 C SER A 54 -4.362 -17.720 10.878 1.00 0.00 C ATOM 818 O SER A 54 -4.248 -16.686 11.535 1.00 0.00 O ATOM 819 CB SER A 54 -6.621 -17.063 10.000 1.00 0.00 C ATOM 820 OG SER A 54 -6.550 -15.954 10.892 1.00 0.00 O ATOM 0 H SER A 54 -7.371 -18.808 11.651 1.00 0.00 H new ATOM 0 HA SER A 54 -5.634 -18.919 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.309 -16.748 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.655 -17.398 9.919 1.00 0.00 H new ATOM 0 HG SER A 54 -7.218 -16.061 11.601 1.00 0.00 H new ATOM 826 N PRO A 55 -3.319 -18.490 10.467 1.00 0.00 N ATOM 827 CA PRO A 55 -1.949 -18.129 10.789 1.00 0.00 C ATOM 828 C PRO A 55 -1.473 -16.961 9.924 1.00 0.00 C ATOM 829 O PRO A 55 -0.855 -16.023 10.426 1.00 0.00 O ATOM 830 CB PRO A 55 -1.145 -19.399 10.568 1.00 0.00 C ATOM 831 CG PRO A 55 -2.007 -20.291 9.690 1.00 0.00 C ATOM 832 CD PRO A 55 -3.416 -19.721 9.688 1.00 0.00 C ATOM 0 HA PRO A 55 -1.836 -17.776 11.814 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.193 -19.179 10.086 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.917 -19.887 11.516 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.609 -20.328 8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.009 -21.313 10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.761 -19.521 8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.126 -20.417 10.135 1.00 0.00 H new ATOM 840 N SER A 56 -1.778 -17.056 8.638 1.00 0.00 N ATOM 841 CA SER A 56 -1.388 -16.019 7.698 1.00 0.00 C ATOM 842 C SER A 56 -2.625 -15.467 6.985 1.00 0.00 C ATOM 843 O SER A 56 -2.519 -14.550 6.171 1.00 0.00 O ATOM 844 CB SER A 56 -0.380 -16.551 6.677 1.00 0.00 C ATOM 845 OG SER A 56 -0.011 -15.558 5.724 1.00 0.00 O ATOM 0 H SER A 56 -2.291 -17.835 8.225 1.00 0.00 H new ATOM 0 HA SER A 56 -0.908 -15.215 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.511 -16.903 7.197 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.807 -17.410 6.159 1.00 0.00 H new ATOM 0 HG SER A 56 -0.700 -14.862 5.694 1.00 0.00 H new ATOM 851 N ILE A 57 -3.768 -16.049 7.316 1.00 0.00 N ATOM 852 CA ILE A 57 -5.023 -15.628 6.717 1.00 0.00 C ATOM 853 C ILE A 57 -4.992 -15.923 5.216 1.00 0.00 C ATOM 854 O ILE A 57 -3.935 -16.218 4.660 1.00 0.00 O ATOM 855 CB ILE A 57 -5.309 -14.162 7.050 1.00 0.00 C ATOM 856 CG1 ILE A 57 -5.460 -13.961 8.559 1.00 0.00 C ATOM 857 CG2 ILE A 57 -6.529 -13.653 6.279 1.00 0.00 C ATOM 858 CD1 ILE A 57 -6.854 -13.435 8.906 1.00 0.00 C ATOM 0 H ILE A 57 -3.851 -16.809 7.991 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.854 -16.195 7.136 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.454 -13.566 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.285 -14.905 9.074 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.704 -13.260 8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.711 -12.609 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.344 -13.739 5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.402 -14.249 6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.934 -13.301 9.985 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.016 -12.479 8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.606 -14.150 8.572 1.00 0.00 H new ATOM 870 N THR A 58 -6.163 -15.833 4.604 1.00 0.00 N ATOM 871 CA THR A 58 -6.284 -16.087 3.178 1.00 0.00 C ATOM 872 C THR A 58 -7.722 -15.852 2.714 1.00 0.00 C ATOM 873 O THR A 58 -8.667 -16.318 3.349 1.00 0.00 O ATOM 874 CB THR A 58 -5.782 -17.507 2.907 1.00 0.00 C ATOM 875 OG1 THR A 58 -5.159 -17.417 1.629 1.00 0.00 O ATOM 876 CG2 THR A 58 -6.926 -18.501 2.695 1.00 0.00 C ATOM 0 H THR A 58 -7.037 -15.588 5.069 1.00 0.00 H new ATOM 0 HA THR A 58 -5.673 -15.394 2.600 1.00 0.00 H new ATOM 0 HB THR A 58 -5.162 -17.838 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.803 -18.294 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.516 -19.493 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.552 -18.531 3.587 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.526 -18.188 1.841 1.00 0.00 H new ATOM 884 N TYR A 59 -7.843 -15.129 1.610 1.00 0.00 N ATOM 885 CA TYR A 59 -9.151 -14.826 1.054 1.00 0.00 C ATOM 886 C TYR A 59 -9.022 -14.021 -0.241 1.00 0.00 C ATOM 887 O TYR A 59 -8.000 -13.380 -0.479 1.00 0.00 O ATOM 888 CB TYR A 59 -9.868 -13.972 2.102 1.00 0.00 C ATOM 889 CG TYR A 59 -9.090 -12.725 2.526 1.00 0.00 C ATOM 890 CD1 TYR A 59 -8.091 -12.824 3.474 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.386 -11.501 1.962 1.00 0.00 C ATOM 892 CE1 TYR A 59 -7.359 -11.650 3.874 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.654 -10.327 2.361 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.676 -10.460 3.298 1.00 0.00 C ATOM 895 OH TYR A 59 -6.985 -9.351 3.675 1.00 0.00 O ATOM 0 H TYR A 59 -7.057 -14.744 1.086 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.692 -15.744 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.836 -13.666 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.062 -14.584 2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.859 -13.782 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.167 -11.423 1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.576 -11.713 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.876 -9.363 1.927 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.614 -8.634 3.900 1.00 0.00 H new ATOM 905 N ASP A 60 -10.075 -14.081 -1.044 1.00 0.00 N ATOM 906 CA ASP A 60 -10.092 -13.366 -2.309 1.00 0.00 C ATOM 907 C ASP A 60 -9.780 -11.889 -2.059 1.00 0.00 C ATOM 908 O ASP A 60 -9.884 -11.411 -0.931 1.00 0.00 O ATOM 909 CB ASP A 60 -11.469 -13.452 -2.972 1.00 0.00 C ATOM 910 CG ASP A 60 -12.001 -14.873 -3.173 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.664 -15.462 -4.222 1.00 0.00 O ATOM 912 OD2 ASP A 60 -12.734 -15.337 -2.273 1.00 0.00 O ATOM 0 H ASP A 60 -10.922 -14.613 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.347 -13.820 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.183 -12.895 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.420 -12.957 -3.942 1.00 0.00 H new ATOM 917 N ILE A 61 -9.404 -11.207 -3.131 1.00 0.00 N ATOM 918 CA ILE A 61 -9.076 -9.794 -3.042 1.00 0.00 C ATOM 919 C ILE A 61 -10.338 -8.966 -3.292 1.00 0.00 C ATOM 920 O ILE A 61 -10.596 -7.993 -2.583 1.00 0.00 O ATOM 921 CB ILE A 61 -7.920 -9.453 -3.985 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.628 -9.208 -3.202 1.00 0.00 C ATOM 923 CG2 ILE A 61 -8.278 -8.268 -4.885 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.416 -9.193 -4.135 1.00 0.00 C ATOM 0 H ILE A 61 -9.319 -11.607 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.724 -9.546 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.745 -10.310 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.695 -8.258 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.502 -9.986 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.440 -8.046 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.155 -8.517 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.495 -7.396 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.511 -9.017 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.338 -10.153 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.534 -8.398 -4.872 1.00 0.00 H new ATOM 936 N SER A 62 -11.090 -9.381 -4.300 1.00 0.00 N ATOM 937 CA SER A 62 -12.319 -8.689 -4.651 1.00 0.00 C ATOM 938 C SER A 62 -13.292 -8.720 -3.471 1.00 0.00 C ATOM 939 O SER A 62 -14.267 -7.969 -3.446 1.00 0.00 O ATOM 940 CB SER A 62 -12.966 -9.311 -5.890 1.00 0.00 C ATOM 941 OG SER A 62 -12.930 -8.431 -7.010 1.00 0.00 O ATOM 0 H SER A 62 -10.872 -10.188 -4.885 1.00 0.00 H new ATOM 0 HA SER A 62 -12.074 -7.653 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.451 -10.238 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.001 -9.571 -5.667 1.00 0.00 H new ATOM 0 HG SER A 62 -13.351 -8.865 -7.781 1.00 0.00 H new ATOM 947 N GLN A 63 -12.995 -9.595 -2.522 1.00 0.00 N ATOM 948 CA GLN A 63 -13.832 -9.734 -1.342 1.00 0.00 C ATOM 949 C GLN A 63 -13.464 -8.672 -0.304 1.00 0.00 C ATOM 950 O GLN A 63 -14.311 -8.247 0.481 1.00 0.00 O ATOM 951 CB GLN A 63 -13.719 -11.141 -0.752 1.00 0.00 C ATOM 952 CG GLN A 63 -14.663 -12.111 -1.463 1.00 0.00 C ATOM 953 CD GLN A 63 -16.055 -12.087 -0.828 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.331 -12.763 0.150 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.913 -11.272 -1.435 1.00 0.00 N ATOM 0 H GLN A 63 -12.186 -10.215 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.871 -9.582 -1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.692 -11.496 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.954 -11.113 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.736 -11.846 -2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.255 -13.121 -1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.617 -10.734 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.867 -11.184 -1.086 1.00 0.00 H new ATOM 964 N LEU A 64 -12.201 -8.274 -0.333 1.00 0.00 N ATOM 965 CA LEU A 64 -11.711 -7.270 0.597 1.00 0.00 C ATOM 966 C LEU A 64 -11.941 -5.878 0.004 1.00 0.00 C ATOM 967 O LEU A 64 -12.168 -4.917 0.738 1.00 0.00 O ATOM 968 CB LEU A 64 -10.253 -7.548 0.966 1.00 0.00 C ATOM 969 CG LEU A 64 -9.295 -6.360 0.855 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.571 -5.328 1.950 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.838 -6.828 0.863 1.00 0.00 C ATOM 0 H LEU A 64 -11.502 -8.628 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.266 -7.314 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.223 -7.919 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.883 -8.349 0.326 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.471 -5.868 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.876 -4.494 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.593 -4.962 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.440 -5.791 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.178 -5.964 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.631 -7.358 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.666 -7.496 0.019 1.00 0.00 H new ATOM 983 N PHE A 65 -11.874 -5.813 -1.317 1.00 0.00 N ATOM 984 CA PHE A 65 -12.072 -4.555 -2.016 1.00 0.00 C ATOM 985 C PHE A 65 -13.544 -4.139 -1.990 1.00 0.00 C ATOM 986 O PHE A 65 -13.861 -2.958 -2.126 1.00 0.00 O ATOM 987 CB PHE A 65 -11.643 -4.778 -3.468 1.00 0.00 C ATOM 988 CG PHE A 65 -10.131 -4.919 -3.655 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.299 -4.804 -2.585 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.618 -5.159 -4.892 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.896 -4.935 -2.759 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.215 -5.290 -5.066 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.384 -5.175 -3.996 1.00 0.00 C ATOM 0 H PHE A 65 -11.685 -6.612 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.491 -3.767 -1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.131 -5.676 -3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.997 -3.944 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.706 -4.613 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.278 -5.250 -5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.236 -4.844 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.808 -5.481 -6.048 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.317 -5.274 -4.128 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.403 -5.132 -1.814 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.834 -4.883 -1.768 1.00 0.00 C ATOM 1005 C ASP A 66 -16.159 -4.023 -0.546 1.00 0.00 C ATOM 1006 O ASP A 66 -17.206 -3.379 -0.496 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.617 -6.192 -1.647 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.473 -6.549 -2.863 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -17.163 -6.017 -3.951 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.419 -7.345 -2.678 1.00 0.00 O ATOM 0 H ASP A 66 -14.136 -6.110 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.118 -4.377 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.912 -7.004 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.264 -6.131 -0.772 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.243 -4.040 0.411 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.419 -3.269 1.630 1.00 0.00 C ATOM 1017 C PHE A 67 -14.747 -1.899 1.515 1.00 0.00 C ATOM 1018 O PHE A 67 -15.156 -0.946 2.175 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.750 -4.058 2.758 1.00 0.00 C ATOM 1020 CG PHE A 67 -14.107 -3.181 3.834 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.847 -2.743 4.887 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.794 -2.840 3.737 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -14.249 -1.929 5.885 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -12.196 -2.026 4.735 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.936 -1.588 5.788 1.00 0.00 C ATOM 0 H PHE A 67 -14.376 -4.576 0.367 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.481 -3.108 1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.493 -4.704 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.987 -4.708 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.890 -3.014 4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.206 -3.188 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.837 -1.581 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.153 -1.755 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.481 -0.969 6.547 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.728 -1.845 0.670 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.996 -0.607 0.459 1.00 0.00 C ATOM 1037 C ILE A 68 -13.955 0.465 -0.061 1.00 0.00 C ATOM 1038 O ILE A 68 -14.046 1.551 0.509 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.789 -0.847 -0.450 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.674 -1.578 0.300 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.300 0.464 -1.069 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.478 -1.842 -0.617 1.00 0.00 C ATOM 0 H ILE A 68 -13.392 -2.638 0.124 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.588 -0.240 1.401 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.102 -1.493 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.356 -0.983 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.052 -2.522 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.441 0.265 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.100 0.908 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.009 1.154 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.700 -2.363 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.794 -2.457 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.087 -0.894 -0.987 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.646 0.123 -1.139 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.595 1.043 -1.742 1.00 0.00 C ATOM 1056 C ASP A 69 -16.625 1.468 -0.693 1.00 0.00 C ATOM 1057 O ASP A 69 -17.077 2.612 -0.690 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.345 0.380 -2.899 1.00 0.00 C ATOM 1059 CG ASP A 69 -15.509 0.139 -4.158 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -15.488 1.054 -5.009 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -14.910 -0.955 -4.240 1.00 0.00 O ATOM 0 H ASP A 69 -14.567 -0.778 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.039 1.902 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.741 -0.576 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.200 1.003 -3.162 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.965 0.524 0.172 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.933 0.787 1.223 1.00 0.00 C ATOM 1068 C ASP A 70 -17.530 2.057 1.976 1.00 0.00 C ATOM 1069 O ASP A 70 -18.387 2.841 2.381 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.979 -0.365 2.230 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.294 -0.499 2.999 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.821 0.557 3.411 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.743 -1.655 3.157 1.00 0.00 O ATOM 0 H ASP A 70 -16.588 -0.424 0.167 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.913 0.900 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.789 -1.298 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.168 -0.234 2.947 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.226 2.220 2.140 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.699 3.381 2.837 1.00 0.00 C ATOM 1080 C LEU A 71 -16.195 4.653 2.146 1.00 0.00 C ATOM 1081 O LEU A 71 -16.880 4.584 1.127 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.176 3.295 2.947 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.629 2.155 3.808 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -12.154 1.892 3.498 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.861 2.431 5.295 1.00 0.00 C ATOM 0 H LEU A 71 -15.518 1.568 1.802 1.00 0.00 H new ATOM 0 HA LEU A 71 -16.068 3.410 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.764 3.195 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.807 4.238 3.351 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.177 1.246 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.790 1.077 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.046 1.619 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.573 2.792 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.463 1.605 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.356 3.355 5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.930 2.530 5.484 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.829 5.786 2.728 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.227 7.072 2.182 1.00 0.00 C ATOM 1099 C ALA A 72 -15.247 7.478 1.079 1.00 0.00 C ATOM 1100 O ALA A 72 -15.659 7.946 0.019 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.300 8.105 3.307 1.00 0.00 C ATOM 0 H ALA A 72 -15.260 5.840 3.573 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.219 7.008 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.599 9.070 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.031 7.784 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.322 8.199 3.779 1.00 0.00 H new ATOM 1107 N ASP A 73 -13.969 7.285 1.367 1.00 0.00 N ATOM 1108 CA ASP A 73 -12.927 7.625 0.414 1.00 0.00 C ATOM 1109 C ASP A 73 -11.561 7.296 1.018 1.00 0.00 C ATOM 1110 O ASP A 73 -11.079 8.007 1.899 1.00 0.00 O ATOM 1111 CB ASP A 73 -12.950 9.119 0.083 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.945 9.561 -0.983 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -12.263 9.370 -2.176 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -10.882 10.080 -0.580 1.00 0.00 O ATOM 0 H ASP A 73 -13.631 6.897 2.248 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.102 7.051 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.952 9.386 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.758 9.681 0.997 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.974 6.217 0.521 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.672 5.784 1.001 1.00 0.00 C ATOM 1121 C LEU A 74 -8.589 6.284 0.044 1.00 0.00 C ATOM 1122 O LEU A 74 -8.743 6.198 -1.173 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.656 4.269 1.212 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.276 3.631 1.383 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.957 3.400 2.861 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.162 2.343 0.564 1.00 0.00 C ATOM 0 H LEU A 74 -11.376 5.629 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.461 6.220 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.253 4.039 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.149 3.798 0.362 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.529 4.325 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.971 2.946 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.968 4.354 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.704 2.736 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.172 1.910 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.919 1.632 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.314 2.568 -0.492 1.00 0.00 H new ATOM 1138 N SER A 75 -7.516 6.796 0.630 1.00 0.00 N ATOM 1139 CA SER A 75 -6.407 7.309 -0.155 1.00 0.00 C ATOM 1140 C SER A 75 -5.086 7.047 0.571 1.00 0.00 C ATOM 1141 O SER A 75 -5.076 6.488 1.666 1.00 0.00 O ATOM 1142 CB SER A 75 -6.574 8.804 -0.432 1.00 0.00 C ATOM 1143 OG SER A 75 -7.898 9.126 -0.847 1.00 0.00 O ATOM 0 H SER A 75 -7.392 6.866 1.640 1.00 0.00 H new ATOM 0 HA SER A 75 -6.396 6.789 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.329 9.369 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.868 9.111 -1.203 1.00 0.00 H new ATOM 0 HG SER A 75 -7.964 10.090 -1.012 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.003 7.464 -0.069 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.680 7.282 0.502 1.00 0.00 C ATOM 1151 C CYS A 76 -1.764 8.377 -0.049 1.00 0.00 C ATOM 1152 O CYS A 76 -2.078 9.003 -1.060 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.130 5.882 0.221 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.474 5.412 -1.514 1.00 0.00 S ATOM 0 H CYS A 76 -4.015 7.927 -0.978 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.735 7.368 1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.056 5.860 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.585 5.160 0.899 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.413 5.614 -2.237 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.649 8.574 0.640 1.00 0.00 N ATOM 1161 CA LEU A 77 0.315 9.582 0.232 1.00 0.00 C ATOM 1162 C LEU A 77 1.678 8.921 0.019 1.00 0.00 C ATOM 1163 O LEU A 77 2.182 8.231 0.904 1.00 0.00 O ATOM 1164 CB LEU A 77 0.341 10.736 1.237 1.00 0.00 C ATOM 1165 CG LEU A 77 -0.948 11.553 1.353 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.506 11.897 -0.029 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.978 10.830 2.223 1.00 0.00 C ATOM 0 H LEU A 77 -0.392 8.053 1.478 1.00 0.00 H new ATOM 0 HA LEU A 77 0.023 10.025 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.580 10.330 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.152 11.411 0.964 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.712 12.495 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.422 12.478 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.771 12.481 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.723 10.978 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.885 11.432 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.216 9.864 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.569 10.679 3.222 1.00 0.00 H new ATOM 1179 N VAL A 78 2.236 9.156 -1.159 1.00 0.00 N ATOM 1180 CA VAL A 78 3.531 8.592 -1.499 1.00 0.00 C ATOM 1181 C VAL A 78 4.593 9.692 -1.442 1.00 0.00 C ATOM 1182 O VAL A 78 4.438 10.742 -2.063 1.00 0.00 O ATOM 1183 CB VAL A 78 3.460 7.901 -2.863 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.732 7.097 -3.137 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.217 7.014 -2.963 1.00 0.00 C ATOM 0 H VAL A 78 1.815 9.729 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 78 3.815 7.827 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 78 3.382 8.674 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.656 6.616 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.593 7.765 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.855 6.336 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.190 6.534 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.251 6.251 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.323 7.624 -2.833 1.00 0.00 H new ATOM 1195 N TYR A 79 5.648 9.414 -0.690 1.00 0.00 N ATOM 1196 CA TYR A 79 6.735 10.367 -0.544 1.00 0.00 C ATOM 1197 C TYR A 79 7.818 10.130 -1.597 1.00 0.00 C ATOM 1198 O TYR A 79 8.611 9.197 -1.478 1.00 0.00 O ATOM 1199 CB TYR A 79 7.327 10.120 0.845 1.00 0.00 C ATOM 1200 CG TYR A 79 8.782 10.572 0.990 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.203 11.744 0.396 1.00 0.00 C ATOM 1202 CD2 TYR A 79 9.673 9.806 1.714 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.572 12.169 0.532 1.00 0.00 C ATOM 1204 CE2 TYR A 79 11.043 10.231 1.850 1.00 0.00 C ATOM 1205 CZ TYR A 79 11.424 11.392 1.253 1.00 0.00 C ATOM 1206 OH TYR A 79 12.717 11.793 1.381 1.00 0.00 O ATOM 0 H TYR A 79 5.773 8.542 -0.175 1.00 0.00 H new ATOM 0 HA TYR A 79 6.371 11.387 -0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.720 10.641 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.263 9.056 1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.506 12.343 -0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.343 8.888 2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.914 13.084 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.751 9.641 2.413 1.00 0.00 H new ATOM 0 HH TYR A 79 13.209 11.142 1.923 1.00 0.00 H new ATOM 1216 N ARG A 80 7.818 10.990 -2.605 1.00 0.00 N ATOM 1217 CA ARG A 80 8.791 10.885 -3.679 1.00 0.00 C ATOM 1218 C ARG A 80 9.944 11.864 -3.448 1.00 0.00 C ATOM 1219 O ARG A 80 9.882 13.015 -3.879 1.00 0.00 O ATOM 1220 CB ARG A 80 8.147 11.178 -5.036 1.00 0.00 C ATOM 1221 CG ARG A 80 7.187 12.365 -4.943 1.00 0.00 C ATOM 1222 CD ARG A 80 6.960 12.996 -6.318 1.00 0.00 C ATOM 1223 NE ARG A 80 5.886 12.274 -7.035 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.090 11.199 -7.809 1.00 0.00 C ATOM 1225 NH1 ARG A 80 7.329 10.715 -7.969 1.00 0.00 N ATOM 1226 NH2 ARG A 80 5.055 10.608 -8.421 1.00 0.00 N ATOM 0 H ARG A 80 7.159 11.763 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 80 9.172 9.864 -3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.922 11.390 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.609 10.297 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.234 12.035 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.591 13.111 -4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.691 14.046 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.882 12.964 -6.899 1.00 0.00 H new ATOM 0 HE ARG A 80 4.930 12.616 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.116 11.165 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.485 9.897 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.112 10.976 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.210 9.790 -9.010 1.00 0.00 H new ATOM 1240 N ALA A 81 10.968 11.372 -2.767 1.00 0.00 N ATOM 1241 CA ALA A 81 12.133 12.189 -2.473 1.00 0.00 C ATOM 1242 C ALA A 81 12.543 12.957 -3.731 1.00 0.00 C ATOM 1243 O ALA A 81 13.141 14.028 -3.642 1.00 0.00 O ATOM 1244 CB ALA A 81 13.259 11.300 -1.941 1.00 0.00 C ATOM 0 H ALA A 81 11.015 10.418 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 81 11.902 12.922 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.133 11.913 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.928 10.799 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.519 10.554 -2.692 1.00 0.00 H new ATOM 1250 N ASP A 82 12.203 12.381 -4.875 1.00 0.00 N ATOM 1251 CA ASP A 82 12.527 12.998 -6.150 1.00 0.00 C ATOM 1252 C ASP A 82 12.186 14.489 -6.091 1.00 0.00 C ATOM 1253 O ASP A 82 12.988 15.329 -6.495 1.00 0.00 O ATOM 1254 CB ASP A 82 11.718 12.372 -7.287 1.00 0.00 C ATOM 1255 CG ASP A 82 11.757 10.844 -7.343 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.866 10.297 -7.159 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.677 10.256 -7.570 1.00 0.00 O ATOM 0 H ASP A 82 11.706 11.493 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 82 13.590 12.845 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.680 12.691 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 82 12.087 12.765 -8.234 1.00 0.00 H new ATOM 1262 N THR A 83 10.995 14.771 -5.585 1.00 0.00 N ATOM 1263 CA THR A 83 10.537 16.145 -5.469 1.00 0.00 C ATOM 1264 C THR A 83 10.107 16.444 -4.031 1.00 0.00 C ATOM 1265 O THR A 83 9.544 17.502 -3.755 1.00 0.00 O ATOM 1266 CB THR A 83 9.423 16.361 -6.494 1.00 0.00 C ATOM 1267 OG1 THR A 83 8.508 15.298 -6.243 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.893 16.117 -7.930 1.00 0.00 C ATOM 0 H THR A 83 10.333 14.071 -5.250 1.00 0.00 H new ATOM 0 HA THR A 83 11.340 16.849 -5.688 1.00 0.00 H new ATOM 0 HB THR A 83 9.041 17.378 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.521 15.073 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.064 16.284 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.706 16.803 -8.168 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.245 15.090 -8.028 1.00 0.00 H new ATOM 1276 N GLN A 84 10.388 15.492 -3.153 1.00 0.00 N ATOM 1277 CA GLN A 84 10.036 15.640 -1.751 1.00 0.00 C ATOM 1278 C GLN A 84 8.618 16.197 -1.615 1.00 0.00 C ATOM 1279 O GLN A 84 8.436 17.360 -1.259 1.00 0.00 O ATOM 1280 CB GLN A 84 11.047 16.529 -1.024 1.00 0.00 C ATOM 1281 CG GLN A 84 12.352 15.775 -0.761 1.00 0.00 C ATOM 1282 CD GLN A 84 13.542 16.503 -1.388 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.699 17.707 -1.270 1.00 0.00 O ATOM 1284 NE2 GLN A 84 14.369 15.708 -2.061 1.00 0.00 N ATOM 0 H GLN A 84 10.855 14.616 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 84 10.064 14.656 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.251 17.418 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.623 16.870 -0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.508 15.674 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.282 14.767 -1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.179 14.708 -2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.193 16.099 -2.517 1.00 0.00 H new ATOM 1293 N THR A 85 7.650 15.341 -1.906 1.00 0.00 N ATOM 1294 CA THR A 85 6.253 15.733 -1.821 1.00 0.00 C ATOM 1295 C THR A 85 5.370 14.509 -1.569 1.00 0.00 C ATOM 1296 O THR A 85 5.873 13.397 -1.417 1.00 0.00 O ATOM 1297 CB THR A 85 5.895 16.487 -3.103 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.631 17.080 -2.815 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.607 15.547 -4.275 1.00 0.00 C ATOM 0 H THR A 85 7.805 14.377 -2.201 1.00 0.00 H new ATOM 0 HA THR A 85 6.080 16.399 -0.976 1.00 0.00 H new ATOM 0 HB THR A 85 6.712 17.158 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.324 17.591 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.358 16.134 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.488 14.939 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.769 14.898 -4.023 1.00 0.00 H new ATOM 1307 N TYR A 86 4.069 14.756 -1.533 1.00 0.00 N ATOM 1308 CA TYR A 86 3.111 13.688 -1.302 1.00 0.00 C ATOM 1309 C TYR A 86 2.094 13.608 -2.442 1.00 0.00 C ATOM 1310 O TYR A 86 1.452 14.603 -2.777 1.00 0.00 O ATOM 1311 CB TYR A 86 2.380 14.050 -0.007 1.00 0.00 C ATOM 1312 CG TYR A 86 1.412 15.226 -0.146 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.898 16.516 -0.210 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.052 14.996 -0.208 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.986 17.623 -0.341 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.859 16.103 -0.339 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.348 17.362 -0.399 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.209 18.407 -0.523 1.00 0.00 O ATOM 0 H TYR A 86 3.656 15.680 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 86 3.617 12.725 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.828 13.178 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.117 14.288 0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.962 16.695 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.328 13.986 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.353 18.638 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.925 15.937 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.129 18.071 -0.553 1.00 0.00 H new ATOM 1328 N GLN A 87 1.977 12.415 -3.006 1.00 0.00 N ATOM 1329 CA GLN A 87 1.049 12.192 -4.101 1.00 0.00 C ATOM 1330 C GLN A 87 -0.221 11.508 -3.590 1.00 0.00 C ATOM 1331 O GLN A 87 -0.184 10.347 -3.185 1.00 0.00 O ATOM 1332 CB GLN A 87 1.702 11.373 -5.215 1.00 0.00 C ATOM 1333 CG GLN A 87 2.382 12.284 -6.239 1.00 0.00 C ATOM 1334 CD GLN A 87 1.353 12.924 -7.173 1.00 0.00 C ATOM 1335 OE1 GLN A 87 1.272 14.133 -7.314 1.00 0.00 O ATOM 1336 NE2 GLN A 87 0.572 12.048 -7.799 1.00 0.00 N ATOM 0 H GLN A 87 2.510 11.592 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 87 0.774 13.160 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.436 10.690 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.948 10.761 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.943 13.063 -5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.100 11.708 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.693 11.049 -7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.148 12.376 -8.443 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.342 12.276 -3.625 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.620 11.756 -3.171 1.00 0.00 C ATOM 1347 C PRO A 88 -3.212 10.785 -4.194 1.00 0.00 C ATOM 1348 O PRO A 88 -3.669 11.200 -5.257 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.487 12.985 -2.947 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.824 14.110 -3.724 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.422 13.655 -4.098 1.00 0.00 C ATOM 0 HA PRO A 88 -2.535 11.172 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.505 12.814 -3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.553 13.229 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.400 14.347 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.783 15.017 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.260 13.715 -5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.664 14.280 -3.627 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.185 9.509 -3.835 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.713 8.475 -4.709 1.00 0.00 C ATOM 1361 C TYR A 89 -5.042 7.935 -4.177 1.00 0.00 C ATOM 1362 O TYR A 89 -5.189 7.710 -2.977 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.678 7.348 -4.702 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.381 7.689 -5.439 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.314 7.560 -6.811 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.279 8.125 -4.732 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.094 7.881 -7.505 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.941 8.446 -5.426 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.973 8.308 -6.778 1.00 0.00 C ATOM 1370 OH TYR A 89 2.126 8.611 -7.434 1.00 0.00 O ATOM 0 H TYR A 89 -2.806 9.168 -2.951 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.892 8.871 -5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.441 7.093 -3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.119 6.461 -5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.176 7.218 -7.364 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.332 8.225 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.028 7.785 -8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.811 8.789 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 89 2.803 8.903 -6.788 1.00 0.00 H new ATOM 1380 N ASN A 90 -5.975 7.741 -5.097 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.287 7.231 -4.736 1.00 0.00 C ATOM 1382 C ASN A 90 -7.144 5.811 -4.186 1.00 0.00 C ATOM 1383 O ASN A 90 -6.037 5.278 -4.115 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.211 7.175 -5.955 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.677 7.305 -5.537 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -10.060 8.186 -4.786 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.473 6.380 -6.066 1.00 0.00 N ATOM 0 H ASN A 90 -5.849 7.928 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.715 7.900 -3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.954 7.976 -6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.062 6.235 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.470 6.381 -5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.087 5.670 -6.688 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.278 5.238 -3.811 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.293 3.890 -3.270 1.00 0.00 C ATOM 1396 C LYS A 91 -8.018 2.890 -4.395 1.00 0.00 C ATOM 1397 O LYS A 91 -7.318 1.899 -4.192 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.600 3.628 -2.520 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.807 4.069 -3.351 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.050 3.253 -2.989 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.529 3.583 -1.574 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.412 4.771 -1.590 1.00 0.00 N ATOM 0 H LYS A 91 -9.194 5.683 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.500 3.767 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.683 2.567 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.592 4.164 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.001 5.128 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.586 3.950 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.846 3.460 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.825 2.189 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.064 2.730 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.671 3.769 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.715 4.992 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.895 5.583 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.248 4.575 -2.177 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.584 3.185 -5.556 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.409 2.324 -6.714 1.00 0.00 C ATOM 1418 C ASP A 92 -6.916 2.079 -6.940 1.00 0.00 C ATOM 1419 O ASP A 92 -6.499 0.948 -7.183 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.978 2.975 -7.976 1.00 0.00 C ATOM 1421 CG ASP A 92 -10.174 2.249 -8.595 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -9.922 1.349 -9.426 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -11.311 2.610 -8.225 1.00 0.00 O ATOM 0 H ASP A 92 -9.164 4.008 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.936 1.389 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.276 3.996 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.186 3.040 -8.722 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.152 3.158 -6.853 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.714 3.074 -7.046 1.00 0.00 C ATOM 1430 C TRP A 93 -4.164 2.041 -6.060 1.00 0.00 C ATOM 1431 O TRP A 93 -3.281 1.258 -6.405 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.060 4.449 -6.897 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.546 4.446 -7.120 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.884 4.407 -8.284 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.527 4.485 -6.099 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.518 4.418 -8.090 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.294 4.467 -6.719 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.642 4.534 -4.699 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.917 4.495 -6.017 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.423 4.561 -4.012 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.827 4.544 -4.621 1.00 0.00 C ATOM 0 H TRP A 93 -6.501 4.095 -6.652 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.479 2.748 -8.059 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.520 5.137 -7.606 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.269 4.833 -5.899 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.360 4.371 -9.253 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.196 4.395 -8.818 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.596 4.550 -4.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.870 4.480 -6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.455 4.598 -2.933 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.724 4.568 -4.020 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.710 2.072 -4.853 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.285 1.148 -3.816 1.00 0.00 C ATOM 1454 C ILE A 94 -4.783 -0.258 -4.156 1.00 0.00 C ATOM 1455 O ILE A 94 -3.997 -1.202 -4.212 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.736 1.643 -2.440 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.177 3.038 -2.149 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.366 0.638 -1.347 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.197 3.890 -1.393 1.00 0.00 C ATOM 0 H ILE A 94 -5.443 2.723 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.197 1.100 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.823 1.726 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.263 2.952 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.910 3.529 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.698 1.014 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.851 -0.316 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.285 0.499 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.775 4.876 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.101 3.994 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.444 3.408 -0.447 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.086 -0.353 -4.375 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.698 -1.628 -4.709 1.00 0.00 C ATOM 1473 C LYS A 95 -5.803 -2.375 -5.699 1.00 0.00 C ATOM 1474 O LYS A 95 -5.781 -3.605 -5.716 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.129 -1.421 -5.209 1.00 0.00 C ATOM 1476 CG LYS A 95 -9.003 -0.786 -4.125 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.488 -1.003 -4.421 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.821 -0.622 -5.865 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.228 -0.956 -6.178 1.00 0.00 N ATOM 0 H LYS A 95 -6.735 0.432 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.783 -2.254 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.120 -0.784 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.555 -2.378 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.755 -1.216 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.793 0.282 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.748 -2.047 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.090 -0.406 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.653 0.445 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.155 -1.148 -6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.582 -0.313 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.284 -1.937 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.808 -0.853 -5.321 1.00 0.00 H new ATOM 1493 N GLU A 96 -5.085 -1.601 -6.499 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.190 -2.174 -7.490 1.00 0.00 C ATOM 1495 C GLU A 96 -2.864 -2.573 -6.839 1.00 0.00 C ATOM 1496 O GLU A 96 -2.341 -3.655 -7.101 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.961 -1.202 -8.650 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.270 -0.911 -9.387 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.626 -2.050 -10.344 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -5.173 -1.978 -11.506 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -6.343 -2.968 -9.891 1.00 0.00 O ATOM 0 H GLU A 96 -5.105 -0.581 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.657 -3.071 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.538 -0.272 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.234 -1.623 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.075 -0.773 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.178 0.021 -9.944 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.358 -1.677 -6.004 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.103 -1.922 -5.314 1.00 0.00 C ATOM 1510 C LYS A 97 -1.278 -3.096 -4.348 1.00 0.00 C ATOM 1511 O LYS A 97 -0.562 -4.092 -4.441 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.602 -0.642 -4.642 1.00 0.00 C ATOM 1513 CG LYS A 97 0.720 -0.181 -5.258 1.00 0.00 C ATOM 1514 CD LYS A 97 0.556 0.114 -6.750 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.072 1.491 -6.971 1.00 0.00 C ATOM 1516 NZ LYS A 97 -0.468 1.659 -8.387 1.00 0.00 N ATOM 0 H LYS A 97 -2.795 -0.780 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.327 -2.206 -6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.350 0.144 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.469 -0.816 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.073 0.713 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.479 -0.951 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.528 0.070 -7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.068 -0.652 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.944 1.607 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.637 2.270 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.701 2.657 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.318 1.371 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.300 1.068 -8.587 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.233 -2.940 -3.444 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.511 -3.975 -2.462 1.00 0.00 C ATOM 1532 C ILE A 98 -2.523 -5.339 -3.155 1.00 0.00 C ATOM 1533 O ILE A 98 -1.936 -6.298 -2.656 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.801 -3.660 -1.702 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.310 -4.892 -0.952 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.862 -3.080 -2.640 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.362 -4.505 0.089 1.00 0.00 C ATOM 0 H ILE A 98 -2.825 -2.112 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.724 -4.007 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.580 -2.897 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.738 -5.602 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.476 -5.394 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.769 -2.865 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.487 -2.160 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.087 -3.801 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.707 -5.400 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.924 -3.814 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.206 -4.025 -0.407 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.198 -5.383 -4.295 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.294 -6.613 -5.061 1.00 0.00 C ATOM 1551 C TYR A 99 -1.907 -7.115 -5.469 1.00 0.00 C ATOM 1552 O TYR A 99 -1.573 -8.277 -5.246 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.088 -6.265 -6.321 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.164 -7.401 -7.343 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.031 -7.792 -8.025 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.367 -8.034 -7.581 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.103 -8.862 -8.987 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.439 -9.104 -8.543 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.303 -9.465 -9.198 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.371 -10.475 -10.106 1.00 0.00 O ATOM 0 H TYR A 99 -3.684 -4.586 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.769 -7.396 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.100 -5.981 -6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.635 -5.394 -6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.090 -7.296 -7.838 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.254 -7.727 -7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.223 -9.178 -9.528 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.374 -9.608 -8.740 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.290 -10.812 -10.152 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.137 -6.213 -6.059 1.00 0.00 N ATOM 1571 CA VAL A 100 0.206 -6.549 -6.501 1.00 0.00 C ATOM 1572 C VAL A 100 1.078 -6.853 -5.281 1.00 0.00 C ATOM 1573 O VAL A 100 2.006 -7.657 -5.361 1.00 0.00 O ATOM 1574 CB VAL A 100 0.768 -5.423 -7.372 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.082 -5.845 -8.032 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.254 -4.979 -8.420 1.00 0.00 C ATOM 0 H VAL A 100 -1.417 -5.249 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 100 0.191 -7.445 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 100 0.976 -4.571 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.460 -5.027 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.814 -6.090 -7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.910 -6.719 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.170 -4.178 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.508 -5.823 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.154 -4.619 -7.921 1.00 0.00 H new ATOM 1586 N LEU A 101 0.749 -6.194 -4.179 1.00 0.00 N ATOM 1587 CA LEU A 101 1.491 -6.384 -2.944 1.00 0.00 C ATOM 1588 C LEU A 101 1.456 -7.863 -2.555 1.00 0.00 C ATOM 1589 O LEU A 101 2.433 -8.394 -2.031 1.00 0.00 O ATOM 1590 CB LEU A 101 0.964 -5.449 -1.854 1.00 0.00 C ATOM 1591 CG LEU A 101 1.213 -5.893 -0.411 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.445 -5.198 0.171 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.030 -5.674 0.453 1.00 0.00 C ATOM 0 H LEU A 101 -0.021 -5.528 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 101 2.538 -6.116 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.417 -4.468 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.110 -5.327 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 101 1.418 -6.964 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.600 -5.531 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.321 -5.448 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.294 -4.119 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.175 -5.998 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.291 -4.616 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.861 -6.252 0.048 1.00 0.00 H new ATOM 1605 N LEU A 102 0.319 -8.487 -2.828 1.00 0.00 N ATOM 1606 CA LEU A 102 0.144 -9.894 -2.513 1.00 0.00 C ATOM 1607 C LEU A 102 0.848 -10.741 -3.575 1.00 0.00 C ATOM 1608 O LEU A 102 1.408 -11.792 -3.266 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.340 -10.226 -2.348 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.049 -9.559 -1.167 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.039 -8.911 -0.217 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.102 -8.561 -1.651 1.00 0.00 C ATOM 0 H LEU A 102 -0.490 -8.044 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 102 0.608 -10.130 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.859 -9.944 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.441 -11.306 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.573 -10.331 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.568 -8.444 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.361 -9.673 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.468 -8.154 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.590 -8.102 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.622 -7.788 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.845 -9.081 -2.256 1.00 0.00 H new ATOM 1624 N ARG A 103 0.797 -10.253 -4.806 1.00 0.00 N ATOM 1625 CA ARG A 103 1.423 -10.952 -5.915 1.00 0.00 C ATOM 1626 C ARG A 103 2.911 -11.172 -5.632 1.00 0.00 C ATOM 1627 O ARG A 103 3.416 -12.284 -5.781 1.00 0.00 O ATOM 1628 CB ARG A 103 1.271 -10.165 -7.218 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.204 -10.011 -7.597 1.00 0.00 C ATOM 1630 CD ARG A 103 -0.950 -11.338 -7.444 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.158 -12.436 -8.044 1.00 0.00 N ATOM 1632 CZ ARG A 103 -0.460 -13.735 -7.918 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.538 -14.108 -7.215 1.00 0.00 N ATOM 1634 NH2 ARG A 103 0.316 -14.662 -8.496 1.00 0.00 N ATOM 0 H ARG A 103 0.332 -9.382 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 103 0.924 -11.915 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.726 -9.181 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.805 -10.675 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.668 -9.254 -6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.284 -9.661 -8.626 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.131 -11.543 -6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.925 -11.275 -7.928 1.00 0.00 H new ATOM 0 HE ARG A 103 0.669 -12.188 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.129 -13.403 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.767 -15.097 -7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.136 -14.378 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.086 -15.651 -8.400 1.00 0.00 H new ATOM 1648 N ARG A 104 3.570 -10.096 -5.229 1.00 0.00 N ATOM 1649 CA ARG A 104 4.989 -10.158 -4.923 1.00 0.00 C ATOM 1650 C ARG A 104 5.214 -10.877 -3.592 1.00 0.00 C ATOM 1651 O ARG A 104 6.071 -11.754 -3.493 1.00 0.00 O ATOM 1652 CB ARG A 104 5.598 -8.757 -4.848 1.00 0.00 C ATOM 1653 CG ARG A 104 5.021 -7.970 -3.669 1.00 0.00 C ATOM 1654 CD ARG A 104 5.391 -6.489 -3.765 1.00 0.00 C ATOM 1655 NE ARG A 104 6.777 -6.281 -3.290 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.529 -5.219 -3.609 1.00 0.00 C ATOM 1657 NH1 ARG A 104 7.034 -4.262 -4.404 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.777 -5.114 -3.132 1.00 0.00 N ATOM 0 H ARG A 104 3.147 -9.176 -5.107 1.00 0.00 H new ATOM 0 HA ARG A 104 5.477 -10.711 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.680 -8.832 -4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.403 -8.222 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.936 -8.077 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.397 -8.383 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.296 -6.148 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.700 -5.894 -3.168 1.00 0.00 H new ATOM 0 HE ARG A 104 7.185 -6.991 -2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.084 -4.341 -4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.607 -3.454 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.154 -5.843 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.349 -4.305 -3.375 1.00 0.00 H new ATOM 1672 N GLN A 105 4.431 -10.478 -2.600 1.00 0.00 N ATOM 1673 CA GLN A 105 4.534 -11.073 -1.279 1.00 0.00 C ATOM 1674 C GLN A 105 4.602 -12.597 -1.387 1.00 0.00 C ATOM 1675 O GLN A 105 5.261 -13.252 -0.580 1.00 0.00 O ATOM 1676 CB GLN A 105 3.368 -10.637 -0.389 1.00 0.00 C ATOM 1677 CG GLN A 105 3.719 -9.370 0.393 1.00 0.00 C ATOM 1678 CD GLN A 105 3.549 -9.589 1.898 1.00 0.00 C ATOM 1679 OE1 GLN A 105 4.183 -10.437 2.504 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.659 -8.779 2.465 1.00 0.00 N ATOM 0 H GLN A 105 3.722 -9.749 -2.685 1.00 0.00 H new ATOM 0 HA GLN A 105 5.455 -10.720 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.485 -10.457 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.116 -11.439 0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.747 -9.079 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.081 -8.549 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.163 -8.091 1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.473 -8.846 3.466 1.00 0.00 H new