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 87 GLN : amide:sc= -11.7! C(o=-11!,f=-15!) USER MOD Set 1.2: A 89 TYR OH : rot 19:sc= 0.531 USER MOD Set 2.1: A 40 CYS SG : rot -7:sc= 0.81 USER MOD Set 2.2: A 59 TYR OH : rot -65:sc= -0.398 USER MOD Single : A 11 THR OG1 : rot 42:sc= 0.0414 USER MOD Single : A 16 GLN :FLIP amide:sc= -2.2 F(o=-3.6!,f=-2.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0211 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 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -7.58! C(o=-7.6!,f=-14!) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.354 USER MOD Single : A 36 MET CE :methyl -138:sc= -1.66 (180deg=-4.55!) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -1.63! (180deg=-3.06!) USER MOD Single : A 42 MET CE :methyl 153:sc= -0.796 (180deg=-3.27!) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.24 USER MOD Single : A 46 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.045) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0178) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.415 (180deg=-2.18!) USER MOD Single : A 51 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.31) USER MOD Single : A 53 ASN :FLIP amide:sc=-0.00499 F(o=-0.57,f=-0.005) USER MOD Single : A 54 SER OG : rot 39:sc= -0.971 USER MOD Single : A 56 SER OG : rot -19:sc= 0.793 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= -0.0769 K(o=-0.077,f=-0.64) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 100:sc= -8.06! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 84 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.68) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.352 K(o=-0.35,f=-3.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= 1.14 (180deg=0.626) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0853 X(o=-0.085,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.205 7.329 3.638 1.00 0.00 N ATOM 121 CA THR A 11 3.872 7.131 3.094 1.00 0.00 C ATOM 122 C THR A 11 2.815 7.357 4.176 1.00 0.00 C ATOM 123 O THR A 11 2.990 6.934 5.318 1.00 0.00 O ATOM 124 CB THR A 11 3.818 5.733 2.474 1.00 0.00 C ATOM 125 OG1 THR A 11 4.564 5.860 1.267 1.00 0.00 O ATOM 126 CG2 THR A 11 2.411 5.355 2.005 1.00 0.00 C ATOM 0 HA THR A 11 3.652 7.858 2.312 1.00 0.00 H new ATOM 0 HB THR A 11 4.168 5.000 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.370 6.392 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.428 4.354 1.573 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.728 5.372 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.074 6.069 1.253 1.00 0.00 H new ATOM 134 N ILE A 12 1.741 8.025 3.780 1.00 0.00 N ATOM 135 CA ILE A 12 0.656 8.312 4.702 1.00 0.00 C ATOM 136 C ILE A 12 -0.553 7.444 4.347 1.00 0.00 C ATOM 137 O ILE A 12 -1.043 7.488 3.219 1.00 0.00 O ATOM 138 CB ILE A 12 0.352 9.812 4.721 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.639 10.630 4.846 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.654 10.153 5.822 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.419 12.072 4.383 1.00 0.00 C ATOM 0 H ILE A 12 1.600 8.376 2.833 1.00 0.00 H new ATOM 0 HA ILE A 12 0.944 8.055 5.721 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.109 10.080 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.978 10.625 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.427 10.169 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.853 11.225 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.583 9.610 5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.244 9.867 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.349 12.632 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.103 12.075 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.648 12.538 4.997 1.00 0.00 H new ATOM 153 N LEU A 13 -0.999 6.676 5.330 1.00 0.00 N ATOM 154 CA LEU A 13 -2.141 5.799 5.135 1.00 0.00 C ATOM 155 C LEU A 13 -3.256 6.198 6.104 1.00 0.00 C ATOM 156 O LEU A 13 -3.049 6.225 7.316 1.00 0.00 O ATOM 157 CB LEU A 13 -1.718 4.334 5.253 1.00 0.00 C ATOM 158 CG LEU A 13 -2.708 3.304 4.705 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.555 2.704 5.829 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.572 3.909 3.597 1.00 0.00 C ATOM 0 H LEU A 13 -0.590 6.643 6.264 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.540 5.911 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.768 4.208 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.538 4.112 6.305 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.139 2.488 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.250 1.975 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.904 2.212 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.115 3.497 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.267 3.156 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.133 4.755 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.933 4.248 2.781 1.00 0.00 H new ATOM 172 N LEU A 14 -4.414 6.497 5.534 1.00 0.00 N ATOM 173 CA LEU A 14 -5.561 6.893 6.333 1.00 0.00 C ATOM 174 C LEU A 14 -6.740 5.971 6.016 1.00 0.00 C ATOM 175 O LEU A 14 -6.646 5.117 5.135 1.00 0.00 O ATOM 176 CB LEU A 14 -5.869 8.377 6.129 1.00 0.00 C ATOM 177 CG LEU A 14 -5.047 9.092 5.055 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.556 9.068 5.400 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.324 8.504 3.670 1.00 0.00 C ATOM 0 H LEU A 14 -4.583 6.473 4.528 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.343 6.780 7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.925 8.477 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.718 8.893 7.077 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.355 10.137 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.994 9.583 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.395 9.569 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.215 8.035 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.727 9.030 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.061 7.446 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.382 8.616 3.432 1.00 0.00 H new ATOM 191 N VAL A 15 -7.824 6.174 6.750 1.00 0.00 N ATOM 192 CA VAL A 15 -9.020 5.372 6.558 1.00 0.00 C ATOM 193 C VAL A 15 -10.254 6.224 6.861 1.00 0.00 C ATOM 194 O VAL A 15 -10.337 6.849 7.918 1.00 0.00 O ATOM 195 CB VAL A 15 -8.943 4.105 7.413 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.313 3.753 7.995 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.371 2.936 6.610 1.00 0.00 C ATOM 0 H VAL A 15 -7.899 6.883 7.479 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.098 5.044 5.521 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.267 4.302 8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.231 2.849 8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.665 4.575 8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.021 3.584 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.327 2.048 7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.010 2.738 5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.367 3.187 6.266 1.00 0.00 H new ATOM 207 N GLN A 16 -11.182 6.221 5.916 1.00 0.00 N ATOM 208 CA GLN A 16 -12.408 6.986 6.068 1.00 0.00 C ATOM 209 C GLN A 16 -13.626 6.087 5.845 1.00 0.00 C ATOM 210 O GLN A 16 -14.019 5.841 4.705 1.00 0.00 O ATOM 211 CB GLN A 16 -12.429 8.184 5.117 1.00 0.00 C ATOM 212 CG GLN A 16 -13.602 9.114 5.433 1.00 0.00 C ATOM 213 CD GLN A 16 -13.591 9.530 6.905 1.00 0.00 C ATOM 214 OE1 GLN A 16 -14.471 8.876 7.659 1.00 0.00 O flip ATOM 215 NE2 GLN A 16 -12.835 10.388 7.329 1.00 0.00 N flip ATOM 0 H GLN A 16 -11.110 5.701 5.042 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.448 7.372 7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.492 8.734 5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.505 7.834 4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.549 10.000 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.541 8.612 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.183 10.852 6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.854 10.642 8.317 1.00 0.00 H new ATOM 224 N PRO A 17 -14.204 5.608 6.979 1.00 0.00 N ATOM 225 CA PRO A 17 -15.369 4.742 6.918 1.00 0.00 C ATOM 226 C PRO A 17 -16.628 5.540 6.572 1.00 0.00 C ATOM 227 O PRO A 17 -17.371 5.170 5.664 1.00 0.00 O ATOM 228 CB PRO A 17 -15.441 4.083 8.286 1.00 0.00 C ATOM 229 CG PRO A 17 -14.597 4.946 9.210 1.00 0.00 C ATOM 230 CD PRO A 17 -13.765 5.879 8.345 1.00 0.00 C ATOM 0 HA PRO A 17 -15.294 3.991 6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.471 4.026 8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.060 3.063 8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.233 5.518 9.885 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.952 4.324 9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.931 6.922 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.699 5.684 8.464 1.00 0.00 H new ATOM 238 N THR A 18 -16.828 6.619 7.313 1.00 0.00 N ATOM 239 CA THR A 18 -17.984 7.472 7.096 1.00 0.00 C ATOM 240 C THR A 18 -17.540 8.900 6.773 1.00 0.00 C ATOM 241 O THR A 18 -16.556 9.103 6.065 1.00 0.00 O ATOM 242 CB THR A 18 -18.879 7.379 8.334 1.00 0.00 C ATOM 243 OG1 THR A 18 -18.080 7.920 9.382 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.132 5.933 8.766 1.00 0.00 C ATOM 0 H THR A 18 -16.209 6.923 8.065 1.00 0.00 H new ATOM 0 HA THR A 18 -18.563 7.142 6.233 1.00 0.00 H new ATOM 0 HB THR A 18 -19.831 7.869 8.131 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.585 7.900 10.222 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.772 5.924 9.648 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.622 5.392 7.956 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.183 5.452 9.002 1.00 0.00 H new ATOM 252 N LYS A 19 -18.289 9.853 7.309 1.00 0.00 N ATOM 253 CA LYS A 19 -17.984 11.257 7.087 1.00 0.00 C ATOM 254 C LYS A 19 -17.453 11.871 8.383 1.00 0.00 C ATOM 255 O LYS A 19 -16.547 12.702 8.355 1.00 0.00 O ATOM 256 CB LYS A 19 -19.203 11.985 6.516 1.00 0.00 C ATOM 257 CG LYS A 19 -19.264 11.841 4.993 1.00 0.00 C ATOM 258 CD LYS A 19 -20.306 10.798 4.583 1.00 0.00 C ATOM 259 CE LYS A 19 -19.995 10.230 3.197 1.00 0.00 C ATOM 260 NZ LYS A 19 -20.288 8.780 3.153 1.00 0.00 N ATOM 0 H LYS A 19 -19.105 9.681 7.896 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.198 11.363 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.113 11.581 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.159 13.041 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.510 12.803 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.285 11.552 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.326 9.991 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.298 11.250 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.587 10.750 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.947 10.403 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.071 8.411 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.705 8.286 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.294 8.623 3.364 1.00 0.00 H new ATOM 274 N ARG A 20 -18.039 11.437 9.489 1.00 0.00 N ATOM 275 CA ARG A 20 -17.636 11.934 10.794 1.00 0.00 C ATOM 276 C ARG A 20 -16.146 11.673 11.024 1.00 0.00 C ATOM 277 O ARG A 20 -15.595 10.703 10.506 1.00 0.00 O ATOM 278 CB ARG A 20 -18.442 11.266 11.911 1.00 0.00 C ATOM 279 CG ARG A 20 -19.919 11.659 11.831 1.00 0.00 C ATOM 280 CD ARG A 20 -20.139 13.076 12.365 1.00 0.00 C ATOM 281 NE ARG A 20 -21.363 13.656 11.770 1.00 0.00 N ATOM 282 CZ ARG A 20 -21.635 14.968 11.739 1.00 0.00 C ATOM 283 NH1 ARG A 20 -20.769 15.844 12.268 1.00 0.00 N ATOM 284 NH2 ARG A 20 -22.771 15.404 11.179 1.00 0.00 N ATOM 0 H ARG A 20 -18.790 10.747 9.509 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.828 13.007 10.814 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.346 10.183 11.836 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.037 11.556 12.880 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.259 11.599 10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.519 10.953 12.405 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.228 13.055 13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.278 13.701 12.128 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.043 13.017 11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.904 15.512 12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.975 16.843 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.429 14.737 10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.978 16.403 11.156 1.00 0.00 H new ATOM 298 N PRO A 21 -15.521 12.579 11.822 1.00 0.00 N ATOM 299 CA PRO A 21 -14.105 12.457 12.127 1.00 0.00 C ATOM 300 C PRO A 21 -13.858 11.340 13.143 1.00 0.00 C ATOM 301 O PRO A 21 -12.721 10.913 13.336 1.00 0.00 O ATOM 302 CB PRO A 21 -13.693 13.828 12.639 1.00 0.00 C ATOM 303 CG PRO A 21 -14.981 14.527 13.040 1.00 0.00 C ATOM 304 CD PRO A 21 -16.142 13.740 12.453 1.00 0.00 C ATOM 0 HA PRO A 21 -13.510 12.176 11.258 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.015 13.740 13.488 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.167 14.391 11.868 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.065 14.579 14.126 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.990 15.552 12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.848 13.440 13.227 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.697 14.335 11.728 1.00 0.00 H new ATOM 312 N GLU A 22 -14.941 10.899 13.765 1.00 0.00 N ATOM 313 CA GLU A 22 -14.856 9.840 14.757 1.00 0.00 C ATOM 314 C GLU A 22 -14.590 8.496 14.076 1.00 0.00 C ATOM 315 O GLU A 22 -15.524 7.758 13.765 1.00 0.00 O ATOM 316 CB GLU A 22 -16.126 9.782 15.607 1.00 0.00 C ATOM 317 CG GLU A 22 -17.352 9.480 14.743 1.00 0.00 C ATOM 318 CD GLU A 22 -18.519 10.400 15.107 1.00 0.00 C ATOM 319 OE1 GLU A 22 -18.286 11.627 15.141 1.00 0.00 O ATOM 320 OE2 GLU A 22 -19.619 9.854 15.342 1.00 0.00 O ATOM 0 H GLU A 22 -15.883 11.256 13.602 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.022 10.059 15.424 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.020 9.015 16.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.266 10.732 16.123 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.099 9.606 13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.649 8.440 14.877 1.00 0.00 H new ATOM 327 N GLY A 23 -13.312 8.219 13.864 1.00 0.00 N ATOM 328 CA GLY A 23 -12.911 6.977 13.226 1.00 0.00 C ATOM 329 C GLY A 23 -11.767 7.212 12.237 1.00 0.00 C ATOM 330 O GLY A 23 -11.059 6.277 11.867 1.00 0.00 O ATOM 0 H GLY A 23 -12.540 8.834 14.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.599 6.259 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.763 6.540 12.705 1.00 0.00 H new ATOM 334 N ARG A 24 -11.622 8.467 11.837 1.00 0.00 N ATOM 335 CA ARG A 24 -10.576 8.837 10.899 1.00 0.00 C ATOM 336 C ARG A 24 -9.214 8.837 11.595 1.00 0.00 C ATOM 337 O ARG A 24 -9.032 9.505 12.611 1.00 0.00 O ATOM 338 CB ARG A 24 -10.836 10.222 10.303 1.00 0.00 C ATOM 339 CG ARG A 24 -10.732 11.309 11.375 1.00 0.00 C ATOM 340 CD ARG A 24 -9.446 12.121 11.210 1.00 0.00 C ATOM 341 NE ARG A 24 -9.720 13.556 11.443 1.00 0.00 N ATOM 342 CZ ARG A 24 -8.859 14.542 11.156 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.664 14.254 10.623 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.193 15.816 11.402 1.00 0.00 N ATOM 0 H ARG A 24 -12.211 9.240 12.145 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.577 8.101 10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.117 10.420 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.827 10.247 9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.595 11.971 11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.753 10.852 12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.691 11.768 11.912 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.042 11.978 10.208 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.621 13.811 11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.410 13.284 10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.009 15.005 10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.103 16.035 11.808 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.538 16.566 11.184 1.00 0.00 H new ATOM 358 N THR A 25 -8.291 8.079 11.020 1.00 0.00 N ATOM 359 CA THR A 25 -6.951 7.983 11.573 1.00 0.00 C ATOM 360 C THR A 25 -5.927 7.777 10.455 1.00 0.00 C ATOM 361 O THR A 25 -6.189 7.056 9.493 1.00 0.00 O ATOM 362 CB THR A 25 -6.948 6.862 12.614 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.601 6.822 13.078 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.168 5.482 11.990 1.00 0.00 C ATOM 0 H THR A 25 -8.445 7.526 10.177 1.00 0.00 H new ATOM 0 HA THR A 25 -6.661 8.908 12.071 1.00 0.00 H new ATOM 0 HB THR A 25 -7.724 7.053 13.355 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.510 6.122 13.758 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.157 4.723 12.772 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.131 5.463 11.479 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.373 5.276 11.273 1.00 0.00 H new ATOM 372 N TYR A 26 -4.782 8.423 10.619 1.00 0.00 N ATOM 373 CA TYR A 26 -3.717 8.319 9.636 1.00 0.00 C ATOM 374 C TYR A 26 -2.553 7.485 10.174 1.00 0.00 C ATOM 375 O TYR A 26 -2.460 7.246 11.377 1.00 0.00 O ATOM 376 CB TYR A 26 -3.232 9.749 9.388 1.00 0.00 C ATOM 377 CG TYR A 26 -4.209 10.607 8.581 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.486 10.828 9.055 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.813 11.159 7.380 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.406 11.635 8.296 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.733 11.966 6.621 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.984 12.164 7.116 1.00 0.00 C ATOM 383 OH TYR A 26 -6.853 12.927 6.399 1.00 0.00 O ATOM 0 H TYR A 26 -4.568 9.020 11.418 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.079 7.836 8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.049 10.231 10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.278 9.712 8.863 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.795 10.396 9.995 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.813 10.986 7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.408 11.816 8.655 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.436 12.404 5.680 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.415 13.239 5.580 1.00 0.00 H new ATOM 393 N ALA A 27 -1.695 7.064 9.256 1.00 0.00 N ATOM 394 CA ALA A 27 -0.541 6.261 9.623 1.00 0.00 C ATOM 395 C ALA A 27 0.693 6.779 8.881 1.00 0.00 C ATOM 396 O ALA A 27 0.594 7.704 8.076 1.00 0.00 O ATOM 397 CB ALA A 27 -0.827 4.788 9.323 1.00 0.00 C ATOM 0 H ALA A 27 -1.776 7.264 8.259 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.341 6.343 10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.039 4.186 9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.694 4.461 9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.030 4.666 8.259 1.00 0.00 H new ATOM 403 N ASP A 28 1.826 6.160 9.178 1.00 0.00 N ATOM 404 CA ASP A 28 3.077 6.547 8.548 1.00 0.00 C ATOM 405 C ASP A 28 3.914 5.295 8.275 1.00 0.00 C ATOM 406 O ASP A 28 3.999 4.405 9.119 1.00 0.00 O ATOM 407 CB ASP A 28 3.890 7.469 9.458 1.00 0.00 C ATOM 408 CG ASP A 28 4.419 6.815 10.736 1.00 0.00 C ATOM 409 OD1 ASP A 28 3.642 6.771 11.715 1.00 0.00 O ATOM 410 OD2 ASP A 28 5.588 6.374 10.706 1.00 0.00 O ATOM 0 H ASP A 28 1.904 5.393 9.846 1.00 0.00 H new ATOM 0 HA ASP A 28 2.840 7.071 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.735 7.860 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.269 8.321 9.734 1.00 0.00 H new ATOM 415 N TYR A 29 4.511 5.268 7.092 1.00 0.00 N ATOM 416 CA TYR A 29 5.338 4.141 6.698 1.00 0.00 C ATOM 417 C TYR A 29 6.502 4.597 5.816 1.00 0.00 C ATOM 418 O TYR A 29 6.585 5.767 5.447 1.00 0.00 O ATOM 419 CB TYR A 29 4.430 3.216 5.885 1.00 0.00 C ATOM 420 CG TYR A 29 3.253 2.644 6.678 1.00 0.00 C ATOM 421 CD1 TYR A 29 3.434 1.533 7.477 1.00 0.00 C ATOM 422 CD2 TYR A 29 2.011 3.239 6.595 1.00 0.00 C ATOM 423 CE1 TYR A 29 2.327 0.996 8.224 1.00 0.00 C ATOM 424 CE2 TYR A 29 0.903 2.702 7.342 1.00 0.00 C ATOM 425 CZ TYR A 29 1.116 1.606 8.119 1.00 0.00 C ATOM 426 OH TYR A 29 0.070 1.098 8.824 1.00 0.00 O ATOM 0 H TYR A 29 4.438 6.008 6.394 1.00 0.00 H new ATOM 0 HA TYR A 29 5.759 3.649 7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.044 3.766 5.027 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.026 2.392 5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.406 1.067 7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.870 4.108 5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.455 0.128 8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.074 3.159 7.287 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.731 1.635 8.653 1.00 0.00 H new ATOM 436 N GLU A 30 7.373 3.648 5.503 1.00 0.00 N ATOM 437 CA GLU A 30 8.529 3.938 4.672 1.00 0.00 C ATOM 438 C GLU A 30 8.430 3.185 3.344 1.00 0.00 C ATOM 439 O GLU A 30 8.813 3.708 2.299 1.00 0.00 O ATOM 440 CB GLU A 30 9.829 3.595 5.401 1.00 0.00 C ATOM 441 CG GLU A 30 9.892 2.104 5.737 1.00 0.00 C ATOM 442 CD GLU A 30 11.111 1.789 6.607 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.232 1.855 6.058 1.00 0.00 O ATOM 444 OE2 GLU A 30 10.894 1.488 7.801 1.00 0.00 O ATOM 0 H GLU A 30 7.301 2.678 5.810 1.00 0.00 H new ATOM 0 HA GLU A 30 8.541 5.007 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.682 3.868 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.902 4.181 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.982 1.806 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.937 1.522 4.817 1.00 0.00 H new ATOM 451 N SER A 31 7.914 1.967 3.428 1.00 0.00 N ATOM 452 CA SER A 31 7.760 1.136 2.246 1.00 0.00 C ATOM 453 C SER A 31 6.310 1.181 1.760 1.00 0.00 C ATOM 454 O SER A 31 5.380 1.077 2.559 1.00 0.00 O ATOM 455 CB SER A 31 8.180 -0.308 2.530 1.00 0.00 C ATOM 456 OG SER A 31 9.394 -0.650 1.867 1.00 0.00 O ATOM 0 H SER A 31 7.597 1.536 4.297 1.00 0.00 H new ATOM 0 HA SER A 31 8.411 1.528 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.302 -0.446 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.389 -0.986 2.210 1.00 0.00 H new ATOM 0 HG SER A 31 9.630 -1.578 2.074 1.00 0.00 H new ATOM 462 N VAL A 32 6.163 1.337 0.453 1.00 0.00 N ATOM 463 CA VAL A 32 4.842 1.398 -0.149 1.00 0.00 C ATOM 464 C VAL A 32 4.025 0.184 0.300 1.00 0.00 C ATOM 465 O VAL A 32 2.834 0.304 0.585 1.00 0.00 O ATOM 466 CB VAL A 32 4.964 1.506 -1.670 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.617 1.247 -2.349 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.532 2.866 -2.079 1.00 0.00 C ATOM 0 H VAL A 32 6.937 1.423 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 32 4.311 2.289 0.185 1.00 0.00 H new ATOM 0 HB VAL A 32 5.660 0.737 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.732 1.330 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.269 0.245 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.889 1.981 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.608 2.917 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.872 3.658 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.521 2.994 -1.639 1.00 0.00 H new ATOM 478 N ASN A 33 4.698 -0.956 0.349 1.00 0.00 N ATOM 479 CA ASN A 33 4.050 -2.190 0.759 1.00 0.00 C ATOM 480 C ASN A 33 3.373 -1.980 2.115 1.00 0.00 C ATOM 481 O ASN A 33 2.156 -2.115 2.233 1.00 0.00 O ATOM 482 CB ASN A 33 5.067 -3.323 0.909 1.00 0.00 C ATOM 483 CG ASN A 33 4.797 -4.139 2.175 1.00 0.00 C ATOM 484 OD1 ASN A 33 3.906 -4.971 2.231 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.614 -3.855 3.186 1.00 0.00 N ATOM 0 H ASN A 33 5.685 -1.051 0.112 1.00 0.00 H new ATOM 0 HA ASN A 33 3.322 -2.458 -0.006 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.022 -3.974 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.075 -2.909 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.515 -4.345 4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.339 -3.147 3.072 1.00 0.00 H new ATOM 492 N GLU A 34 4.191 -1.654 3.105 1.00 0.00 N ATOM 493 CA GLU A 34 3.687 -1.424 4.448 1.00 0.00 C ATOM 494 C GLU A 34 2.344 -0.693 4.393 1.00 0.00 C ATOM 495 O GLU A 34 1.398 -1.072 5.082 1.00 0.00 O ATOM 496 CB GLU A 34 4.701 -0.645 5.288 1.00 0.00 C ATOM 497 CG GLU A 34 6.032 -1.393 5.373 1.00 0.00 C ATOM 498 CD GLU A 34 5.822 -2.836 5.837 1.00 0.00 C ATOM 499 OE1 GLU A 34 4.834 -3.058 6.569 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.654 -3.684 5.448 1.00 0.00 O ATOM 0 H GLU A 34 5.200 -1.544 3.004 1.00 0.00 H new ATOM 0 HA GLU A 34 3.533 -2.391 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.861 0.340 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.304 -0.488 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.519 -1.388 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.699 -0.878 6.065 1.00 0.00 H new ATOM 507 N CYS A 35 2.302 0.341 3.565 1.00 0.00 N ATOM 508 CA CYS A 35 1.091 1.128 3.411 1.00 0.00 C ATOM 509 C CYS A 35 -0.040 0.190 2.981 1.00 0.00 C ATOM 510 O CYS A 35 -1.086 0.137 3.626 1.00 0.00 O ATOM 511 CB CYS A 35 1.285 2.278 2.421 1.00 0.00 C ATOM 512 SG CYS A 35 -0.300 3.153 2.158 1.00 0.00 S ATOM 0 H CYS A 35 3.088 0.652 2.994 1.00 0.00 H new ATOM 0 HA CYS A 35 0.834 1.594 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.034 2.973 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.659 1.893 1.472 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.123 4.129 1.317 1.00 0.00 H new ATOM 518 N MET A 36 0.209 -0.526 1.895 1.00 0.00 N ATOM 519 CA MET A 36 -0.774 -1.459 1.372 1.00 0.00 C ATOM 520 C MET A 36 -1.287 -2.390 2.472 1.00 0.00 C ATOM 521 O MET A 36 -2.480 -2.405 2.771 1.00 0.00 O ATOM 522 CB MET A 36 -0.145 -2.290 0.252 1.00 0.00 C ATOM 523 CG MET A 36 -0.284 -1.585 -1.099 1.00 0.00 C ATOM 524 SD MET A 36 1.180 -0.622 -1.439 1.00 0.00 S ATOM 525 CE MET A 36 0.456 1.004 -1.582 1.00 0.00 C ATOM 0 H MET A 36 1.078 -0.479 1.363 1.00 0.00 H new ATOM 0 HA MET A 36 -1.617 -0.888 0.983 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.909 -2.462 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.624 -3.268 0.207 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.437 -2.321 -1.888 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.161 -0.938 -1.092 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.908 1.531 -2.422 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.617 0.911 -1.747 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.635 1.564 -0.664 1.00 0.00 H new ATOM 535 N GLU A 37 -0.360 -3.143 3.045 1.00 0.00 N ATOM 536 CA GLU A 37 -0.703 -4.075 4.106 1.00 0.00 C ATOM 537 C GLU A 37 -1.760 -3.463 5.028 1.00 0.00 C ATOM 538 O GLU A 37 -2.858 -4.001 5.162 1.00 0.00 O ATOM 539 CB GLU A 37 0.541 -4.488 4.896 1.00 0.00 C ATOM 540 CG GLU A 37 0.707 -6.009 4.900 1.00 0.00 C ATOM 541 CD GLU A 37 1.261 -6.497 6.240 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.083 -5.753 6.818 1.00 0.00 O ATOM 543 OE2 GLU A 37 0.852 -7.602 6.656 1.00 0.00 O ATOM 0 H GLU A 37 0.629 -3.127 2.795 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.121 -4.974 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.425 -4.023 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.463 -4.124 5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.255 -6.484 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.378 -6.307 4.095 1.00 0.00 H new ATOM 550 N GLY A 38 -1.391 -2.348 5.640 1.00 0.00 N ATOM 551 CA GLY A 38 -2.293 -1.657 6.546 1.00 0.00 C ATOM 552 C GLY A 38 -3.744 -1.784 6.076 1.00 0.00 C ATOM 553 O GLY A 38 -4.640 -2.037 6.879 1.00 0.00 O ATOM 0 H GLY A 38 -0.479 -1.905 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.194 -2.071 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.017 -0.604 6.607 1.00 0.00 H new ATOM 557 N VAL A 39 -3.930 -1.602 4.777 1.00 0.00 N ATOM 558 CA VAL A 39 -5.256 -1.693 4.191 1.00 0.00 C ATOM 559 C VAL A 39 -5.736 -3.144 4.247 1.00 0.00 C ATOM 560 O VAL A 39 -6.776 -3.436 4.836 1.00 0.00 O ATOM 561 CB VAL A 39 -5.241 -1.123 2.771 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.522 -1.490 2.019 1.00 0.00 C ATOM 563 CG2 VAL A 39 -5.032 0.392 2.790 1.00 0.00 C ATOM 0 H VAL A 39 -3.184 -1.392 4.114 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.966 -1.094 4.760 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.401 -1.570 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.485 -1.073 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.611 -2.575 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.384 -1.084 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.025 0.771 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.841 0.864 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.080 0.622 3.268 1.00 0.00 H new ATOM 573 N CYS A 40 -4.955 -4.017 3.627 1.00 0.00 N ATOM 574 CA CYS A 40 -5.287 -5.431 3.600 1.00 0.00 C ATOM 575 C CYS A 40 -5.646 -5.868 5.021 1.00 0.00 C ATOM 576 O CYS A 40 -6.632 -6.574 5.227 1.00 0.00 O ATOM 577 CB CYS A 40 -4.147 -6.269 3.016 1.00 0.00 C ATOM 578 SG CYS A 40 -4.706 -7.991 2.754 1.00 0.00 S ATOM 0 H CYS A 40 -4.093 -3.772 3.140 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.142 -5.593 2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.815 -5.838 2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.291 -6.255 3.691 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.893 -8.144 3.262 1.00 0.00 H new ATOM 584 N LYS A 41 -4.826 -5.431 5.966 1.00 0.00 N ATOM 585 CA LYS A 41 -5.046 -5.768 7.362 1.00 0.00 C ATOM 586 C LYS A 41 -6.517 -5.539 7.712 1.00 0.00 C ATOM 587 O LYS A 41 -7.184 -6.438 8.224 1.00 0.00 O ATOM 588 CB LYS A 41 -4.074 -4.997 8.258 1.00 0.00 C ATOM 589 CG LYS A 41 -2.664 -4.993 7.662 1.00 0.00 C ATOM 590 CD LYS A 41 -1.625 -5.399 8.709 1.00 0.00 C ATOM 591 CE LYS A 41 -1.637 -6.913 8.935 1.00 0.00 C ATOM 592 NZ LYS A 41 -2.791 -7.302 9.776 1.00 0.00 N ATOM 0 H LYS A 41 -4.008 -4.847 5.792 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.837 -6.823 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.423 -3.972 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.052 -5.448 9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.621 -5.679 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.430 -4.000 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.633 -5.084 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.830 -4.886 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.688 -7.429 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.709 -7.222 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.566 -8.177 10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.996 -6.543 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.623 -7.460 9.172 1.00 0.00 H new ATOM 606 N MET A 42 -6.982 -4.333 7.423 1.00 0.00 N ATOM 607 CA MET A 42 -8.362 -3.975 7.700 1.00 0.00 C ATOM 608 C MET A 42 -9.290 -5.175 7.499 1.00 0.00 C ATOM 609 O MET A 42 -9.791 -5.747 8.466 1.00 0.00 O ATOM 610 CB MET A 42 -8.791 -2.836 6.774 1.00 0.00 C ATOM 611 CG MET A 42 -7.912 -1.601 6.980 1.00 0.00 C ATOM 612 SD MET A 42 -8.845 -0.121 6.624 1.00 0.00 S ATOM 613 CE MET A 42 -8.435 0.096 4.900 1.00 0.00 C ATOM 0 H MET A 42 -6.426 -3.590 6.999 1.00 0.00 H new ATOM 0 HA MET A 42 -8.433 -3.655 8.739 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.727 -3.163 5.736 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.833 -2.581 6.965 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.546 -1.572 8.006 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.038 -1.654 6.331 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.242 0.631 4.399 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.512 0.669 4.815 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.300 -0.879 4.432 1.00 0.00 H new ATOM 623 N TYR A 43 -9.492 -5.520 6.236 1.00 0.00 N ATOM 624 CA TYR A 43 -10.352 -6.641 5.895 1.00 0.00 C ATOM 625 C TYR A 43 -9.969 -7.888 6.694 1.00 0.00 C ATOM 626 O TYR A 43 -10.835 -8.569 7.241 1.00 0.00 O ATOM 627 CB TYR A 43 -10.120 -6.912 4.407 1.00 0.00 C ATOM 628 CG TYR A 43 -11.185 -7.803 3.764 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.475 -7.336 3.611 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.856 -9.074 3.337 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.477 -8.174 3.006 1.00 0.00 C ATOM 632 CE2 TYR A 43 -11.859 -9.912 2.732 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.120 -9.421 2.596 1.00 0.00 C ATOM 634 OH TYR A 43 -14.066 -10.213 2.024 1.00 0.00 O ATOM 0 H TYR A 43 -9.075 -5.043 5.436 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.393 -6.409 6.121 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.087 -5.961 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.144 -7.381 4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.733 -6.342 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.847 -9.440 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.490 -7.821 2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.615 -10.908 2.394 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.726 -9.654 1.563 1.00 0.00 H new ATOM 644 N GLU A 44 -8.671 -8.150 6.736 1.00 0.00 N ATOM 645 CA GLU A 44 -8.163 -9.303 7.459 1.00 0.00 C ATOM 646 C GLU A 44 -8.683 -9.299 8.898 1.00 0.00 C ATOM 647 O GLU A 44 -9.151 -10.322 9.396 1.00 0.00 O ATOM 648 CB GLU A 44 -6.633 -9.338 7.430 1.00 0.00 C ATOM 649 CG GLU A 44 -6.122 -9.791 6.061 1.00 0.00 C ATOM 650 CD GLU A 44 -5.180 -10.989 6.195 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.583 -11.122 7.286 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.079 -11.745 5.205 1.00 0.00 O ATOM 0 H GLU A 44 -7.956 -7.583 6.281 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.524 -10.205 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.238 -8.348 7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.266 -10.015 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.966 -10.057 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.601 -8.967 5.573 1.00 0.00 H new ATOM 659 N GLU A 45 -8.585 -8.136 9.526 1.00 0.00 N ATOM 660 CA GLU A 45 -9.040 -7.985 10.897 1.00 0.00 C ATOM 661 C GLU A 45 -10.457 -8.542 11.051 1.00 0.00 C ATOM 662 O GLU A 45 -10.667 -9.530 11.754 1.00 0.00 O ATOM 663 CB GLU A 45 -8.976 -6.522 11.339 1.00 0.00 C ATOM 664 CG GLU A 45 -7.551 -5.976 11.221 1.00 0.00 C ATOM 665 CD GLU A 45 -6.787 -6.150 12.535 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.159 -5.455 13.505 1.00 0.00 O ATOM 667 OE2 GLU A 45 -5.847 -6.975 12.540 1.00 0.00 O ATOM 0 H GLU A 45 -8.197 -7.289 9.110 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.374 -8.555 11.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.651 -5.923 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.319 -6.434 12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.025 -6.493 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.583 -4.920 10.952 1.00 0.00 H new ATOM 674 N HIS A 46 -11.393 -7.885 10.381 1.00 0.00 N ATOM 675 CA HIS A 46 -12.783 -8.302 10.434 1.00 0.00 C ATOM 676 C HIS A 46 -12.879 -9.805 10.162 1.00 0.00 C ATOM 677 O HIS A 46 -13.848 -10.451 10.558 1.00 0.00 O ATOM 678 CB HIS A 46 -13.637 -7.470 9.475 1.00 0.00 C ATOM 679 CG HIS A 46 -14.863 -8.188 8.964 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.041 -8.269 9.687 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.083 -8.855 7.795 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.922 -8.957 8.976 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.326 -9.320 7.803 1.00 0.00 N ATOM 0 H HIS A 46 -11.215 -7.067 9.799 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.182 -8.123 11.432 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -13.948 -6.556 9.981 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.024 -7.170 8.625 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.366 -8.983 6.997 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.934 -9.190 9.272 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.764 -9.859 7.056 1.00 0.00 H new ATOM 691 N LEU A 47 -11.861 -10.317 9.486 1.00 0.00 N ATOM 692 CA LEU A 47 -11.818 -11.732 9.156 1.00 0.00 C ATOM 693 C LEU A 47 -11.286 -12.516 10.358 1.00 0.00 C ATOM 694 O LEU A 47 -11.872 -13.521 10.756 1.00 0.00 O ATOM 695 CB LEU A 47 -11.019 -11.958 7.871 1.00 0.00 C ATOM 696 CG LEU A 47 -11.841 -12.175 6.600 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.884 -11.070 6.426 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.933 -12.304 5.375 1.00 0.00 C ATOM 0 H LEU A 47 -11.060 -9.778 9.158 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.821 -12.106 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.367 -11.098 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.374 -12.825 8.015 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.382 -13.116 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.455 -11.249 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.559 -11.068 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.383 -10.104 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.543 -12.458 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.346 -11.393 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.263 -13.153 5.507 1.00 0.00 H new ATOM 710 N LYS A 48 -10.182 -12.026 10.901 1.00 0.00 N ATOM 711 CA LYS A 48 -9.564 -12.668 12.049 1.00 0.00 C ATOM 712 C LYS A 48 -10.656 -13.175 12.993 1.00 0.00 C ATOM 713 O LYS A 48 -10.761 -14.376 13.238 1.00 0.00 O ATOM 714 CB LYS A 48 -8.563 -11.723 12.717 1.00 0.00 C ATOM 715 CG LYS A 48 -7.257 -12.450 13.044 1.00 0.00 C ATOM 716 CD LYS A 48 -6.055 -11.708 12.454 1.00 0.00 C ATOM 717 CE LYS A 48 -5.732 -12.219 11.049 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.304 -11.991 10.731 1.00 0.00 N ATOM 0 H LYS A 48 -9.699 -11.192 10.568 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.986 -13.537 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.359 -10.879 12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.996 -11.316 13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.143 -12.533 14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.293 -13.465 12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.265 -10.639 12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.188 -11.840 13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.961 -13.283 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.360 -11.710 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.157 -12.085 9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.029 -11.035 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.721 -12.693 11.230 1.00 0.00 H new ATOM 732 N ARG A 49 -11.441 -12.235 13.498 1.00 0.00 N ATOM 733 CA ARG A 49 -12.521 -12.572 14.409 1.00 0.00 C ATOM 734 C ARG A 49 -13.368 -13.708 13.832 1.00 0.00 C ATOM 735 O ARG A 49 -13.762 -14.622 14.555 1.00 0.00 O ATOM 736 CB ARG A 49 -13.417 -11.360 14.673 1.00 0.00 C ATOM 737 CG ARG A 49 -13.696 -10.592 13.379 1.00 0.00 C ATOM 738 CD ARG A 49 -15.191 -10.595 13.052 1.00 0.00 C ATOM 739 NE ARG A 49 -15.743 -9.229 13.197 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.042 -8.960 13.383 1.00 0.00 C ATOM 741 NH1 ARG A 49 -17.931 -9.960 13.449 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.453 -7.690 13.504 1.00 0.00 N ATOM 0 H ARG A 49 -11.350 -11.240 13.293 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.073 -12.891 15.350 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.358 -11.688 15.115 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.938 -10.700 15.396 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.344 -9.565 13.478 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.139 -11.042 12.557 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.349 -10.954 12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.716 -11.281 13.717 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.094 -8.444 13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.619 -10.927 13.358 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.920 -9.755 13.591 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.777 -6.928 13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.442 -7.485 13.646 1.00 0.00 H new ATOM 756 N MET A 50 -13.623 -13.613 12.536 1.00 0.00 N ATOM 757 CA MET A 50 -14.416 -14.621 11.853 1.00 0.00 C ATOM 758 C MET A 50 -13.655 -15.945 11.757 1.00 0.00 C ATOM 759 O MET A 50 -14.230 -17.013 11.961 1.00 0.00 O ATOM 760 CB MET A 50 -14.767 -14.130 10.447 1.00 0.00 C ATOM 761 CG MET A 50 -15.791 -12.995 10.503 1.00 0.00 C ATOM 762 SD MET A 50 -17.274 -13.467 9.628 1.00 0.00 S ATOM 763 CE MET A 50 -16.566 -13.976 8.071 1.00 0.00 C ATOM 0 H MET A 50 -13.294 -12.853 11.940 1.00 0.00 H new ATOM 0 HA MET A 50 -15.328 -14.788 12.426 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.864 -13.786 9.942 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.166 -14.956 9.858 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.030 -12.761 11.540 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.370 -12.092 10.061 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.245 -13.713 7.260 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.611 -13.471 7.923 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.409 -15.055 8.078 1.00 0.00 H new ATOM 773 N ASN A 51 -12.372 -15.831 11.445 1.00 0.00 N ATOM 774 CA ASN A 51 -11.526 -17.006 11.319 1.00 0.00 C ATOM 775 C ASN A 51 -10.423 -16.951 12.379 1.00 0.00 C ATOM 776 O ASN A 51 -9.452 -16.211 12.231 1.00 0.00 O ATOM 777 CB ASN A 51 -10.858 -17.058 9.944 1.00 0.00 C ATOM 778 CG ASN A 51 -11.888 -16.881 8.827 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.233 -17.808 8.113 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.357 -15.641 8.715 1.00 0.00 N ATOM 0 H ASN A 51 -11.898 -14.944 11.276 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.152 -17.888 11.449 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.102 -16.276 9.873 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.344 -18.011 9.821 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.048 -15.420 7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.025 -14.911 9.346 1.00 0.00 H new ATOM 787 N PRO A 52 -10.616 -17.765 13.451 1.00 0.00 N ATOM 788 CA PRO A 52 -9.649 -17.816 14.535 1.00 0.00 C ATOM 789 C PRO A 52 -8.402 -18.599 14.120 1.00 0.00 C ATOM 790 O PRO A 52 -7.288 -18.081 14.189 1.00 0.00 O ATOM 791 CB PRO A 52 -10.393 -18.456 15.695 1.00 0.00 C ATOM 792 CG PRO A 52 -11.594 -19.160 15.084 1.00 0.00 C ATOM 793 CD PRO A 52 -11.754 -18.655 13.659 1.00 0.00 C ATOM 0 HA PRO A 52 -9.276 -16.830 14.813 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.755 -19.162 16.226 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.708 -17.704 16.419 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.448 -20.240 15.092 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.493 -18.955 15.665 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.749 -19.478 12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -12.699 -18.127 13.530 1.00 0.00 H new ATOM 801 N ASN A 53 -8.630 -19.834 13.698 1.00 0.00 N ATOM 802 CA ASN A 53 -7.538 -20.693 13.273 1.00 0.00 C ATOM 803 C ASN A 53 -6.721 -19.977 12.196 1.00 0.00 C ATOM 804 O ASN A 53 -5.499 -20.112 12.147 1.00 0.00 O ATOM 805 CB ASN A 53 -8.066 -21.999 12.675 1.00 0.00 C ATOM 806 CG ASN A 53 -8.996 -22.715 13.657 1.00 0.00 C ATOM 807 OD1 ASN A 53 -10.283 -22.415 13.500 1.00 0.00 O flip ATOM 808 ND2 ASN A 53 -8.574 -23.488 14.501 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.555 -20.260 13.641 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.926 -20.917 14.146 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.601 -21.789 11.749 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.230 -22.650 12.419 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.573 -23.674 14.567 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.222 -23.948 15.140 1.00 0.00 H new ATOM 815 N SER A 54 -7.428 -19.231 11.360 1.00 0.00 N ATOM 816 CA SER A 54 -6.783 -18.493 10.288 1.00 0.00 C ATOM 817 C SER A 54 -5.466 -17.892 10.784 1.00 0.00 C ATOM 818 O SER A 54 -5.463 -16.851 11.439 1.00 0.00 O ATOM 819 CB SER A 54 -7.699 -17.392 9.748 1.00 0.00 C ATOM 820 OG SER A 54 -8.424 -17.817 8.597 1.00 0.00 O ATOM 0 H SER A 54 -8.441 -19.122 11.404 1.00 0.00 H new ATOM 0 HA SER A 54 -6.574 -19.187 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.400 -17.089 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.103 -16.515 9.497 1.00 0.00 H new ATOM 0 HG SER A 54 -8.703 -18.749 8.712 1.00 0.00 H new ATOM 826 N PRO A 55 -4.351 -18.592 10.443 1.00 0.00 N ATOM 827 CA PRO A 55 -3.031 -18.138 10.847 1.00 0.00 C ATOM 828 C PRO A 55 -2.580 -16.943 10.004 1.00 0.00 C ATOM 829 O PRO A 55 -2.013 -15.987 10.530 1.00 0.00 O ATOM 830 CB PRO A 55 -2.131 -19.352 10.685 1.00 0.00 C ATOM 831 CG PRO A 55 -2.876 -20.303 9.761 1.00 0.00 C ATOM 832 CD PRO A 55 -4.317 -19.828 9.668 1.00 0.00 C ATOM 0 HA PRO A 55 -3.007 -17.775 11.875 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.167 -19.070 10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.930 -19.821 11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.414 -20.317 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.834 -21.322 10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.611 -19.654 8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.005 -20.569 10.074 1.00 0.00 H new ATOM 840 N SER A 56 -2.850 -17.037 8.710 1.00 0.00 N ATOM 841 CA SER A 56 -2.479 -15.976 7.790 1.00 0.00 C ATOM 842 C SER A 56 -3.716 -15.480 7.038 1.00 0.00 C ATOM 843 O SER A 56 -3.619 -14.585 6.199 1.00 0.00 O ATOM 844 CB SER A 56 -1.412 -16.451 6.802 1.00 0.00 C ATOM 845 OG SER A 56 -1.086 -15.447 5.844 1.00 0.00 O ATOM 0 H SER A 56 -3.321 -17.832 8.277 1.00 0.00 H new ATOM 0 HA SER A 56 -2.059 -15.153 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.513 -16.736 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.767 -17.343 6.286 1.00 0.00 H new ATOM 0 HG SER A 56 -1.802 -14.779 5.814 1.00 0.00 H new ATOM 851 N ILE A 57 -4.849 -16.083 7.364 1.00 0.00 N ATOM 852 CA ILE A 57 -6.103 -15.714 6.730 1.00 0.00 C ATOM 853 C ILE A 57 -6.062 -16.118 5.255 1.00 0.00 C ATOM 854 O ILE A 57 -5.003 -16.460 4.731 1.00 0.00 O ATOM 855 CB ILE A 57 -6.400 -14.230 6.953 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.478 -13.904 8.446 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.667 -13.806 6.207 1.00 0.00 C ATOM 858 CD1 ILE A 57 -7.871 -13.398 8.825 1.00 0.00 C ATOM 0 H ILE A 57 -4.925 -16.825 8.059 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.933 -16.253 7.186 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.574 -13.651 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.239 -14.794 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.733 -13.149 8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.855 -12.747 6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.535 -13.979 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.514 -14.390 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.899 -13.174 9.891 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.097 -12.495 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.611 -14.165 8.596 1.00 0.00 H new ATOM 870 N THR A 58 -7.227 -16.066 4.627 1.00 0.00 N ATOM 871 CA THR A 58 -7.338 -16.422 3.223 1.00 0.00 C ATOM 872 C THR A 58 -8.743 -16.114 2.703 1.00 0.00 C ATOM 873 O THR A 58 -9.735 -16.494 3.323 1.00 0.00 O ATOM 874 CB THR A 58 -6.945 -17.894 3.076 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.318 -17.960 1.798 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.160 -18.814 2.943 1.00 0.00 C ATOM 0 H THR A 58 -8.103 -15.782 5.065 1.00 0.00 H new ATOM 0 HA THR A 58 -6.661 -15.827 2.610 1.00 0.00 H new ATOM 0 HB THR A 58 -6.352 -18.199 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.030 -18.880 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.825 -19.846 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.786 -18.721 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.736 -18.531 2.062 1.00 0.00 H new ATOM 884 N TYR A 59 -8.783 -15.428 1.570 1.00 0.00 N ATOM 885 CA TYR A 59 -10.051 -15.064 0.960 1.00 0.00 C ATOM 886 C TYR A 59 -9.838 -14.472 -0.435 1.00 0.00 C ATOM 887 O TYR A 59 -8.702 -14.321 -0.882 1.00 0.00 O ATOM 888 CB TYR A 59 -10.664 -13.995 1.867 1.00 0.00 C ATOM 889 CG TYR A 59 -9.700 -12.866 2.237 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.475 -11.833 1.350 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.056 -12.881 3.457 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.568 -10.770 1.698 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.149 -11.818 3.806 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.950 -10.815 2.909 1.00 0.00 C ATOM 895 OH TYR A 59 -7.094 -9.811 3.238 1.00 0.00 O ATOM 0 H TYR A 59 -7.958 -15.115 1.059 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.692 -15.940 0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.535 -13.567 1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.020 -14.469 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.979 -11.822 0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.232 -13.690 4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.383 -9.956 1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.639 -11.817 4.758 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.322 -9.828 2.634 1.00 0.00 H new ATOM 905 N ASP A 60 -10.949 -14.153 -1.083 1.00 0.00 N ATOM 906 CA ASP A 60 -10.898 -13.581 -2.418 1.00 0.00 C ATOM 907 C ASP A 60 -10.624 -12.080 -2.314 1.00 0.00 C ATOM 908 O ASP A 60 -11.295 -11.373 -1.563 1.00 0.00 O ATOM 909 CB ASP A 60 -12.229 -13.770 -3.149 1.00 0.00 C ATOM 910 CG ASP A 60 -12.469 -15.176 -3.702 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.953 -15.446 -4.808 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.163 -15.949 -3.007 1.00 0.00 O ATOM 0 H ASP A 60 -11.889 -14.280 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.107 -14.087 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.040 -13.522 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.278 -13.058 -3.973 1.00 0.00 H new ATOM 917 N ILE A 61 -9.638 -11.636 -3.080 1.00 0.00 N ATOM 918 CA ILE A 61 -9.268 -10.231 -3.084 1.00 0.00 C ATOM 919 C ILE A 61 -10.454 -9.396 -3.569 1.00 0.00 C ATOM 920 O ILE A 61 -10.724 -8.323 -3.032 1.00 0.00 O ATOM 921 CB ILE A 61 -7.991 -10.016 -3.898 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.812 -9.664 -2.988 1.00 0.00 C ATOM 923 CG2 ILE A 61 -8.207 -8.965 -4.989 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.496 -9.673 -3.767 1.00 0.00 C ATOM 0 H ILE A 61 -9.084 -12.225 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.035 -9.896 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.743 -10.953 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.970 -8.680 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.757 -10.378 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.284 -8.831 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.998 -9.296 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.493 -8.018 -4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.675 -9.420 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.329 -10.665 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.545 -8.941 -4.573 1.00 0.00 H new ATOM 936 N SER A 62 -11.132 -9.921 -4.580 1.00 0.00 N ATOM 937 CA SER A 62 -12.284 -9.238 -5.143 1.00 0.00 C ATOM 938 C SER A 62 -13.293 -8.916 -4.040 1.00 0.00 C ATOM 939 O SER A 62 -14.126 -8.025 -4.196 1.00 0.00 O ATOM 940 CB SER A 62 -12.943 -10.080 -6.237 1.00 0.00 C ATOM 941 OG SER A 62 -13.146 -9.335 -7.435 1.00 0.00 O ATOM 0 H SER A 62 -10.905 -10.811 -5.023 1.00 0.00 H new ATOM 0 HA SER A 62 -11.942 -8.307 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.320 -10.948 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.901 -10.456 -5.877 1.00 0.00 H new ATOM 0 HG SER A 62 -13.567 -9.908 -8.109 1.00 0.00 H new ATOM 947 N GLN A 63 -13.186 -9.660 -2.949 1.00 0.00 N ATOM 948 CA GLN A 63 -14.079 -9.466 -1.819 1.00 0.00 C ATOM 949 C GLN A 63 -13.510 -8.413 -0.867 1.00 0.00 C ATOM 950 O GLN A 63 -14.234 -7.535 -0.401 1.00 0.00 O ATOM 951 CB GLN A 63 -14.335 -10.785 -1.088 1.00 0.00 C ATOM 952 CG GLN A 63 -15.834 -11.066 -0.970 1.00 0.00 C ATOM 953 CD GLN A 63 -16.433 -11.428 -2.331 1.00 0.00 C ATOM 954 OE1 GLN A 63 -15.837 -12.125 -3.135 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.643 -10.916 -2.542 1.00 0.00 N ATOM 0 H GLN A 63 -12.494 -10.399 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.036 -9.107 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.850 -11.601 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.890 -10.746 -0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.000 -11.882 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.341 -10.189 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.085 -10.340 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.128 -11.099 -3.420 1.00 0.00 H new ATOM 964 N LEU A 64 -12.216 -8.535 -0.606 1.00 0.00 N ATOM 965 CA LEU A 64 -11.541 -7.605 0.282 1.00 0.00 C ATOM 966 C LEU A 64 -11.876 -6.172 -0.136 1.00 0.00 C ATOM 967 O LEU A 64 -12.253 -5.350 0.698 1.00 0.00 O ATOM 968 CB LEU A 64 -10.040 -7.897 0.324 1.00 0.00 C ATOM 969 CG LEU A 64 -9.120 -6.676 0.386 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.537 -5.732 1.515 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.654 -7.100 0.505 1.00 0.00 C ATOM 0 H LEU A 64 -11.618 -9.264 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.896 -7.731 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.836 -8.525 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.779 -8.479 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.221 -6.124 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.867 -4.873 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.558 -5.391 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.483 -6.258 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.021 -6.214 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.518 -7.687 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.378 -7.702 -0.361 1.00 0.00 H new ATOM 983 N PHE A 65 -11.728 -5.916 -1.427 1.00 0.00 N ATOM 984 CA PHE A 65 -12.011 -4.597 -1.967 1.00 0.00 C ATOM 985 C PHE A 65 -13.494 -4.250 -1.819 1.00 0.00 C ATOM 986 O PHE A 65 -13.854 -3.078 -1.719 1.00 0.00 O ATOM 987 CB PHE A 65 -11.654 -4.635 -3.454 1.00 0.00 C ATOM 988 CG PHE A 65 -10.179 -4.930 -3.733 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.267 -4.846 -2.727 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.780 -5.276 -4.986 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.898 -5.119 -2.986 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.411 -5.550 -5.244 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.498 -5.465 -4.239 1.00 0.00 C ATOM 0 H PHE A 65 -11.415 -6.600 -2.116 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.434 -3.844 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.265 -5.393 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.914 -3.677 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.584 -4.572 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.504 -5.342 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.174 -5.052 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.094 -5.826 -6.239 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.457 -5.672 -4.436 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.314 -5.291 -1.808 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.749 -5.111 -1.674 1.00 0.00 C ATOM 1005 C ASP A 66 -16.039 -4.260 -0.436 1.00 0.00 C ATOM 1006 O ASP A 66 -17.075 -3.602 -0.360 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.459 -6.456 -1.500 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.831 -6.555 -2.170 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -17.851 -6.879 -3.377 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.828 -6.304 -1.460 1.00 0.00 O ATOM 0 H ASP A 66 -14.012 -6.262 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.114 -4.625 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.819 -7.242 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.577 -6.652 -0.434 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.105 -4.302 0.503 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.247 -3.542 1.734 1.00 0.00 C ATOM 1017 C PHE A 67 -14.635 -2.147 1.591 1.00 0.00 C ATOM 1018 O PHE A 67 -15.076 -1.203 2.244 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.492 -4.309 2.821 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.609 -3.426 3.705 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.173 -2.636 4.658 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.259 -3.431 3.538 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.352 -1.817 5.478 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.439 -2.612 4.358 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.003 -1.823 5.311 1.00 0.00 C ATOM 0 H PHE A 67 -14.247 -4.850 0.436 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.302 -3.422 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.213 -4.831 3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.871 -5.070 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.245 -2.632 4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.811 -4.058 2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.800 -1.189 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.367 -2.616 4.225 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.379 -1.201 5.935 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.629 -2.062 0.733 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.952 -0.799 0.496 1.00 0.00 C ATOM 1037 C ILE A 68 -13.955 0.218 -0.052 1.00 0.00 C ATOM 1038 O ILE A 68 -13.882 1.403 0.268 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.732 -1.005 -0.403 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.532 -1.503 0.406 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.406 0.268 -1.187 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.378 -1.904 -0.516 1.00 0.00 C ATOM 0 H ILE A 68 -13.266 -2.848 0.193 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.565 -0.394 1.431 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.973 -1.779 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.201 -0.722 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.829 -2.356 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.534 0.094 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.258 0.539 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.193 1.080 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.538 -2.254 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.705 -2.702 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.068 -1.042 -1.107 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.870 -0.283 -0.869 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.887 0.566 -1.465 1.00 0.00 C ATOM 1056 C ASP A 69 -16.859 1.029 -0.378 1.00 0.00 C ATOM 1057 O ASP A 69 -17.287 2.182 -0.374 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.689 -0.194 -2.524 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.768 0.628 -3.231 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -18.307 1.544 -2.572 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -18.031 0.322 -4.414 1.00 0.00 O ATOM 0 H ASP A 69 -14.928 -1.267 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.387 1.414 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.998 -0.580 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.161 -1.056 -2.052 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.180 0.107 0.517 1.00 0.00 N ATOM 1067 CA ASP A 70 -18.093 0.406 1.606 1.00 0.00 C ATOM 1068 C ASP A 70 -17.603 1.649 2.350 1.00 0.00 C ATOM 1069 O ASP A 70 -18.404 2.490 2.756 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.156 -0.750 2.606 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.451 -0.837 3.415 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.522 -0.868 2.770 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.342 -0.870 4.660 1.00 0.00 O ATOM 0 H ASP A 70 -16.823 -0.849 0.510 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.083 0.568 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.020 -1.686 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.319 -0.658 3.298 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.290 1.726 2.508 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.683 2.853 3.196 1.00 0.00 C ATOM 1080 C LEU A 71 -16.165 4.156 2.556 1.00 0.00 C ATOM 1081 O LEU A 71 -16.784 4.138 1.493 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.160 2.707 3.223 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.615 1.496 3.982 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -12.174 1.193 3.569 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.749 1.691 5.494 1.00 0.00 C ATOM 0 H LEU A 71 -15.629 1.026 2.171 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.996 2.876 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.801 2.658 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.736 3.609 3.665 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.216 0.627 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.811 0.328 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.139 0.980 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.544 2.055 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.354 0.816 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.188 2.575 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.800 1.821 5.752 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.864 5.256 3.230 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.259 6.566 2.740 1.00 0.00 C ATOM 1099 C ALA A 72 -15.322 6.985 1.605 1.00 0.00 C ATOM 1100 O ALA A 72 -15.762 7.567 0.615 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.256 7.566 3.897 1.00 0.00 C ATOM 0 H ALA A 72 -15.351 5.267 4.112 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.272 6.536 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.552 8.548 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.959 7.238 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.255 7.625 4.324 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.047 6.673 1.788 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.044 7.010 0.792 1.00 0.00 C ATOM 1109 C ASP A 73 -11.655 6.683 1.342 1.00 0.00 C ATOM 1110 O ASP A 73 -11.267 7.184 2.397 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.080 8.503 0.457 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.924 8.998 -0.414 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.709 8.378 -1.478 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.282 9.986 0.004 1.00 0.00 O ATOM 0 H ASP A 73 -13.686 6.191 2.611 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.256 6.433 -0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.019 8.723 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.082 9.069 1.388 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.942 5.845 0.603 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.604 5.445 1.005 1.00 0.00 C ATOM 1121 C LEU A 74 -8.577 6.175 0.137 1.00 0.00 C ATOM 1122 O LEU A 74 -8.705 6.211 -1.086 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.467 3.922 0.969 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.588 3.302 2.058 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -9.277 3.369 3.422 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.184 1.873 1.689 1.00 0.00 C ATOM 0 H LEU A 74 -11.266 5.432 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.413 5.735 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.463 3.486 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.064 3.636 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.671 3.887 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.632 2.922 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.472 4.410 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.219 2.823 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.560 1.456 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.078 1.261 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.626 1.883 0.753 1.00 0.00 H new ATOM 1138 N SER A 75 -7.581 6.740 0.804 1.00 0.00 N ATOM 1139 CA SER A 75 -6.533 7.468 0.109 1.00 0.00 C ATOM 1140 C SER A 75 -5.183 7.208 0.781 1.00 0.00 C ATOM 1141 O SER A 75 -5.124 6.613 1.856 1.00 0.00 O ATOM 1142 CB SER A 75 -6.830 8.968 0.079 1.00 0.00 C ATOM 1143 OG SER A 75 -7.712 9.359 1.128 1.00 0.00 O ATOM 0 H SER A 75 -7.478 6.708 1.818 1.00 0.00 H new ATOM 0 HA SER A 75 -6.495 7.113 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.896 9.524 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.271 9.231 -0.882 1.00 0.00 H new ATOM 0 HG SER A 75 -7.875 10.324 1.075 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.130 7.666 0.118 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.785 7.490 0.637 1.00 0.00 C ATOM 1151 C CYS A 76 -1.880 8.541 -0.009 1.00 0.00 C ATOM 1152 O CYS A 76 -2.236 9.130 -1.028 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.269 6.069 0.402 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.520 5.594 -1.347 1.00 0.00 S ATOM 0 H CYS A 76 -4.182 8.158 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.788 7.630 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.210 6.011 0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.792 5.371 1.056 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.405 5.739 -2.000 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.726 8.743 0.610 1.00 0.00 N ATOM 1161 CA LEU A 77 0.233 9.712 0.108 1.00 0.00 C ATOM 1162 C LEU A 77 1.615 9.061 0.027 1.00 0.00 C ATOM 1163 O LEU A 77 2.007 8.315 0.923 1.00 0.00 O ATOM 1164 CB LEU A 77 0.202 10.986 0.956 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.128 11.741 0.983 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.644 11.994 -0.435 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.158 11.008 1.845 1.00 0.00 C ATOM 0 H LEU A 77 -0.434 8.252 1.455 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.033 10.023 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.469 10.724 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.974 11.662 0.588 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.958 12.715 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.591 12.532 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.916 12.589 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.794 11.041 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.094 11.566 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.330 10.012 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.784 10.923 2.865 1.00 0.00 H new ATOM 1179 N VAL A 78 2.316 9.367 -1.055 1.00 0.00 N ATOM 1180 CA VAL A 78 3.646 8.821 -1.265 1.00 0.00 C ATOM 1181 C VAL A 78 4.661 9.965 -1.311 1.00 0.00 C ATOM 1182 O VAL A 78 4.462 10.948 -2.023 1.00 0.00 O ATOM 1183 CB VAL A 78 3.663 7.955 -2.526 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.990 7.204 -2.657 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.480 6.986 -2.542 1.00 0.00 C ATOM 0 H VAL A 78 1.988 9.986 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 78 3.927 8.171 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 78 3.565 8.616 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.976 6.596 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.809 7.920 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.131 6.560 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.516 6.383 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.532 6.334 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.547 7.550 -2.518 1.00 0.00 H new ATOM 1195 N TYR A 79 5.727 9.799 -0.542 1.00 0.00 N ATOM 1196 CA TYR A 79 6.773 10.805 -0.486 1.00 0.00 C ATOM 1197 C TYR A 79 7.916 10.462 -1.443 1.00 0.00 C ATOM 1198 O TYR A 79 8.565 9.428 -1.295 1.00 0.00 O ATOM 1199 CB TYR A 79 7.303 10.784 0.950 1.00 0.00 C ATOM 1200 CG TYR A 79 8.073 12.044 1.348 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.154 12.459 0.596 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.687 12.767 2.458 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.879 13.645 0.971 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.413 13.953 2.833 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.472 14.334 2.071 1.00 0.00 C ATOM 1206 OH TYR A 79 10.157 15.454 2.425 1.00 0.00 O ATOM 0 H TYR A 79 5.889 8.982 0.048 1.00 0.00 H new ATOM 0 HA TYR A 79 6.382 11.781 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.465 10.652 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.954 9.919 1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.456 11.894 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.841 12.444 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.727 13.980 0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.122 14.527 3.701 1.00 0.00 H new ATOM 0 HH TYR A 79 9.754 15.843 3.229 1.00 0.00 H new ATOM 1216 N ARG A 80 8.127 11.350 -2.404 1.00 0.00 N ATOM 1217 CA ARG A 80 9.180 11.153 -3.386 1.00 0.00 C ATOM 1218 C ARG A 80 10.211 12.280 -3.291 1.00 0.00 C ATOM 1219 O ARG A 80 9.889 13.442 -3.534 1.00 0.00 O ATOM 1220 CB ARG A 80 8.609 11.112 -4.805 1.00 0.00 C ATOM 1221 CG ARG A 80 7.345 11.966 -4.913 1.00 0.00 C ATOM 1222 CD ARG A 80 7.035 12.307 -6.372 1.00 0.00 C ATOM 1223 NE ARG A 80 6.591 11.092 -7.092 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.078 11.098 -8.329 1.00 0.00 C ATOM 1225 NH1 ARG A 80 5.941 12.254 -8.993 1.00 0.00 N ATOM 1226 NH2 ARG A 80 5.701 9.947 -8.904 1.00 0.00 N ATOM 0 H ARG A 80 7.587 12.207 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 80 9.659 10.198 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.357 11.472 -5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.381 10.082 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.502 11.432 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.473 12.885 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.259 13.071 -6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.921 12.722 -6.853 1.00 0.00 H new ATOM 0 HE ARG A 80 6.681 10.194 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.228 13.130 -8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.550 12.258 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.805 9.067 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.310 9.952 -9.846 1.00 0.00 H new ATOM 1240 N ALA A 81 11.429 11.897 -2.937 1.00 0.00 N ATOM 1241 CA ALA A 81 12.508 12.860 -2.807 1.00 0.00 C ATOM 1242 C ALA A 81 12.840 13.437 -4.185 1.00 0.00 C ATOM 1243 O ALA A 81 13.577 14.416 -4.291 1.00 0.00 O ATOM 1244 CB ALA A 81 13.716 12.189 -2.151 1.00 0.00 C ATOM 0 H ALA A 81 11.692 10.932 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 81 12.207 13.688 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.526 12.912 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.437 11.822 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 81 14.048 11.354 -2.768 1.00 0.00 H new ATOM 1250 N ASP A 82 12.278 12.807 -5.206 1.00 0.00 N ATOM 1251 CA ASP A 82 12.505 13.245 -6.573 1.00 0.00 C ATOM 1252 C ASP A 82 11.981 14.673 -6.739 1.00 0.00 C ATOM 1253 O ASP A 82 12.679 15.536 -7.271 1.00 0.00 O ATOM 1254 CB ASP A 82 11.763 12.351 -7.568 1.00 0.00 C ATOM 1255 CG ASP A 82 12.661 11.474 -8.443 1.00 0.00 C ATOM 1256 OD1 ASP A 82 13.562 10.829 -7.864 1.00 0.00 O ATOM 1257 OD2 ASP A 82 12.426 11.468 -9.671 1.00 0.00 O ATOM 0 H ASP A 82 11.666 11.996 -5.114 1.00 0.00 H new ATOM 0 HA ASP A 82 13.576 13.193 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 82 11.079 11.707 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 82 11.154 12.981 -8.216 1.00 0.00 H new ATOM 1262 N THR A 83 10.758 14.879 -6.274 1.00 0.00 N ATOM 1263 CA THR A 83 10.133 16.188 -6.364 1.00 0.00 C ATOM 1264 C THR A 83 9.820 16.727 -4.967 1.00 0.00 C ATOM 1265 O THR A 83 9.349 17.854 -4.824 1.00 0.00 O ATOM 1266 CB THR A 83 8.897 16.061 -7.257 1.00 0.00 C ATOM 1267 OG1 THR A 83 8.098 15.076 -6.607 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.219 15.439 -8.618 1.00 0.00 C ATOM 0 H THR A 83 10.183 14.161 -5.833 1.00 0.00 H new ATOM 0 HA THR A 83 10.805 16.917 -6.816 1.00 0.00 H new ATOM 0 HB THR A 83 8.453 17.046 -7.403 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.275 14.933 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.308 15.372 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.947 16.061 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.632 14.441 -8.473 1.00 0.00 H new ATOM 1276 N GLN A 84 10.095 15.896 -3.972 1.00 0.00 N ATOM 1277 CA GLN A 84 9.848 16.276 -2.591 1.00 0.00 C ATOM 1278 C GLN A 84 8.398 16.730 -2.416 1.00 0.00 C ATOM 1279 O GLN A 84 8.143 17.875 -2.047 1.00 0.00 O ATOM 1280 CB GLN A 84 10.823 17.366 -2.140 1.00 0.00 C ATOM 1281 CG GLN A 84 12.182 16.768 -1.772 1.00 0.00 C ATOM 1282 CD GLN A 84 12.428 16.852 -0.264 1.00 0.00 C ATOM 1283 OE1 GLN A 84 12.086 17.821 0.393 1.00 0.00 O ATOM 1284 NE2 GLN A 84 13.039 15.786 0.244 1.00 0.00 N ATOM 0 H GLN A 84 10.486 14.962 -4.094 1.00 0.00 H new ATOM 0 HA GLN A 84 10.013 15.403 -1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.948 18.099 -2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.410 17.896 -1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.224 15.727 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.972 17.298 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.298 15.009 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.249 15.745 1.241 1.00 0.00 H new ATOM 1293 N THR A 85 7.486 15.809 -2.689 1.00 0.00 N ATOM 1294 CA THR A 85 6.068 16.100 -2.566 1.00 0.00 C ATOM 1295 C THR A 85 5.281 14.816 -2.295 1.00 0.00 C ATOM 1296 O THR A 85 5.801 13.716 -2.473 1.00 0.00 O ATOM 1297 CB THR A 85 5.623 16.828 -3.836 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.464 17.552 -3.433 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.108 15.869 -4.911 1.00 0.00 C ATOM 0 H THR A 85 7.702 14.860 -2.995 1.00 0.00 H new ATOM 0 HA THR A 85 5.871 16.751 -1.714 1.00 0.00 H new ATOM 0 HB THR A 85 6.457 17.405 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.111 18.055 -4.196 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.805 16.437 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.899 15.171 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.252 15.315 -4.525 1.00 0.00 H new ATOM 1307 N TYR A 86 4.040 15.000 -1.868 1.00 0.00 N ATOM 1308 CA TYR A 86 3.176 13.870 -1.571 1.00 0.00 C ATOM 1309 C TYR A 86 2.136 13.669 -2.674 1.00 0.00 C ATOM 1310 O TYR A 86 1.258 14.510 -2.865 1.00 0.00 O ATOM 1311 CB TYR A 86 2.458 14.220 -0.266 1.00 0.00 C ATOM 1312 CG TYR A 86 1.395 15.311 -0.415 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.763 16.640 -0.402 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.067 14.964 -0.562 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.763 17.666 -0.542 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.934 15.990 -0.702 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.537 17.291 -0.685 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.482 18.260 -0.817 1.00 0.00 O ATOM 0 H TYR A 86 3.613 15.914 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 86 3.758 12.952 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.988 13.320 0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.196 14.544 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.802 16.911 -0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.221 13.923 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.039 18.710 -0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.976 15.732 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.365 17.845 -0.912 1.00 0.00 H new ATOM 1328 N GLN A 87 2.268 12.551 -3.373 1.00 0.00 N ATOM 1329 CA GLN A 87 1.350 12.230 -4.452 1.00 0.00 C ATOM 1330 C GLN A 87 0.097 11.549 -3.898 1.00 0.00 C ATOM 1331 O GLN A 87 0.168 10.433 -3.385 1.00 0.00 O ATOM 1332 CB GLN A 87 2.030 11.354 -5.507 1.00 0.00 C ATOM 1333 CG GLN A 87 1.620 11.779 -6.919 1.00 0.00 C ATOM 1334 CD GLN A 87 0.660 10.763 -7.540 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.969 10.091 -8.511 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -0.519 10.689 -6.929 1.00 0.00 N ATOM 0 H GLN A 87 2.997 11.856 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 87 1.050 13.159 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.113 11.426 -5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.762 10.310 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.145 12.759 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.507 11.877 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.713 11.280 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.230 10.041 -7.269 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.051 12.267 -4.025 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.318 11.743 -3.543 1.00 0.00 C ATOM 1347 C PRO A 88 -2.853 10.657 -4.478 1.00 0.00 C ATOM 1348 O PRO A 88 -2.901 10.847 -5.692 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.234 12.953 -3.451 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.597 14.025 -4.320 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.173 13.591 -4.627 1.00 0.00 C ATOM 0 HA PRO A 88 -2.230 11.253 -2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.237 12.711 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.330 13.292 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.163 14.155 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.601 14.986 -3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.993 13.556 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.447 14.286 -4.205 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.242 9.543 -3.876 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.773 8.426 -4.640 1.00 0.00 C ATOM 1361 C TYR A 89 -5.095 7.935 -4.047 1.00 0.00 C ATOM 1362 O TYR A 89 -5.199 7.731 -2.838 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.733 7.309 -4.532 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.390 7.644 -5.185 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.293 7.728 -6.559 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.276 7.863 -4.400 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.029 8.044 -7.174 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.987 8.178 -5.014 1.00 0.00 C ATOM 1369 CZ TYR A 89 1.048 8.253 -6.371 1.00 0.00 C ATOM 1370 OH TYR A 89 2.242 8.551 -6.951 1.00 0.00 O ATOM 0 H TYR A 89 -3.200 9.389 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.963 8.722 -5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.567 7.082 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.135 6.407 -4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.165 7.557 -7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.352 7.798 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.061 8.113 -8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.866 8.351 -4.411 1.00 0.00 H new ATOM 0 HH TYR A 89 2.091 8.866 -7.867 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.071 7.758 -4.924 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.382 7.295 -4.503 1.00 0.00 C ATOM 1382 C ASN A 90 -7.274 5.848 -4.015 1.00 0.00 C ATOM 1383 O ASN A 90 -6.210 5.238 -4.103 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.378 7.329 -5.663 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.670 8.042 -5.256 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -9.813 8.540 -4.152 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.599 8.061 -6.207 1.00 0.00 N ATOM 0 H ASN A 90 -5.980 7.927 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.733 7.953 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.931 7.839 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.605 6.312 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.497 8.512 -6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.413 7.624 -7.110 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.390 5.342 -3.512 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.435 3.979 -3.010 1.00 0.00 C ATOM 1396 C LYS A 91 -8.117 3.010 -4.151 1.00 0.00 C ATOM 1397 O LYS A 91 -7.398 2.031 -3.956 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.774 3.704 -2.324 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.917 3.685 -3.342 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.234 4.119 -2.695 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.337 3.091 -2.955 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.931 3.297 -4.295 1.00 0.00 N ATOM 0 H LYS A 91 -9.271 5.852 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.675 3.830 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.730 2.748 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.965 4.469 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.680 4.349 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.024 2.682 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.093 4.242 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.535 5.089 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.928 2.083 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.110 3.177 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.678 2.591 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.339 4.252 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.194 3.193 -5.021 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.668 3.317 -5.316 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.452 2.485 -6.488 1.00 0.00 C ATOM 1418 C ASP A 92 -6.954 2.221 -6.652 1.00 0.00 C ATOM 1419 O ASP A 92 -6.539 1.081 -6.854 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.951 3.181 -7.756 1.00 0.00 C ATOM 1421 CG ASP A 92 -10.046 2.430 -8.517 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -9.678 1.521 -9.291 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -11.227 2.782 -8.306 1.00 0.00 O ATOM 0 H ASP A 92 -9.263 4.130 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.001 1.554 -6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.328 4.168 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.104 3.335 -8.425 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.183 3.295 -6.559 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.740 3.193 -6.694 1.00 0.00 C ATOM 1430 C TRP A 93 -4.251 2.101 -5.741 1.00 0.00 C ATOM 1431 O TRP A 93 -3.455 1.246 -6.126 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.070 4.547 -6.448 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.558 4.545 -6.686 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.908 4.522 -7.857 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.528 4.569 -5.675 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.540 4.529 -7.676 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.302 4.559 -6.307 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.630 4.599 -4.273 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.916 4.577 -5.617 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.404 4.616 -3.598 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.840 4.606 -4.220 1.00 0.00 C ATOM 0 H TRP A 93 -6.530 4.239 -6.392 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.466 2.913 -7.711 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.529 5.292 -7.098 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.266 4.857 -5.421 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.394 4.501 -8.821 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.167 4.515 -8.412 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.579 4.608 -3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.864 4.569 -6.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.425 4.638 -2.518 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.743 4.621 -3.628 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.747 2.166 -4.514 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.371 1.193 -3.502 1.00 0.00 C ATOM 1454 C ILE A 94 -4.919 -0.181 -3.893 1.00 0.00 C ATOM 1455 O ILE A 94 -4.170 -1.154 -3.965 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.817 1.662 -2.116 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.194 3.015 -1.767 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.515 0.601 -1.055 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.256 3.994 -1.261 1.00 0.00 C ATOM 0 H ILE A 94 -5.406 2.877 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.286 1.100 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.898 1.801 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.426 2.880 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.701 3.430 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.842 0.959 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.045 -0.319 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.443 0.407 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.786 4.948 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.009 4.145 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.730 3.587 -0.368 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.221 -0.216 -4.135 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.878 -1.455 -4.516 1.00 0.00 C ATOM 1473 C LYS A 95 -5.969 -2.237 -5.466 1.00 0.00 C ATOM 1474 O LYS A 95 -5.963 -3.468 -5.453 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.267 -1.170 -5.091 1.00 0.00 C ATOM 1476 CG LYS A 95 -9.175 -0.532 -4.038 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.648 -0.813 -4.341 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.938 -0.664 -5.836 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.345 -1.017 -6.129 1.00 0.00 N ATOM 0 H LYS A 95 -6.839 0.593 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.043 -2.084 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.179 -0.506 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.714 -2.098 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.922 -0.921 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.005 0.544 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.904 -1.821 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.277 -0.126 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.741 0.361 -6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.269 -1.307 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.525 -0.910 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.522 -2.003 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.979 -0.386 -5.598 1.00 0.00 H new ATOM 1493 N GLU A 96 -5.221 -1.492 -6.267 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.310 -2.101 -7.221 1.00 0.00 C ATOM 1495 C GLU A 96 -3.022 -2.539 -6.521 1.00 0.00 C ATOM 1496 O GLU A 96 -2.638 -3.705 -6.593 1.00 0.00 O ATOM 1497 CB GLU A 96 -4.008 -1.146 -8.378 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.298 -0.690 -9.064 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.743 -1.702 -10.121 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -6.232 -2.776 -9.709 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -5.584 -1.379 -11.318 1.00 0.00 O ATOM 0 H GLU A 96 -5.227 -0.472 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.791 -2.985 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.464 -0.278 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.362 -1.640 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.085 -0.565 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.142 0.283 -9.530 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.391 -1.580 -5.859 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.155 -1.851 -5.146 1.00 0.00 C ATOM 1510 C LYS A 97 -1.352 -3.066 -4.237 1.00 0.00 C ATOM 1511 O LYS A 97 -0.646 -4.065 -4.368 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.677 -0.600 -4.407 1.00 0.00 C ATOM 1513 CG LYS A 97 0.636 -0.082 -4.997 1.00 0.00 C ATOM 1514 CD LYS A 97 0.482 0.229 -6.487 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.007 1.663 -6.700 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.044 2.020 -8.136 1.00 0.00 N ATOM 0 H LYS A 97 -2.713 -0.614 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.358 -2.102 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.439 0.177 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.540 -0.828 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.949 0.816 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.421 -0.825 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.437 0.088 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.223 -0.470 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.027 1.764 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.611 2.353 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.474 2.908 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.035 2.141 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.393 1.262 -8.698 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.314 -2.940 -3.335 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.612 -4.014 -2.404 1.00 0.00 C ATOM 1532 C ILE A 98 -2.506 -5.357 -3.130 1.00 0.00 C ATOM 1533 O ILE A 98 -1.721 -6.218 -2.739 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.969 -3.783 -1.735 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.253 -4.858 -0.684 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -5.085 -3.691 -2.777 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.463 -4.480 0.173 1.00 0.00 C ATOM 0 H ILE A 98 -2.897 -2.110 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.882 -4.029 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.935 -2.826 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.435 -5.813 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.378 -4.989 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.039 -3.527 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.883 -2.861 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.129 -4.620 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.644 -5.261 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.268 -3.536 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.341 -4.373 -0.464 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.309 -5.493 -4.176 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.315 -6.715 -4.961 1.00 0.00 C ATOM 1551 C TYR A 99 -1.903 -7.073 -5.430 1.00 0.00 C ATOM 1552 O TYR A 99 -1.448 -8.199 -5.235 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.188 -6.427 -6.183 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.040 -7.453 -7.309 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -2.967 -7.378 -8.174 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -4.980 -8.452 -7.460 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -2.828 -8.343 -9.234 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -4.840 -9.417 -8.520 1.00 0.00 C ATOM 1559 CZ TYR A 99 -3.771 -9.315 -9.354 1.00 0.00 C ATOM 1560 OH TYR A 99 -3.639 -10.226 -10.355 1.00 0.00 O ATOM 0 H TYR A 99 -3.960 -4.776 -4.498 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.688 -7.550 -4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.232 -6.393 -5.871 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.939 -5.439 -6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.232 -6.596 -8.056 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -5.820 -8.510 -6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.994 -8.296 -9.918 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.568 -10.204 -8.650 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.384 -10.862 -10.319 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.251 -6.094 -6.038 1.00 0.00 N ATOM 1571 CA VAL A 100 0.100 -6.291 -6.536 1.00 0.00 C ATOM 1572 C VAL A 100 1.026 -6.629 -5.366 1.00 0.00 C ATOM 1573 O VAL A 100 2.068 -7.254 -5.555 1.00 0.00 O ATOM 1574 CB VAL A 100 0.553 -5.059 -7.321 1.00 0.00 C ATOM 1575 CG1 VAL A 100 1.979 -5.238 -7.848 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.417 -4.748 -8.462 1.00 0.00 C ATOM 0 H VAL A 100 -1.633 -5.162 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 100 0.133 -7.131 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 100 0.552 -4.209 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.276 -4.348 -8.402 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.660 -5.388 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.017 -6.105 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.071 -3.868 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.463 -5.598 -9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.409 -4.556 -8.054 1.00 0.00 H new ATOM 1586 N LEU A 101 0.613 -6.200 -4.183 1.00 0.00 N ATOM 1587 CA LEU A 101 1.392 -6.449 -2.982 1.00 0.00 C ATOM 1588 C LEU A 101 1.248 -7.919 -2.581 1.00 0.00 C ATOM 1589 O LEU A 101 2.174 -8.509 -2.028 1.00 0.00 O ATOM 1590 CB LEU A 101 1.000 -5.468 -1.875 1.00 0.00 C ATOM 1591 CG LEU A 101 0.991 -6.031 -0.453 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.149 -5.461 0.370 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.362 -5.795 0.222 1.00 0.00 C ATOM 0 H LEU A 101 -0.252 -5.681 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 101 2.451 -6.272 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.688 -4.623 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.006 -5.079 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 101 1.138 -7.109 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.119 -5.877 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.095 -5.723 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.058 -4.376 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.341 -6.205 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.563 -4.725 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.146 -6.287 -0.353 1.00 0.00 H new ATOM 1605 N LEU A 102 0.078 -8.467 -2.876 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.200 -9.856 -2.553 1.00 0.00 C ATOM 1607 C LEU A 102 0.464 -10.760 -3.594 1.00 0.00 C ATOM 1608 O LEU A 102 0.902 -11.864 -3.274 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.706 -10.083 -2.413 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.365 -9.467 -1.176 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.312 -8.928 -0.205 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.380 -8.394 -1.573 1.00 0.00 C ATOM 0 H LEU A 102 -0.688 -7.974 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 102 0.229 -10.115 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.198 -9.683 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.892 -11.157 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.913 -10.252 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.807 -8.496 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.661 -9.742 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.717 -8.162 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.834 -7.973 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.876 -7.604 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.155 -8.839 -2.197 1.00 0.00 H new ATOM 1624 N ARG A 103 0.516 -10.258 -4.819 1.00 0.00 N ATOM 1625 CA ARG A 103 1.119 -11.006 -5.910 1.00 0.00 C ATOM 1626 C ARG A 103 2.540 -11.434 -5.538 1.00 0.00 C ATOM 1627 O ARG A 103 2.882 -12.612 -5.631 1.00 0.00 O ATOM 1628 CB ARG A 103 1.163 -10.172 -7.192 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.248 -9.812 -7.661 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.187 -11.015 -7.547 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.524 -12.227 -8.078 1.00 0.00 N ATOM 1632 CZ ARG A 103 -0.994 -13.471 -7.921 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.134 -13.676 -7.246 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -0.326 -14.511 -8.437 1.00 0.00 N ATOM 0 H ARG A 103 0.151 -9.342 -5.081 1.00 0.00 H new ATOM 0 HA ARG A 103 0.505 -11.889 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.736 -9.261 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.679 -10.728 -7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.634 -8.987 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.215 -9.469 -8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.467 -11.171 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.107 -10.822 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 103 0.346 -12.107 -8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.643 -12.885 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.492 -14.623 -7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.542 -14.356 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.685 -15.458 -8.317 1.00 0.00 H new ATOM 1648 N ARG A 104 3.330 -10.453 -5.125 1.00 0.00 N ATOM 1649 CA ARG A 104 4.706 -10.714 -4.739 1.00 0.00 C ATOM 1650 C ARG A 104 4.750 -11.509 -3.433 1.00 0.00 C ATOM 1651 O ARG A 104 5.463 -12.507 -3.333 1.00 0.00 O ATOM 1652 CB ARG A 104 5.484 -9.408 -4.560 1.00 0.00 C ATOM 1653 CG ARG A 104 4.880 -8.560 -3.439 1.00 0.00 C ATOM 1654 CD ARG A 104 5.380 -7.116 -3.515 1.00 0.00 C ATOM 1655 NE ARG A 104 6.751 -7.024 -2.965 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.615 -6.044 -3.260 1.00 0.00 C ATOM 1657 NH1 ARG A 104 7.255 -5.064 -4.102 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.838 -6.042 -2.714 1.00 0.00 N ATOM 0 H ARG A 104 3.043 -9.477 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 104 5.170 -11.294 -5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.527 -9.630 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.475 -8.844 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.793 -8.577 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.142 -8.989 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.371 -6.774 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.711 -6.461 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 104 7.057 -7.753 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.323 -5.065 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.913 -4.318 -4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.112 -6.787 -2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.496 -5.296 -2.939 1.00 0.00 H new ATOM 1672 N GLN A 105 3.979 -11.038 -2.464 1.00 0.00 N ATOM 1673 CA GLN A 105 3.921 -11.692 -1.169 1.00 0.00 C ATOM 1674 C GLN A 105 3.760 -13.204 -1.344 1.00 0.00 C ATOM 1675 O GLN A 105 4.379 -13.985 -0.624 1.00 0.00 O ATOM 1676 CB GLN A 105 2.790 -11.116 -0.313 1.00 0.00 C ATOM 1677 CG GLN A 105 3.276 -9.917 0.503 1.00 0.00 C ATOM 1678 CD GLN A 105 2.810 -10.018 1.956 1.00 0.00 C ATOM 1679 OE1 GLN A 105 2.854 -11.067 2.578 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.362 -8.872 2.461 1.00 0.00 N ATOM 0 H GLN A 105 3.389 -10.210 -2.550 1.00 0.00 H new ATOM 0 HA GLN A 105 4.859 -11.504 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.962 -10.813 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.408 -11.886 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.364 -9.867 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.900 -8.995 0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.353 -8.030 1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.028 -8.835 3.424 1.00 0.00 H new