USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 TYR OH : rot 168:sc= -2.37! USER MOD Set 1.2: A 84 GLN : amide:sc= -0.198 K(o=-2.6,f=-3.2) USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= -1.15 USER MOD Set 2.2: A 63 GLN : amide:sc= 0.168 K(o=-0.98,f=-1.6) USER MOD Set 3.1: A 40 CYS SG : rot -12:sc= -2.82! USER MOD Set 3.2: A 59 TYR OH : rot 154:sc= -0.83 USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 33 ASN : amide:sc= -5.05! C(o=-5!,f=-4.9!) USER MOD Single : A 11 THR OG1 : rot 34:sc= -3.79! USER MOD Single : A 16 GLN : amide:sc= -2.96! K(o=-3!,f=-1.3) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -17:sc= -2.47 USER MOD Single : A 36 MET CE :methyl -123:sc= -3.99 (180deg=-9.94!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 144:sc= -3.3! (180deg=-6.17!) USER MOD Single : A 46 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.15) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -141:sc= -0.445 (180deg=-1.88!) USER MOD Single : A 51 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.35) USER MOD Single : A 53 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.23) USER MOD Single : A 54 SER OG : rot -139:sc= -0.607 USER MOD Single : A 56 SER OG : rot -21:sc= 0.568 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 75 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 76 CYS SG : rot 159:sc= -5.25! USER MOD Single : A 83 THR OG1 : rot -73:sc= -3.71! USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.028) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0126) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -136:sc= -0.301! (180deg=-1.66!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.535 6.931 3.251 1.00 0.00 N ATOM 121 CA THR A 11 4.173 6.870 2.749 1.00 0.00 C ATOM 122 C THR A 11 3.174 7.086 3.888 1.00 0.00 C ATOM 123 O THR A 11 3.436 6.705 5.028 1.00 0.00 O ATOM 124 CB THR A 11 3.994 5.532 2.029 1.00 0.00 C ATOM 125 OG1 THR A 11 4.701 5.700 0.803 1.00 0.00 O ATOM 126 CG2 THR A 11 2.547 5.290 1.594 1.00 0.00 C ATOM 0 HA THR A 11 3.979 7.669 2.033 1.00 0.00 H new ATOM 0 HB THR A 11 4.317 4.722 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.476 6.282 0.949 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.475 4.327 1.088 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.899 5.289 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.235 6.082 0.913 1.00 0.00 H new ATOM 134 N ILE A 12 2.051 7.696 3.540 1.00 0.00 N ATOM 135 CA ILE A 12 1.012 7.966 4.519 1.00 0.00 C ATOM 136 C ILE A 12 -0.214 7.106 4.206 1.00 0.00 C ATOM 137 O ILE A 12 -0.704 7.104 3.078 1.00 0.00 O ATOM 138 CB ILE A 12 0.711 9.465 4.580 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.998 10.276 4.749 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.309 9.775 5.677 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.786 11.734 4.335 1.00 0.00 C ATOM 0 H ILE A 12 1.838 8.011 2.594 1.00 0.00 H new ATOM 0 HA ILE A 12 1.349 7.690 5.518 1.00 0.00 H new ATOM 0 HB ILE A 12 0.264 9.763 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.325 10.233 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.792 9.835 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.505 10.847 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.237 9.240 5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.087 9.459 6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.716 12.288 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.482 11.775 3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.009 12.179 4.956 1.00 0.00 H new ATOM 153 N LEU A 13 -0.674 6.395 5.225 1.00 0.00 N ATOM 154 CA LEU A 13 -1.833 5.532 5.073 1.00 0.00 C ATOM 155 C LEU A 13 -2.936 5.995 6.028 1.00 0.00 C ATOM 156 O LEU A 13 -2.721 6.081 7.236 1.00 0.00 O ATOM 157 CB LEU A 13 -1.437 4.066 5.255 1.00 0.00 C ATOM 158 CG LEU A 13 -2.448 3.031 4.755 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.398 2.607 5.877 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.203 3.550 3.530 1.00 0.00 C ATOM 0 H LEU A 13 -0.265 6.399 6.159 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.234 5.606 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.491 3.899 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.258 3.887 6.315 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.901 2.141 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.106 1.871 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.824 2.169 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.942 3.478 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.915 2.796 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.738 4.463 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.495 3.762 2.729 1.00 0.00 H new ATOM 172 N LEU A 14 -4.094 6.279 5.450 1.00 0.00 N ATOM 173 CA LEU A 14 -5.231 6.731 6.234 1.00 0.00 C ATOM 174 C LEU A 14 -6.468 5.919 5.844 1.00 0.00 C ATOM 175 O LEU A 14 -6.386 5.015 5.014 1.00 0.00 O ATOM 176 CB LEU A 14 -5.416 8.242 6.089 1.00 0.00 C ATOM 177 CG LEU A 14 -4.687 8.898 4.914 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.174 8.900 5.139 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.069 8.230 3.591 1.00 0.00 C ATOM 0 H LEU A 14 -4.269 6.205 4.448 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.056 6.556 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.482 8.450 5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.081 8.719 7.010 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.004 9.939 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.680 9.372 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.942 9.455 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.820 7.874 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.538 8.715 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.799 7.175 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.143 8.324 3.433 1.00 0.00 H new ATOM 191 N VAL A 15 -7.586 6.272 6.461 1.00 0.00 N ATOM 192 CA VAL A 15 -8.839 5.588 6.188 1.00 0.00 C ATOM 193 C VAL A 15 -10.005 6.544 6.451 1.00 0.00 C ATOM 194 O VAL A 15 -9.978 7.312 7.411 1.00 0.00 O ATOM 195 CB VAL A 15 -8.923 4.302 7.013 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.360 4.033 7.464 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.361 3.112 6.232 1.00 0.00 C ATOM 0 H VAL A 15 -7.651 7.022 7.149 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.892 5.291 5.141 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.312 4.436 7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.392 3.113 8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.711 4.864 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.002 3.930 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.433 2.211 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.933 2.976 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.316 3.300 5.984 1.00 0.00 H new ATOM 207 N GLN A 16 -11.001 6.465 5.581 1.00 0.00 N ATOM 208 CA GLN A 16 -12.173 7.313 5.707 1.00 0.00 C ATOM 209 C GLN A 16 -13.438 6.527 5.353 1.00 0.00 C ATOM 210 O GLN A 16 -13.797 6.416 4.182 1.00 0.00 O ATOM 211 CB GLN A 16 -12.043 8.562 4.833 1.00 0.00 C ATOM 212 CG GLN A 16 -13.292 9.439 4.939 1.00 0.00 C ATOM 213 CD GLN A 16 -13.418 10.049 6.336 1.00 0.00 C ATOM 214 OE1 GLN A 16 -12.783 11.036 6.670 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.270 9.408 7.131 1.00 0.00 N ATOM 0 H GLN A 16 -11.020 5.826 4.786 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.250 7.641 6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.166 9.134 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.887 8.269 3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.247 10.234 4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.178 8.844 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.769 8.588 6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.424 9.737 8.084 1.00 0.00 H new ATOM 224 N PRO A 17 -14.095 5.988 6.415 1.00 0.00 N ATOM 225 CA PRO A 17 -15.311 5.215 6.229 1.00 0.00 C ATOM 226 C PRO A 17 -16.498 6.128 5.914 1.00 0.00 C ATOM 227 O PRO A 17 -17.250 5.873 4.975 1.00 0.00 O ATOM 228 CB PRO A 17 -15.486 4.439 7.524 1.00 0.00 C ATOM 229 CG PRO A 17 -14.628 5.152 8.556 1.00 0.00 C ATOM 230 CD PRO A 17 -13.698 6.099 7.816 1.00 0.00 C ATOM 0 HA PRO A 17 -15.252 4.536 5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.532 4.421 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.172 3.402 7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.254 5.703 9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.054 4.431 9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.804 7.122 8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.654 5.818 7.955 1.00 0.00 H new ATOM 238 N THR A 18 -16.628 7.174 6.717 1.00 0.00 N ATOM 239 CA THR A 18 -17.710 8.127 6.536 1.00 0.00 C ATOM 240 C THR A 18 -17.156 9.491 6.123 1.00 0.00 C ATOM 241 O THR A 18 -16.122 9.571 5.461 1.00 0.00 O ATOM 242 CB THR A 18 -18.525 8.168 7.830 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.644 8.767 8.776 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.792 6.773 8.399 1.00 0.00 C ATOM 0 H THR A 18 -16.002 7.382 7.495 1.00 0.00 H new ATOM 0 HA THR A 18 -18.374 7.823 5.727 1.00 0.00 H new ATOM 0 HB THR A 18 -19.474 8.671 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.093 8.834 9.644 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.374 6.860 9.317 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.349 6.183 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.844 6.281 8.616 1.00 0.00 H new ATOM 252 N LYS A 19 -17.869 10.532 6.530 1.00 0.00 N ATOM 253 CA LYS A 19 -17.461 11.889 6.211 1.00 0.00 C ATOM 254 C LYS A 19 -16.981 12.586 7.486 1.00 0.00 C ATOM 255 O LYS A 19 -16.072 13.413 7.441 1.00 0.00 O ATOM 256 CB LYS A 19 -18.588 12.632 5.491 1.00 0.00 C ATOM 257 CG LYS A 19 -18.432 12.526 3.972 1.00 0.00 C ATOM 258 CD LYS A 19 -19.524 11.641 3.369 1.00 0.00 C ATOM 259 CE LYS A 19 -19.005 10.890 2.142 1.00 0.00 C ATOM 260 NZ LYS A 19 -19.667 11.384 0.913 1.00 0.00 N ATOM 0 H LYS A 19 -18.727 10.462 7.078 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.621 11.881 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.551 12.218 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.585 13.681 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.478 13.520 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.452 12.115 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.873 10.928 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.381 12.254 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.926 11.020 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.189 9.822 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.303 10.863 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.694 11.238 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.470 12.398 0.796 1.00 0.00 H new ATOM 274 N ARG A 20 -17.615 12.227 8.592 1.00 0.00 N ATOM 275 CA ARG A 20 -17.264 12.808 9.877 1.00 0.00 C ATOM 276 C ARG A 20 -15.831 12.429 10.258 1.00 0.00 C ATOM 277 O ARG A 20 -15.321 11.398 9.822 1.00 0.00 O ATOM 278 CB ARG A 20 -18.218 12.333 10.975 1.00 0.00 C ATOM 279 CG ARG A 20 -19.575 13.030 10.862 1.00 0.00 C ATOM 280 CD ARG A 20 -19.422 14.549 10.970 1.00 0.00 C ATOM 281 NE ARG A 20 -20.480 15.103 11.844 1.00 0.00 N ATOM 282 CZ ARG A 20 -20.516 16.374 12.266 1.00 0.00 C ATOM 283 NH1 ARG A 20 -19.553 17.230 11.897 1.00 0.00 N ATOM 284 NH2 ARG A 20 -21.515 16.790 13.057 1.00 0.00 N ATOM 0 H ARG A 20 -18.369 11.541 8.625 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.345 13.891 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.352 11.254 10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.782 12.535 11.953 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.041 12.775 9.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.239 12.671 11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.440 14.796 11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.483 15.000 9.980 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.228 14.478 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.793 16.914 11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.580 18.198 12.218 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.248 16.139 13.338 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.542 17.758 13.378 1.00 0.00 H new ATOM 298 N PRO A 21 -15.206 13.306 11.088 1.00 0.00 N ATOM 299 CA PRO A 21 -13.842 13.074 11.532 1.00 0.00 C ATOM 300 C PRO A 21 -13.791 11.976 12.597 1.00 0.00 C ATOM 301 O PRO A 21 -12.712 11.567 13.020 1.00 0.00 O ATOM 302 CB PRO A 21 -13.361 14.422 12.045 1.00 0.00 C ATOM 303 CG PRO A 21 -14.615 15.242 12.301 1.00 0.00 C ATOM 304 CD PRO A 21 -15.779 14.537 11.625 1.00 0.00 C ATOM 0 HA PRO A 21 -13.195 12.713 10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.777 14.307 12.958 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.717 14.911 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.796 15.338 13.372 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.498 16.251 11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.579 14.325 12.334 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.209 15.152 10.834 1.00 0.00 H new ATOM 312 N GLU A 22 -14.973 11.531 12.999 1.00 0.00 N ATOM 313 CA GLU A 22 -15.076 10.489 14.006 1.00 0.00 C ATOM 314 C GLU A 22 -14.973 9.108 13.353 1.00 0.00 C ATOM 315 O GLU A 22 -15.958 8.591 12.828 1.00 0.00 O ATOM 316 CB GLU A 22 -16.376 10.623 14.802 1.00 0.00 C ATOM 317 CG GLU A 22 -16.103 11.150 16.212 1.00 0.00 C ATOM 318 CD GLU A 22 -16.175 10.021 17.243 1.00 0.00 C ATOM 319 OE1 GLU A 22 -17.177 9.275 17.198 1.00 0.00 O ATOM 320 OE2 GLU A 22 -15.226 9.930 18.052 1.00 0.00 O ATOM 0 H GLU A 22 -15.867 11.873 12.646 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.247 10.602 14.705 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.057 11.298 14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.872 9.654 14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.118 11.616 16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.830 11.923 16.462 1.00 0.00 H new ATOM 327 N GLY A 23 -13.772 8.551 13.409 1.00 0.00 N ATOM 328 CA GLY A 23 -13.528 7.241 12.830 1.00 0.00 C ATOM 329 C GLY A 23 -12.514 7.327 11.687 1.00 0.00 C ATOM 330 O GLY A 23 -12.601 6.576 10.717 1.00 0.00 O ATOM 0 H GLY A 23 -12.958 8.983 13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.158 6.563 13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.464 6.823 12.460 1.00 0.00 H new ATOM 334 N ARG A 24 -11.575 8.250 11.840 1.00 0.00 N ATOM 335 CA ARG A 24 -10.545 8.444 10.834 1.00 0.00 C ATOM 336 C ARG A 24 -9.176 8.604 11.498 1.00 0.00 C ATOM 337 O ARG A 24 -9.085 9.057 12.638 1.00 0.00 O ATOM 338 CB ARG A 24 -10.837 9.678 9.978 1.00 0.00 C ATOM 339 CG ARG A 24 -10.856 10.946 10.834 1.00 0.00 C ATOM 340 CD ARG A 24 -9.524 11.692 10.741 1.00 0.00 C ATOM 341 NE ARG A 24 -9.751 13.150 10.842 1.00 0.00 N ATOM 342 CZ ARG A 24 -8.789 14.045 11.105 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.528 13.635 11.296 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.088 15.349 11.178 1.00 0.00 N ATOM 0 H ARG A 24 -11.506 8.872 12.646 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.539 7.563 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.081 9.772 9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.798 9.559 9.477 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.665 11.598 10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.058 10.685 11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.858 11.364 11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.032 11.457 9.797 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.700 13.496 10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.301 12.642 11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.795 14.316 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.048 15.661 11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.355 16.030 11.378 1.00 0.00 H new ATOM 358 N THR A 25 -8.146 8.222 10.757 1.00 0.00 N ATOM 359 CA THR A 25 -6.786 8.318 11.261 1.00 0.00 C ATOM 360 C THR A 25 -5.782 8.054 10.137 1.00 0.00 C ATOM 361 O THR A 25 -6.135 7.483 9.106 1.00 0.00 O ATOM 362 CB THR A 25 -6.649 7.351 12.438 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.321 7.563 12.908 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.659 5.886 11.997 1.00 0.00 C ATOM 0 H THR A 25 -8.226 7.846 9.812 1.00 0.00 H new ATOM 0 HA THR A 25 -6.567 9.323 11.621 1.00 0.00 H new ATOM 0 HB THR A 25 -7.461 7.522 13.145 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.147 6.976 13.674 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.559 5.242 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.598 5.665 11.489 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.827 5.705 11.316 1.00 0.00 H new ATOM 372 N TYR A 26 -4.551 8.482 10.374 1.00 0.00 N ATOM 373 CA TYR A 26 -3.493 8.298 9.395 1.00 0.00 C ATOM 374 C TYR A 26 -2.356 7.450 9.969 1.00 0.00 C ATOM 375 O TYR A 26 -2.354 7.130 11.156 1.00 0.00 O ATOM 376 CB TYR A 26 -2.961 9.698 9.082 1.00 0.00 C ATOM 377 CG TYR A 26 -3.918 10.557 8.253 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.173 10.859 8.741 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.527 11.029 7.017 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.074 11.667 7.960 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.428 11.836 6.236 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.657 12.116 6.746 1.00 0.00 C ATOM 383 OH TYR A 26 -6.508 12.879 6.009 1.00 0.00 O ATOM 0 H TYR A 26 -4.262 8.956 11.230 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.873 7.787 8.510 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.747 10.212 10.019 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.016 9.605 8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.480 10.490 9.708 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.545 10.793 6.635 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.059 11.911 8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.134 12.211 5.267 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.076 13.129 5.166 1.00 0.00 H new ATOM 393 N ALA A 27 -1.417 7.111 9.098 1.00 0.00 N ATOM 394 CA ALA A 27 -0.277 6.306 9.503 1.00 0.00 C ATOM 395 C ALA A 27 0.916 6.629 8.601 1.00 0.00 C ATOM 396 O ALA A 27 0.785 7.384 7.639 1.00 0.00 O ATOM 397 CB ALA A 27 -0.656 4.825 9.460 1.00 0.00 C ATOM 0 H ALA A 27 -1.422 7.379 8.114 1.00 0.00 H new ATOM 0 HA ALA A 27 0.012 6.539 10.528 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.199 4.222 9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.488 4.643 10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.949 4.554 8.446 1.00 0.00 H new ATOM 403 N ASP A 28 2.053 6.041 8.944 1.00 0.00 N ATOM 404 CA ASP A 28 3.268 6.257 8.177 1.00 0.00 C ATOM 405 C ASP A 28 4.200 5.057 8.359 1.00 0.00 C ATOM 406 O ASP A 28 4.599 4.741 9.479 1.00 0.00 O ATOM 407 CB ASP A 28 4.007 7.507 8.657 1.00 0.00 C ATOM 408 CG ASP A 28 4.129 7.644 10.176 1.00 0.00 C ATOM 409 OD1 ASP A 28 5.036 6.990 10.734 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.311 8.399 10.745 1.00 0.00 O ATOM 0 H ASP A 28 2.158 5.415 9.743 1.00 0.00 H new ATOM 0 HA ASP A 28 2.989 6.383 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.008 7.507 8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.493 8.386 8.268 1.00 0.00 H new ATOM 415 N TYR A 29 4.521 4.422 7.241 1.00 0.00 N ATOM 416 CA TYR A 29 5.399 3.265 7.263 1.00 0.00 C ATOM 417 C TYR A 29 6.705 3.553 6.520 1.00 0.00 C ATOM 418 O TYR A 29 6.850 4.604 5.897 1.00 0.00 O ATOM 419 CB TYR A 29 4.646 2.151 6.533 1.00 0.00 C ATOM 420 CG TYR A 29 3.336 1.740 7.207 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.229 2.559 7.121 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.261 0.549 7.902 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.995 2.172 7.756 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.028 0.162 8.536 1.00 0.00 C ATOM 425 CZ TYR A 29 0.956 0.993 8.432 1.00 0.00 C ATOM 426 OH TYR A 29 -0.209 0.627 9.032 1.00 0.00 O ATOM 0 H TYR A 29 4.188 4.687 6.314 1.00 0.00 H new ATOM 0 HA TYR A 29 5.654 2.996 8.288 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.432 2.478 5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.294 1.277 6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.288 3.490 6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.127 -0.092 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.121 2.804 7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.956 -0.767 9.082 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.090 -0.238 9.477 1.00 0.00 H new ATOM 436 N GLU A 30 7.623 2.602 6.611 1.00 0.00 N ATOM 437 CA GLU A 30 8.912 2.741 5.956 1.00 0.00 C ATOM 438 C GLU A 30 8.777 2.468 4.456 1.00 0.00 C ATOM 439 O GLU A 30 9.450 3.101 3.644 1.00 0.00 O ATOM 440 CB GLU A 30 9.952 1.814 6.589 1.00 0.00 C ATOM 441 CG GLU A 30 10.437 2.371 7.929 1.00 0.00 C ATOM 442 CD GLU A 30 11.818 1.816 8.285 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.732 1.989 7.450 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.929 1.232 9.385 1.00 0.00 O ATOM 0 H GLU A 30 7.499 1.732 7.129 1.00 0.00 H new ATOM 0 HA GLU A 30 9.257 3.766 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.520 0.824 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.798 1.695 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.480 3.459 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.725 2.114 8.713 1.00 0.00 H new ATOM 451 N SER A 31 7.902 1.527 4.134 1.00 0.00 N ATOM 452 CA SER A 31 7.670 1.163 2.747 1.00 0.00 C ATOM 453 C SER A 31 6.192 1.348 2.398 1.00 0.00 C ATOM 454 O SER A 31 5.335 1.328 3.279 1.00 0.00 O ATOM 455 CB SER A 31 8.103 -0.279 2.476 1.00 0.00 C ATOM 456 OG SER A 31 9.348 -0.342 1.785 1.00 0.00 O ATOM 0 H SER A 31 7.345 1.005 4.811 1.00 0.00 H new ATOM 0 HA SER A 31 8.271 1.818 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.185 -0.816 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.336 -0.783 1.888 1.00 0.00 H new ATOM 0 HG SER A 31 9.590 -1.279 1.632 1.00 0.00 H new ATOM 462 N VAL A 32 5.939 1.524 1.109 1.00 0.00 N ATOM 463 CA VAL A 32 4.579 1.713 0.632 1.00 0.00 C ATOM 464 C VAL A 32 3.787 0.421 0.840 1.00 0.00 C ATOM 465 O VAL A 32 2.662 0.451 1.337 1.00 0.00 O ATOM 466 CB VAL A 32 4.596 2.176 -0.826 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.255 1.892 -1.506 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.958 3.659 -0.926 1.00 0.00 C ATOM 0 H VAL A 32 6.653 1.540 0.380 1.00 0.00 H new ATOM 0 HA VAL A 32 4.079 2.496 1.202 1.00 0.00 H new ATOM 0 HB VAL A 32 5.365 1.608 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.293 2.231 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.054 0.821 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.461 2.422 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.963 3.963 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.223 4.251 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.946 3.822 -0.496 1.00 0.00 H new ATOM 478 N ASN A 33 4.405 -0.684 0.450 1.00 0.00 N ATOM 479 CA ASN A 33 3.772 -1.985 0.587 1.00 0.00 C ATOM 480 C ASN A 33 3.247 -2.143 2.015 1.00 0.00 C ATOM 481 O ASN A 33 2.133 -2.624 2.222 1.00 0.00 O ATOM 482 CB ASN A 33 4.769 -3.114 0.322 1.00 0.00 C ATOM 483 CG ASN A 33 6.150 -2.769 0.881 1.00 0.00 C ATOM 484 OD1 ASN A 33 7.014 -2.247 0.196 1.00 0.00 O ATOM 485 ND2 ASN A 33 6.310 -3.088 2.162 1.00 0.00 N ATOM 0 H ASN A 33 5.338 -0.705 0.039 1.00 0.00 H new ATOM 0 HA ASN A 33 2.961 -2.044 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.409 -4.036 0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.842 -3.295 -0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.197 -2.897 2.628 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.546 -3.523 2.678 1.00 0.00 H new ATOM 492 N GLU A 34 4.074 -1.731 2.965 1.00 0.00 N ATOM 493 CA GLU A 34 3.707 -1.821 4.368 1.00 0.00 C ATOM 494 C GLU A 34 2.355 -1.146 4.608 1.00 0.00 C ATOM 495 O GLU A 34 1.511 -1.677 5.328 1.00 0.00 O ATOM 496 CB GLU A 34 4.791 -1.209 5.258 1.00 0.00 C ATOM 497 CG GLU A 34 6.139 -1.897 5.033 1.00 0.00 C ATOM 498 CD GLU A 34 6.039 -3.400 5.302 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.631 -4.119 4.364 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.372 -3.797 6.439 1.00 0.00 O ATOM 0 H GLU A 34 4.997 -1.334 2.790 1.00 0.00 H new ATOM 0 HA GLU A 34 3.617 -2.874 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.882 -0.144 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.502 -1.301 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.471 -1.729 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.890 -1.456 5.688 1.00 0.00 H new ATOM 507 N CYS A 35 2.191 0.015 3.990 1.00 0.00 N ATOM 508 CA CYS A 35 0.956 0.767 4.127 1.00 0.00 C ATOM 509 C CYS A 35 -0.207 -0.140 3.721 1.00 0.00 C ATOM 510 O CYS A 35 -1.138 -0.348 4.498 1.00 0.00 O ATOM 511 CB CYS A 35 0.986 2.059 3.307 1.00 0.00 C ATOM 512 SG CYS A 35 2.302 3.167 3.932 1.00 0.00 S ATOM 0 H CYS A 35 2.893 0.453 3.393 1.00 0.00 H new ATOM 0 HA CYS A 35 0.829 1.076 5.165 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.162 1.829 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.019 2.559 3.366 1.00 0.00 H new ATOM 0 HG CYS A 35 2.665 2.783 5.120 1.00 0.00 H new ATOM 518 N MET A 36 -0.116 -0.656 2.504 1.00 0.00 N ATOM 519 CA MET A 36 -1.150 -1.536 1.985 1.00 0.00 C ATOM 520 C MET A 36 -1.556 -2.579 3.028 1.00 0.00 C ATOM 521 O MET A 36 -2.741 -2.752 3.310 1.00 0.00 O ATOM 522 CB MET A 36 -0.635 -2.242 0.730 1.00 0.00 C ATOM 523 CG MET A 36 -0.658 -1.301 -0.477 1.00 0.00 C ATOM 524 SD MET A 36 0.917 -0.476 -0.637 1.00 0.00 S ATOM 525 CE MET A 36 0.365 1.161 -1.082 1.00 0.00 C ATOM 0 H MET A 36 0.658 -0.482 1.862 1.00 0.00 H new ATOM 0 HA MET A 36 -2.025 -0.934 1.741 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.381 -2.597 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.249 -3.119 0.524 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.877 -1.865 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.453 -0.565 -0.360 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.813 1.450 -2.033 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.721 1.166 -1.176 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.665 1.869 -0.309 1.00 0.00 H new ATOM 535 N GLU A 37 -0.549 -3.246 3.574 1.00 0.00 N ATOM 536 CA GLU A 37 -0.787 -4.268 4.579 1.00 0.00 C ATOM 537 C GLU A 37 -1.804 -3.772 5.609 1.00 0.00 C ATOM 538 O GLU A 37 -2.769 -4.469 5.919 1.00 0.00 O ATOM 539 CB GLU A 37 0.520 -4.685 5.256 1.00 0.00 C ATOM 540 CG GLU A 37 0.687 -6.206 5.236 1.00 0.00 C ATOM 541 CD GLU A 37 1.525 -6.681 6.425 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.503 -5.973 6.749 1.00 0.00 O ATOM 543 OE2 GLU A 37 1.170 -7.742 6.982 1.00 0.00 O ATOM 0 H GLU A 37 0.433 -3.098 3.339 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.199 -5.148 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.363 -4.216 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.530 -4.328 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.293 -6.683 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.165 -6.511 4.305 1.00 0.00 H new ATOM 550 N GLY A 38 -1.553 -2.573 6.112 1.00 0.00 N ATOM 551 CA GLY A 38 -2.435 -1.976 7.101 1.00 0.00 C ATOM 552 C GLY A 38 -3.874 -1.916 6.586 1.00 0.00 C ATOM 553 O GLY A 38 -4.819 -1.931 7.373 1.00 0.00 O ATOM 0 H GLY A 38 -0.751 -1.998 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.399 -2.556 8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.089 -0.971 7.343 1.00 0.00 H new ATOM 557 N VAL A 39 -3.996 -1.850 5.269 1.00 0.00 N ATOM 558 CA VAL A 39 -5.304 -1.788 4.640 1.00 0.00 C ATOM 559 C VAL A 39 -5.938 -3.180 4.653 1.00 0.00 C ATOM 560 O VAL A 39 -6.901 -3.421 5.379 1.00 0.00 O ATOM 561 CB VAL A 39 -5.181 -1.200 3.233 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.556 -1.059 2.576 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.447 0.142 3.261 1.00 0.00 C ATOM 0 H VAL A 39 -3.210 -1.838 4.619 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.965 -1.125 5.198 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.591 -1.892 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.440 -0.639 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.028 -2.039 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.181 -0.398 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.373 0.538 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.998 0.845 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.446 0.001 3.669 1.00 0.00 H new ATOM 573 N CYS A 40 -5.372 -4.061 3.841 1.00 0.00 N ATOM 574 CA CYS A 40 -5.870 -5.423 3.750 1.00 0.00 C ATOM 575 C CYS A 40 -6.226 -5.900 5.160 1.00 0.00 C ATOM 576 O CYS A 40 -7.319 -6.415 5.387 1.00 0.00 O ATOM 577 CB CYS A 40 -4.859 -6.350 3.072 1.00 0.00 C ATOM 578 SG CYS A 40 -5.584 -8.017 2.859 1.00 0.00 S ATOM 0 H CYS A 40 -4.573 -3.858 3.240 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.762 -5.446 3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.572 -5.942 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.951 -6.413 3.672 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.683 -8.104 3.548 1.00 0.00 H new ATOM 584 N LYS A 41 -5.281 -5.711 6.070 1.00 0.00 N ATOM 585 CA LYS A 41 -5.481 -6.115 7.451 1.00 0.00 C ATOM 586 C LYS A 41 -6.923 -5.810 7.863 1.00 0.00 C ATOM 587 O LYS A 41 -7.614 -6.673 8.403 1.00 0.00 O ATOM 588 CB LYS A 41 -4.433 -5.466 8.356 1.00 0.00 C ATOM 589 CG LYS A 41 -3.048 -6.067 8.110 1.00 0.00 C ATOM 590 CD LYS A 41 -2.829 -7.312 8.972 1.00 0.00 C ATOM 591 CE LYS A 41 -1.419 -7.874 8.775 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.535 -7.457 9.887 1.00 0.00 N ATOM 0 H LYS A 41 -4.375 -5.284 5.877 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.339 -7.190 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.405 -4.392 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.713 -5.605 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.942 -6.327 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.281 -5.326 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.982 -7.063 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.567 -8.072 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.459 -8.962 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.011 -7.524 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.418 -7.847 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.483 -6.419 9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.917 -7.812 10.786 1.00 0.00 H new ATOM 606 N MET A 42 -7.335 -4.580 7.593 1.00 0.00 N ATOM 607 CA MET A 42 -8.682 -4.151 7.929 1.00 0.00 C ATOM 608 C MET A 42 -9.678 -5.302 7.776 1.00 0.00 C ATOM 609 O MET A 42 -10.177 -5.833 8.767 1.00 0.00 O ATOM 610 CB MET A 42 -9.092 -2.995 7.015 1.00 0.00 C ATOM 611 CG MET A 42 -8.264 -1.743 7.309 1.00 0.00 C ATOM 612 SD MET A 42 -9.112 -0.294 6.702 1.00 0.00 S ATOM 613 CE MET A 42 -8.551 -0.295 5.007 1.00 0.00 C ATOM 0 H MET A 42 -6.760 -3.867 7.145 1.00 0.00 H new ATOM 0 HA MET A 42 -8.691 -3.824 8.969 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.960 -3.286 5.973 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.151 -2.776 7.153 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.095 -1.653 8.382 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.285 -1.826 6.838 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.356 0.048 4.357 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.695 0.372 4.907 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.259 -1.306 4.721 1.00 0.00 H new ATOM 623 N TYR A 43 -9.938 -5.655 6.525 1.00 0.00 N ATOM 624 CA TYR A 43 -10.866 -6.733 6.230 1.00 0.00 C ATOM 625 C TYR A 43 -10.526 -7.986 7.039 1.00 0.00 C ATOM 626 O TYR A 43 -11.382 -8.532 7.734 1.00 0.00 O ATOM 627 CB TYR A 43 -10.695 -7.040 4.741 1.00 0.00 C ATOM 628 CG TYR A 43 -11.927 -7.672 4.090 1.00 0.00 C ATOM 629 CD1 TYR A 43 -13.050 -6.907 3.850 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.915 -9.008 3.743 1.00 0.00 C ATOM 631 CE1 TYR A 43 -14.209 -7.501 3.237 1.00 0.00 C ATOM 632 CE2 TYR A 43 -13.075 -9.603 3.131 1.00 0.00 C ATOM 633 CZ TYR A 43 -14.165 -8.820 2.908 1.00 0.00 C ATOM 634 OH TYR A 43 -15.260 -9.382 2.329 1.00 0.00 O ATOM 0 H TYR A 43 -9.522 -5.213 5.705 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.886 -6.442 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.453 -6.116 4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.845 -7.711 4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.059 -5.862 4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.036 -9.607 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -15.094 -6.913 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.079 -10.647 2.855 1.00 0.00 H new ATOM 0 HH TYR A 43 -15.739 -8.704 1.808 1.00 0.00 H new ATOM 644 N GLU A 44 -9.275 -8.406 6.922 1.00 0.00 N ATOM 645 CA GLU A 44 -8.812 -9.585 7.635 1.00 0.00 C ATOM 646 C GLU A 44 -9.312 -9.562 9.080 1.00 0.00 C ATOM 647 O GLU A 44 -9.761 -10.581 9.602 1.00 0.00 O ATOM 648 CB GLU A 44 -7.286 -9.692 7.584 1.00 0.00 C ATOM 649 CG GLU A 44 -6.813 -10.123 6.194 1.00 0.00 C ATOM 650 CD GLU A 44 -5.874 -11.328 6.284 1.00 0.00 C ATOM 651 OE1 GLU A 44 -5.386 -11.585 7.406 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.666 -11.965 5.229 1.00 0.00 O ATOM 0 H GLU A 44 -8.568 -7.951 6.344 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.222 -10.467 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.842 -8.731 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.943 -10.411 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.674 -10.374 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.300 -9.294 5.707 1.00 0.00 H new ATOM 659 N GLU A 45 -9.217 -8.388 9.687 1.00 0.00 N ATOM 660 CA GLU A 45 -9.654 -8.219 11.063 1.00 0.00 C ATOM 661 C GLU A 45 -11.061 -8.791 11.247 1.00 0.00 C ATOM 662 O GLU A 45 -11.311 -9.542 12.189 1.00 0.00 O ATOM 663 CB GLU A 45 -9.602 -6.747 11.477 1.00 0.00 C ATOM 664 CG GLU A 45 -8.226 -6.144 11.188 1.00 0.00 C ATOM 665 CD GLU A 45 -7.488 -5.814 12.487 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.715 -4.697 13.001 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.713 -6.686 12.937 1.00 0.00 O ATOM 0 H GLU A 45 -8.844 -7.545 9.251 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.972 -8.769 11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.368 -6.187 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.827 -6.656 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.635 -6.844 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.340 -5.240 10.590 1.00 0.00 H new ATOM 674 N HIS A 46 -11.943 -8.415 10.332 1.00 0.00 N ATOM 675 CA HIS A 46 -13.318 -8.882 10.382 1.00 0.00 C ATOM 676 C HIS A 46 -13.360 -10.386 10.103 1.00 0.00 C ATOM 677 O HIS A 46 -14.332 -11.057 10.445 1.00 0.00 O ATOM 678 CB HIS A 46 -14.199 -8.077 9.425 1.00 0.00 C ATOM 679 CG HIS A 46 -15.399 -8.836 8.910 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.614 -8.857 9.574 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.559 -9.598 7.790 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.458 -9.603 8.876 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.802 -10.061 7.771 1.00 0.00 N ATOM 0 H HIS A 46 -11.732 -7.792 9.552 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.725 -8.722 11.381 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.543 -7.177 9.934 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.595 -7.753 8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.802 -9.792 7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.485 -9.812 9.136 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.201 -10.661 7.049 1.00 0.00 H new ATOM 691 N LEU A 47 -12.293 -10.871 9.485 1.00 0.00 N ATOM 692 CA LEU A 47 -12.195 -12.283 9.156 1.00 0.00 C ATOM 693 C LEU A 47 -11.626 -13.043 10.356 1.00 0.00 C ATOM 694 O LEU A 47 -12.199 -14.039 10.793 1.00 0.00 O ATOM 695 CB LEU A 47 -11.395 -12.479 7.867 1.00 0.00 C ATOM 696 CG LEU A 47 -12.211 -12.797 6.613 1.00 0.00 C ATOM 697 CD1 LEU A 47 -13.275 -11.726 6.364 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.299 -12.991 5.400 1.00 0.00 C ATOM 0 H LEU A 47 -11.488 -10.311 9.203 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.183 -12.697 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.817 -11.574 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.680 -13.287 8.026 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.735 -13.739 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.841 -11.977 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.951 -11.679 7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.792 -10.758 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.904 -13.216 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.729 -12.079 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.613 -13.817 5.589 1.00 0.00 H new ATOM 710 N LYS A 48 -10.504 -12.544 10.854 1.00 0.00 N ATOM 711 CA LYS A 48 -9.850 -13.164 11.994 1.00 0.00 C ATOM 712 C LYS A 48 -10.910 -13.612 13.002 1.00 0.00 C ATOM 713 O LYS A 48 -10.976 -14.788 13.357 1.00 0.00 O ATOM 714 CB LYS A 48 -8.798 -12.223 12.585 1.00 0.00 C ATOM 715 CG LYS A 48 -7.951 -11.586 11.482 1.00 0.00 C ATOM 716 CD LYS A 48 -6.481 -11.500 11.900 1.00 0.00 C ATOM 717 CE LYS A 48 -5.598 -11.092 10.719 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.197 -10.910 11.158 1.00 0.00 N ATOM 0 H LYS A 48 -10.031 -11.717 10.489 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.307 -14.057 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.289 -11.443 13.168 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.154 -12.775 13.270 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.039 -12.172 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.328 -10.588 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.371 -10.777 12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.153 -12.464 12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.645 -11.854 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.971 -10.166 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.611 -10.633 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.154 -10.167 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.839 -11.802 11.555 1.00 0.00 H new ATOM 732 N ARG A 49 -11.713 -12.651 13.435 1.00 0.00 N ATOM 733 CA ARG A 49 -12.767 -12.932 14.395 1.00 0.00 C ATOM 734 C ARG A 49 -13.580 -14.149 13.950 1.00 0.00 C ATOM 735 O ARG A 49 -13.967 -14.977 14.773 1.00 0.00 O ATOM 736 CB ARG A 49 -13.703 -11.733 14.553 1.00 0.00 C ATOM 737 CG ARG A 49 -13.895 -11.007 13.220 1.00 0.00 C ATOM 738 CD ARG A 49 -15.363 -10.636 13.004 1.00 0.00 C ATOM 739 NE ARG A 49 -15.505 -9.165 12.914 1.00 0.00 N ATOM 740 CZ ARG A 49 -15.514 -8.345 13.973 1.00 0.00 C ATOM 741 NH1 ARG A 49 -15.388 -8.846 15.209 1.00 0.00 N ATOM 742 NH2 ARG A 49 -15.647 -7.023 13.796 1.00 0.00 N ATOM 0 H ARG A 49 -11.655 -11.677 13.139 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.294 -13.138 15.355 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.669 -12.069 14.931 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.294 -11.043 15.291 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.282 -10.106 13.201 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.553 -11.643 12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.734 -11.102 12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.968 -11.019 13.826 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.602 -8.750 11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.285 -9.852 15.344 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.395 -8.222 16.016 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.741 -6.641 12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.654 -6.399 14.603 1.00 0.00 H new ATOM 756 N MET A 50 -13.815 -14.220 12.647 1.00 0.00 N ATOM 757 CA MET A 50 -14.575 -15.322 12.083 1.00 0.00 C ATOM 758 C MET A 50 -13.704 -16.571 11.936 1.00 0.00 C ATOM 759 O MET A 50 -14.175 -17.689 12.139 1.00 0.00 O ATOM 760 CB MET A 50 -15.121 -14.916 10.712 1.00 0.00 C ATOM 761 CG MET A 50 -15.803 -13.549 10.776 1.00 0.00 C ATOM 762 SD MET A 50 -17.567 -13.736 10.573 1.00 0.00 S ATOM 763 CE MET A 50 -17.611 -14.539 8.979 1.00 0.00 C ATOM 0 H MET A 50 -13.492 -13.532 11.967 1.00 0.00 H new ATOM 0 HA MET A 50 -15.398 -15.554 12.758 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.308 -14.887 9.987 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.832 -15.665 10.364 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.587 -13.070 11.731 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.406 -12.899 9.997 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.445 -14.147 8.397 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.678 -14.348 8.449 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.737 -15.613 9.116 1.00 0.00 H new ATOM 773 N ASN A 51 -12.447 -16.339 11.585 1.00 0.00 N ATOM 774 CA ASN A 51 -11.505 -17.431 11.409 1.00 0.00 C ATOM 775 C ASN A 51 -10.294 -17.206 12.317 1.00 0.00 C ATOM 776 O ASN A 51 -9.377 -16.467 11.962 1.00 0.00 O ATOM 777 CB ASN A 51 -11.007 -17.502 9.965 1.00 0.00 C ATOM 778 CG ASN A 51 -12.129 -17.164 8.981 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.755 -18.030 8.392 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.347 -15.860 8.835 1.00 0.00 N ATOM 0 H ASN A 51 -12.059 -15.410 11.418 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.016 -18.360 11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.177 -16.809 9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.625 -18.501 9.757 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.075 -15.533 8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.787 -15.187 9.359 1.00 0.00 H new ATOM 787 N PRO A 52 -10.331 -17.874 13.501 1.00 0.00 N ATOM 788 CA PRO A 52 -9.248 -17.754 14.462 1.00 0.00 C ATOM 789 C PRO A 52 -8.023 -18.552 14.010 1.00 0.00 C ATOM 790 O PRO A 52 -6.989 -17.974 13.678 1.00 0.00 O ATOM 791 CB PRO A 52 -9.829 -18.252 15.775 1.00 0.00 C ATOM 792 CG PRO A 52 -11.061 -19.063 15.404 1.00 0.00 C ATOM 793 CD PRO A 52 -11.401 -18.758 13.955 1.00 0.00 C ATOM 0 HA PRO A 52 -8.888 -16.730 14.564 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.106 -18.864 16.315 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.091 -17.419 16.427 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.871 -20.128 15.535 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.897 -18.806 16.054 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.442 -19.669 13.358 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -12.375 -18.277 13.870 1.00 0.00 H new ATOM 801 N ASN A 53 -8.180 -19.868 14.012 1.00 0.00 N ATOM 802 CA ASN A 53 -7.100 -20.751 13.606 1.00 0.00 C ATOM 803 C ASN A 53 -6.403 -20.166 12.376 1.00 0.00 C ATOM 804 O ASN A 53 -5.212 -20.389 12.168 1.00 0.00 O ATOM 805 CB ASN A 53 -7.632 -22.136 13.234 1.00 0.00 C ATOM 806 CG ASN A 53 -8.570 -22.058 12.028 1.00 0.00 C ATOM 807 OD1 ASN A 53 -8.175 -22.244 10.889 1.00 0.00 O ATOM 808 ND2 ASN A 53 -9.831 -21.774 12.341 1.00 0.00 N ATOM 0 H ASN A 53 -9.039 -20.344 14.288 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.407 -20.843 14.443 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.798 -22.801 13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.162 -22.566 14.084 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.535 -21.700 11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.094 -21.630 13.316 1.00 0.00 H new ATOM 815 N SER A 54 -7.177 -19.429 11.592 1.00 0.00 N ATOM 816 CA SER A 54 -6.649 -18.810 10.388 1.00 0.00 C ATOM 817 C SER A 54 -5.220 -18.321 10.634 1.00 0.00 C ATOM 818 O SER A 54 -5.015 -17.284 11.263 1.00 0.00 O ATOM 819 CB SER A 54 -7.536 -17.651 9.930 1.00 0.00 C ATOM 820 OG SER A 54 -7.320 -16.475 10.706 1.00 0.00 O ATOM 0 H SER A 54 -8.165 -19.247 11.767 1.00 0.00 H new ATOM 0 HA SER A 54 -6.638 -19.558 9.595 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.337 -17.435 8.880 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.583 -17.945 10.001 1.00 0.00 H new ATOM 0 HG SER A 54 -8.180 -16.044 10.893 1.00 0.00 H new ATOM 826 N PRO A 55 -4.244 -19.111 10.112 1.00 0.00 N ATOM 827 CA PRO A 55 -2.841 -18.769 10.269 1.00 0.00 C ATOM 828 C PRO A 55 -2.451 -17.615 9.342 1.00 0.00 C ATOM 829 O PRO A 55 -1.798 -16.664 9.770 1.00 0.00 O ATOM 830 CB PRO A 55 -2.086 -20.054 9.968 1.00 0.00 C ATOM 831 CG PRO A 55 -3.059 -20.939 9.205 1.00 0.00 C ATOM 832 CD PRO A 55 -4.450 -20.346 9.362 1.00 0.00 C ATOM 0 HA PRO A 55 -2.605 -18.410 11.271 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.193 -19.853 9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.756 -20.538 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.783 -20.991 8.152 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.032 -21.958 9.592 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.908 -20.149 8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.113 -21.027 9.895 1.00 0.00 H new ATOM 840 N SER A 56 -2.867 -17.738 8.091 1.00 0.00 N ATOM 841 CA SER A 56 -2.569 -16.717 7.100 1.00 0.00 C ATOM 842 C SER A 56 -3.869 -16.157 6.519 1.00 0.00 C ATOM 843 O SER A 56 -3.843 -15.230 5.711 1.00 0.00 O ATOM 844 CB SER A 56 -1.687 -17.276 5.982 1.00 0.00 C ATOM 845 OG SER A 56 -1.409 -16.299 4.982 1.00 0.00 O ATOM 0 H SER A 56 -3.408 -18.528 7.740 1.00 0.00 H new ATOM 0 HA SER A 56 -2.021 -15.913 7.591 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.750 -17.638 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.181 -18.133 5.524 1.00 0.00 H new ATOM 0 HG SER A 56 -2.082 -15.588 5.023 1.00 0.00 H new ATOM 851 N ILE A 57 -4.975 -16.743 6.954 1.00 0.00 N ATOM 852 CA ILE A 57 -6.283 -16.313 6.488 1.00 0.00 C ATOM 853 C ILE A 57 -6.378 -16.534 4.977 1.00 0.00 C ATOM 854 O ILE A 57 -5.368 -16.768 4.315 1.00 0.00 O ATOM 855 CB ILE A 57 -6.557 -14.870 6.917 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.440 -14.718 8.435 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.914 -14.392 6.396 1.00 0.00 C ATOM 858 CD1 ILE A 57 -7.665 -14.004 9.011 1.00 0.00 C ATOM 0 H ILE A 57 -4.992 -17.512 7.624 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.068 -16.912 6.949 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.796 -14.230 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.337 -15.701 8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.539 -14.156 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.084 -13.364 6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.923 -14.441 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.702 -15.031 6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.556 -13.909 10.091 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.751 -13.013 8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.562 -14.581 8.786 1.00 0.00 H new ATOM 870 N THR A 58 -7.602 -16.452 4.475 1.00 0.00 N ATOM 871 CA THR A 58 -7.843 -16.640 3.055 1.00 0.00 C ATOM 872 C THR A 58 -9.320 -16.411 2.730 1.00 0.00 C ATOM 873 O THR A 58 -10.198 -16.926 3.420 1.00 0.00 O ATOM 874 CB THR A 58 -7.345 -18.034 2.672 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.871 -17.879 1.337 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.483 -19.049 2.547 1.00 0.00 C ATOM 0 H THR A 58 -8.437 -16.258 5.027 1.00 0.00 H new ATOM 0 HA THR A 58 -7.295 -15.909 2.460 1.00 0.00 H new ATOM 0 HB THR A 58 -6.630 -18.381 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.528 -18.737 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.074 -20.022 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.005 -19.130 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.182 -18.720 1.778 1.00 0.00 H new ATOM 884 N TYR A 59 -9.549 -15.639 1.677 1.00 0.00 N ATOM 885 CA TYR A 59 -10.905 -15.336 1.252 1.00 0.00 C ATOM 886 C TYR A 59 -10.930 -14.861 -0.202 1.00 0.00 C ATOM 887 O TYR A 59 -11.682 -15.390 -1.019 1.00 0.00 O ATOM 888 CB TYR A 59 -11.386 -14.199 2.156 1.00 0.00 C ATOM 889 CG TYR A 59 -10.310 -13.159 2.474 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.403 -13.393 3.488 1.00 0.00 C ATOM 891 CD2 TYR A 59 -10.247 -11.988 1.748 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.391 -12.414 3.788 1.00 0.00 C ATOM 893 CE2 TYR A 59 -9.234 -11.009 2.048 1.00 0.00 C ATOM 894 CZ TYR A 59 -8.356 -11.270 3.053 1.00 0.00 C ATOM 895 OH TYR A 59 -7.400 -10.345 3.336 1.00 0.00 O ATOM 0 H TYR A 59 -8.818 -15.215 1.106 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.537 -16.222 1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.229 -13.700 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.755 -14.623 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.453 -14.310 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.957 -11.805 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.676 -12.584 4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.173 -10.088 1.487 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.212 -9.813 2.535 1.00 0.00 H new ATOM 905 N ASP A 60 -10.098 -13.868 -0.481 1.00 0.00 N ATOM 906 CA ASP A 60 -10.016 -13.316 -1.823 1.00 0.00 C ATOM 907 C ASP A 60 -9.469 -11.889 -1.749 1.00 0.00 C ATOM 908 O ASP A 60 -9.472 -11.273 -0.685 1.00 0.00 O ATOM 909 CB ASP A 60 -11.396 -13.260 -2.481 1.00 0.00 C ATOM 910 CG ASP A 60 -11.638 -14.311 -3.565 1.00 0.00 C ATOM 911 OD1 ASP A 60 -10.629 -14.832 -4.086 1.00 0.00 O ATOM 912 OD2 ASP A 60 -12.828 -14.571 -3.848 1.00 0.00 O ATOM 0 H ASP A 60 -9.475 -13.432 0.199 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.362 -13.958 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.156 -13.376 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.534 -12.271 -2.918 1.00 0.00 H new ATOM 917 N ILE A 61 -9.011 -11.405 -2.895 1.00 0.00 N ATOM 918 CA ILE A 61 -8.462 -10.062 -2.974 1.00 0.00 C ATOM 919 C ILE A 61 -9.578 -9.079 -3.332 1.00 0.00 C ATOM 920 O ILE A 61 -9.630 -7.972 -2.799 1.00 0.00 O ATOM 921 CB ILE A 61 -7.276 -10.024 -3.939 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.025 -9.476 -3.250 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.624 -9.238 -5.205 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.859 -9.366 -4.236 1.00 0.00 C ATOM 0 H ILE A 61 -9.009 -11.919 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.066 -9.755 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.053 -11.046 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.240 -8.496 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.746 -10.128 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.764 -9.226 -5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.468 -9.712 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.889 -8.215 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.982 -8.974 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.631 -10.352 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.132 -8.694 -5.049 1.00 0.00 H new ATOM 936 N SER A 62 -10.444 -9.520 -4.232 1.00 0.00 N ATOM 937 CA SER A 62 -11.557 -8.693 -4.668 1.00 0.00 C ATOM 938 C SER A 62 -12.589 -8.570 -3.545 1.00 0.00 C ATOM 939 O SER A 62 -13.026 -7.468 -3.218 1.00 0.00 O ATOM 940 CB SER A 62 -12.209 -9.266 -5.928 1.00 0.00 C ATOM 941 OG SER A 62 -12.195 -8.335 -7.007 1.00 0.00 O ATOM 0 H SER A 62 -10.398 -10.439 -4.672 1.00 0.00 H new ATOM 0 HA SER A 62 -11.173 -7.702 -4.910 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.685 -10.174 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.238 -9.549 -5.707 1.00 0.00 H new ATOM 0 HG SER A 62 -12.618 -8.739 -7.793 1.00 0.00 H new ATOM 947 N GLN A 63 -12.948 -9.716 -2.987 1.00 0.00 N ATOM 948 CA GLN A 63 -13.920 -9.751 -1.908 1.00 0.00 C ATOM 949 C GLN A 63 -13.553 -8.729 -0.830 1.00 0.00 C ATOM 950 O GLN A 63 -14.429 -8.071 -0.269 1.00 0.00 O ATOM 951 CB GLN A 63 -14.031 -11.157 -1.315 1.00 0.00 C ATOM 952 CG GLN A 63 -14.490 -11.102 0.144 1.00 0.00 C ATOM 953 CD GLN A 63 -15.226 -12.385 0.536 1.00 0.00 C ATOM 954 OE1 GLN A 63 -15.026 -13.445 -0.035 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.085 -12.231 1.539 1.00 0.00 N ATOM 0 H GLN A 63 -12.583 -10.628 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.896 -9.486 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.736 -11.748 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.066 -11.659 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.628 -10.960 0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.145 -10.243 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.204 -11.315 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.625 -13.028 1.875 1.00 0.00 H new ATOM 964 N LEU A 64 -12.257 -8.627 -0.572 1.00 0.00 N ATOM 965 CA LEU A 64 -11.764 -7.696 0.428 1.00 0.00 C ATOM 966 C LEU A 64 -12.062 -6.264 -0.022 1.00 0.00 C ATOM 967 O LEU A 64 -12.602 -5.468 0.744 1.00 0.00 O ATOM 968 CB LEU A 64 -10.284 -7.955 0.718 1.00 0.00 C ATOM 969 CG LEU A 64 -9.366 -6.732 0.664 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.808 -5.670 1.673 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.903 -7.135 0.858 1.00 0.00 C ATOM 0 H LEU A 64 -11.534 -9.174 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.281 -7.846 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.201 -8.403 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.918 -8.692 0.003 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.447 -6.287 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.139 -4.811 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.826 -5.353 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.774 -6.088 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.272 -6.247 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.784 -7.618 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.609 -7.827 0.069 1.00 0.00 H new ATOM 983 N PHE A 65 -11.696 -5.981 -1.264 1.00 0.00 N ATOM 984 CA PHE A 65 -11.918 -4.660 -1.826 1.00 0.00 C ATOM 985 C PHE A 65 -13.388 -4.253 -1.709 1.00 0.00 C ATOM 986 O PHE A 65 -13.711 -3.066 -1.729 1.00 0.00 O ATOM 987 CB PHE A 65 -11.537 -4.733 -3.306 1.00 0.00 C ATOM 988 CG PHE A 65 -10.043 -4.947 -3.555 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.166 -4.891 -2.517 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.591 -5.192 -4.814 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.779 -5.089 -2.747 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.204 -5.390 -5.045 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.327 -5.334 -4.007 1.00 0.00 C ATOM 0 H PHE A 65 -11.247 -6.644 -1.896 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.322 -3.923 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.093 -5.546 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.848 -3.811 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.525 -4.696 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.287 -5.236 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.083 -5.045 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.846 -5.585 -6.045 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.272 -5.484 -4.183 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.240 -5.261 -1.589 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.668 -5.023 -1.469 1.00 0.00 C ATOM 1005 C ASP A 66 -15.931 -4.121 -0.261 1.00 0.00 C ATOM 1006 O ASP A 66 -16.912 -3.380 -0.237 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.428 -6.333 -1.255 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.948 -6.230 -1.400 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.434 -5.081 -1.482 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.590 -7.303 -1.426 1.00 0.00 O ATOM 0 H ASP A 66 -13.968 -6.244 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.010 -4.554 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.059 -7.070 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.198 -6.710 -0.259 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.036 -4.214 0.712 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.159 -3.415 1.919 1.00 0.00 C ATOM 1017 C PHE A 67 -14.561 -2.021 1.719 1.00 0.00 C ATOM 1018 O PHE A 67 -15.013 -1.054 2.330 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.377 -4.140 3.016 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.703 -3.204 4.022 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.442 -2.604 4.993 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.365 -2.972 3.945 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.817 -1.736 5.927 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.740 -2.104 4.878 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.479 -1.504 5.849 1.00 0.00 C ATOM 0 H PHE A 67 -14.223 -4.830 0.689 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.211 -3.295 2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.054 -4.805 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.616 -4.767 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.505 -2.788 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.778 -3.448 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.404 -1.260 6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.678 -1.920 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.003 -0.843 6.558 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.553 -1.963 0.860 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.889 -0.704 0.571 1.00 0.00 C ATOM 1037 C ILE A 68 -13.914 0.298 0.036 1.00 0.00 C ATOM 1038 O ILE A 68 -13.824 1.493 0.315 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.700 -0.928 -0.366 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.464 -1.378 0.414 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.424 0.319 -1.209 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.398 -1.945 -0.527 1.00 0.00 C ATOM 0 H ILE A 68 -13.181 -2.768 0.355 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.471 -0.276 1.482 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.955 -1.733 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.053 -0.535 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.747 -2.134 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.574 0.133 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.303 0.554 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.198 1.159 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.530 -2.258 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.805 -2.803 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.100 -1.179 -1.243 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.864 -0.225 -0.724 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.905 0.608 -1.301 1.00 0.00 C ATOM 1056 C ASP A 69 -16.797 1.150 -0.182 1.00 0.00 C ATOM 1057 O ASP A 69 -17.088 2.344 -0.138 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.786 -0.195 -2.260 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.687 0.220 -3.729 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -15.736 -0.251 -4.390 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -17.565 1.000 -4.159 1.00 0.00 O ATOM 0 H ASP A 69 -14.935 -1.216 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.423 1.419 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.521 -1.249 -2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.824 -0.101 -1.941 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.207 0.245 0.695 1.00 0.00 N ATOM 1067 CA ASP A 70 -18.060 0.617 1.811 1.00 0.00 C ATOM 1068 C ASP A 70 -17.551 1.924 2.423 1.00 0.00 C ATOM 1069 O ASP A 70 -18.342 2.798 2.775 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.038 -0.455 2.902 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.200 -0.389 3.896 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.676 0.741 4.139 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.585 -1.470 4.391 1.00 0.00 O ATOM 0 H ASP A 70 -16.964 -0.745 0.655 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.077 0.729 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.041 -1.436 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.102 -0.371 3.454 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.233 2.017 2.531 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.610 3.202 3.094 1.00 0.00 C ATOM 1080 C LEU A 71 -16.118 4.441 2.353 1.00 0.00 C ATOM 1081 O LEU A 71 -16.806 4.324 1.340 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.086 3.062 3.084 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.513 1.923 3.929 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -12.171 1.446 3.369 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.407 2.331 5.400 1.00 0.00 C ATOM 0 H LEU A 71 -15.580 1.290 2.238 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.890 3.319 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.760 2.923 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.652 4.000 3.431 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.202 1.080 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.786 0.636 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.309 1.089 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.461 2.273 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.997 1.503 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.752 3.197 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.397 2.584 5.780 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.759 5.599 2.887 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.170 6.858 2.290 1.00 0.00 C ATOM 1099 C ALA A 72 -15.262 7.173 1.099 1.00 0.00 C ATOM 1100 O ALA A 72 -15.741 7.547 0.030 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.143 7.960 3.351 1.00 0.00 C ATOM 0 H ALA A 72 -15.188 5.692 3.727 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.192 6.790 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.451 8.904 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.826 7.702 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.132 8.059 3.747 1.00 0.00 H new ATOM 1107 N ASP A 73 -13.966 7.010 1.325 1.00 0.00 N ATOM 1108 CA ASP A 73 -12.987 7.272 0.284 1.00 0.00 C ATOM 1109 C ASP A 73 -11.581 7.043 0.844 1.00 0.00 C ATOM 1110 O ASP A 73 -11.181 7.690 1.810 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.073 8.721 -0.200 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.346 9.007 -1.516 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -12.805 8.470 -2.547 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.346 9.756 -1.461 1.00 0.00 O ATOM 0 H ASP A 73 -13.572 6.700 2.213 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.192 6.600 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.123 8.987 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.663 9.371 0.573 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.871 6.121 0.212 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.518 5.798 0.634 1.00 0.00 C ATOM 1121 C LEU A 74 -8.520 6.549 -0.249 1.00 0.00 C ATOM 1122 O LEU A 74 -8.739 6.698 -1.450 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.308 4.283 0.649 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.847 3.682 1.978 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -9.927 3.833 3.052 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.415 2.225 1.801 1.00 0.00 C ATOM 0 H LEU A 74 -11.207 5.587 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.350 6.129 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.244 3.804 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.573 4.031 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.973 4.238 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.574 3.398 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.144 4.890 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.833 3.319 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.092 1.822 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.254 1.640 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.590 2.174 1.090 1.00 0.00 H new ATOM 1138 N SER A 75 -7.445 7.001 0.380 1.00 0.00 N ATOM 1139 CA SER A 75 -6.412 7.733 -0.334 1.00 0.00 C ATOM 1140 C SER A 75 -5.038 7.406 0.254 1.00 0.00 C ATOM 1141 O SER A 75 -4.937 6.664 1.229 1.00 0.00 O ATOM 1142 CB SER A 75 -6.668 9.240 -0.281 1.00 0.00 C ATOM 1143 OG SER A 75 -8.046 9.555 -0.464 1.00 0.00 O ATOM 0 H SER A 75 -7.267 6.875 1.376 1.00 0.00 H new ATOM 0 HA SER A 75 -6.435 7.425 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.331 9.631 0.679 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.078 9.735 -1.052 1.00 0.00 H new ATOM 0 HG SER A 75 -8.168 10.526 -0.422 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.015 7.977 -0.365 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.651 7.756 0.085 1.00 0.00 C ATOM 1151 C CYS A 76 -1.784 8.909 -0.424 1.00 0.00 C ATOM 1152 O CYS A 76 -2.190 9.647 -1.321 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.118 6.396 -0.372 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.716 6.025 -2.061 1.00 0.00 S ATOM 0 H CYS A 76 -4.103 8.592 -1.174 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.624 7.736 1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.028 6.399 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.445 5.618 0.318 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.940 5.139 -2.611 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.606 9.029 0.170 1.00 0.00 N ATOM 1161 CA LEU A 77 0.322 10.080 -0.212 1.00 0.00 C ATOM 1162 C LEU A 77 1.652 9.452 -0.633 1.00 0.00 C ATOM 1163 O LEU A 77 2.327 8.817 0.176 1.00 0.00 O ATOM 1164 CB LEU A 77 0.457 11.110 0.912 1.00 0.00 C ATOM 1165 CG LEU A 77 -0.757 12.012 1.144 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.375 12.452 -0.185 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.781 11.330 2.054 1.00 0.00 C ATOM 0 H LEU A 77 -0.273 8.415 0.914 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.058 10.629 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.674 10.580 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.319 11.742 0.697 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.420 12.913 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.236 13.092 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.635 13.004 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.694 11.574 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.634 11.992 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.118 10.403 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.321 11.109 3.017 1.00 0.00 H new ATOM 1179 N VAL A 78 1.988 9.650 -1.900 1.00 0.00 N ATOM 1180 CA VAL A 78 3.225 9.112 -2.438 1.00 0.00 C ATOM 1181 C VAL A 78 4.233 10.248 -2.625 1.00 0.00 C ATOM 1182 O VAL A 78 3.927 11.255 -3.261 1.00 0.00 O ATOM 1183 CB VAL A 78 2.943 8.345 -3.732 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.243 8.007 -4.464 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.126 7.082 -3.453 1.00 0.00 C ATOM 0 H VAL A 78 1.425 10.175 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 78 3.665 8.399 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 78 2.352 8.990 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.014 7.462 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.771 8.928 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.872 7.390 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.939 6.555 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.680 6.432 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.176 7.357 -2.996 1.00 0.00 H new ATOM 1195 N TYR A 79 5.414 10.047 -2.059 1.00 0.00 N ATOM 1196 CA TYR A 79 6.468 11.042 -2.155 1.00 0.00 C ATOM 1197 C TYR A 79 7.188 10.950 -3.502 1.00 0.00 C ATOM 1198 O TYR A 79 7.369 9.859 -4.040 1.00 0.00 O ATOM 1199 CB TYR A 79 7.460 10.715 -1.037 1.00 0.00 C ATOM 1200 CG TYR A 79 8.791 11.462 -1.147 1.00 0.00 C ATOM 1201 CD1 TYR A 79 8.802 12.836 -1.277 1.00 0.00 C ATOM 1202 CD2 TYR A 79 9.980 10.762 -1.115 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.054 13.539 -1.381 1.00 0.00 C ATOM 1204 CE2 TYR A 79 11.232 11.466 -1.219 1.00 0.00 C ATOM 1205 CZ TYR A 79 11.207 12.820 -1.346 1.00 0.00 C ATOM 1206 OH TYR A 79 12.390 13.484 -1.444 1.00 0.00 O ATOM 0 H TYR A 79 5.664 9.210 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 79 6.056 12.047 -2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.001 10.952 -0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.656 9.643 -1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.871 13.384 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.972 9.687 -1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.077 14.614 -1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.170 10.931 -1.197 1.00 0.00 H new ATOM 0 HH TYR A 79 13.125 12.878 -1.215 1.00 0.00 H new ATOM 1216 N ARG A 80 7.580 12.110 -4.008 1.00 0.00 N ATOM 1217 CA ARG A 80 8.276 12.175 -5.282 1.00 0.00 C ATOM 1218 C ARG A 80 9.356 13.258 -5.243 1.00 0.00 C ATOM 1219 O ARG A 80 9.142 14.370 -5.724 1.00 0.00 O ATOM 1220 CB ARG A 80 7.305 12.473 -6.426 1.00 0.00 C ATOM 1221 CG ARG A 80 6.368 13.627 -6.062 1.00 0.00 C ATOM 1222 CD ARG A 80 5.077 13.565 -6.882 1.00 0.00 C ATOM 1223 NE ARG A 80 4.886 14.831 -7.623 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.478 15.114 -8.792 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.300 14.222 -9.360 1.00 0.00 N ATOM 1226 NH2 ARG A 80 5.246 16.290 -9.392 1.00 0.00 N ATOM 0 H ARG A 80 7.429 13.013 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 80 8.738 11.203 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.865 12.724 -7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.720 11.582 -6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.130 13.586 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.870 14.578 -6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.120 12.729 -7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.227 13.388 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 80 4.265 15.532 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.476 13.327 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.750 14.438 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.620 16.969 -8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.696 16.506 -10.281 1.00 0.00 H new ATOM 1240 N ALA A 81 10.492 12.895 -4.665 1.00 0.00 N ATOM 1241 CA ALA A 81 11.605 13.823 -4.557 1.00 0.00 C ATOM 1242 C ALA A 81 11.788 14.551 -5.890 1.00 0.00 C ATOM 1243 O ALA A 81 12.252 15.690 -5.920 1.00 0.00 O ATOM 1244 CB ALA A 81 12.863 13.063 -4.131 1.00 0.00 C ATOM 0 H ALA A 81 10.665 11.972 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 81 11.404 14.576 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.698 13.759 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.691 12.588 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.097 12.301 -4.874 1.00 0.00 H new ATOM 1250 N ASP A 82 11.414 13.864 -6.959 1.00 0.00 N ATOM 1251 CA ASP A 82 11.531 14.432 -8.292 1.00 0.00 C ATOM 1252 C ASP A 82 11.076 15.892 -8.261 1.00 0.00 C ATOM 1253 O ASP A 82 11.715 16.758 -8.856 1.00 0.00 O ATOM 1254 CB ASP A 82 10.646 13.682 -9.289 1.00 0.00 C ATOM 1255 CG ASP A 82 11.051 12.229 -9.548 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.182 11.876 -9.150 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.220 11.505 -10.137 1.00 0.00 O ATOM 0 H ASP A 82 11.030 12.920 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 82 12.573 14.352 -8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.619 13.698 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.655 14.220 -10.237 1.00 0.00 H new ATOM 1262 N THR A 83 9.974 16.121 -7.561 1.00 0.00 N ATOM 1263 CA THR A 83 9.426 17.462 -7.444 1.00 0.00 C ATOM 1264 C THR A 83 9.257 17.843 -5.972 1.00 0.00 C ATOM 1265 O THR A 83 8.795 18.939 -5.661 1.00 0.00 O ATOM 1266 CB THR A 83 8.119 17.509 -8.239 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.289 16.545 -7.597 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.280 16.974 -9.663 1.00 0.00 C ATOM 0 H THR A 83 9.446 15.400 -7.069 1.00 0.00 H new ATOM 0 HA THR A 83 10.105 18.205 -7.863 1.00 0.00 H new ATOM 0 HB THR A 83 7.753 18.535 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.603 15.644 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.324 17.030 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.018 17.574 -10.196 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.613 15.937 -9.627 1.00 0.00 H new ATOM 1276 N GLN A 84 9.640 16.916 -5.106 1.00 0.00 N ATOM 1277 CA GLN A 84 9.536 17.141 -3.675 1.00 0.00 C ATOM 1278 C GLN A 84 8.119 17.587 -3.309 1.00 0.00 C ATOM 1279 O GLN A 84 7.888 18.761 -3.024 1.00 0.00 O ATOM 1280 CB GLN A 84 10.572 18.164 -3.204 1.00 0.00 C ATOM 1281 CG GLN A 84 11.953 17.521 -3.064 1.00 0.00 C ATOM 1282 CD GLN A 84 12.389 17.472 -1.598 1.00 0.00 C ATOM 1283 OE1 GLN A 84 12.060 18.331 -0.796 1.00 0.00 O ATOM 1284 NE2 GLN A 84 13.144 16.420 -1.293 1.00 0.00 N ATOM 0 H GLN A 84 10.023 16.008 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 84 9.743 16.201 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.622 18.990 -3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.264 18.585 -2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.931 16.512 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.682 18.086 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.383 15.738 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.484 16.296 -0.339 1.00 0.00 H new ATOM 1293 N THR A 85 7.207 16.627 -3.329 1.00 0.00 N ATOM 1294 CA THR A 85 5.819 16.906 -3.003 1.00 0.00 C ATOM 1295 C THR A 85 5.059 15.603 -2.745 1.00 0.00 C ATOM 1296 O THR A 85 5.611 14.516 -2.909 1.00 0.00 O ATOM 1297 CB THR A 85 5.225 17.741 -4.139 1.00 0.00 C ATOM 1298 OG1 THR A 85 3.978 18.195 -3.621 1.00 0.00 O ATOM 1299 CG2 THR A 85 4.838 16.890 -5.350 1.00 0.00 C ATOM 0 H THR A 85 7.402 15.654 -3.566 1.00 0.00 H new ATOM 0 HA THR A 85 5.738 17.481 -2.081 1.00 0.00 H new ATOM 0 HB THR A 85 5.944 18.502 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.526 18.747 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.422 17.531 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.722 16.381 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.094 16.151 -5.053 1.00 0.00 H new ATOM 1307 N TYR A 86 3.805 15.756 -2.345 1.00 0.00 N ATOM 1308 CA TYR A 86 2.964 14.605 -2.063 1.00 0.00 C ATOM 1309 C TYR A 86 1.747 14.575 -2.990 1.00 0.00 C ATOM 1310 O TYR A 86 0.908 15.473 -2.947 1.00 0.00 O ATOM 1311 CB TYR A 86 2.487 14.776 -0.619 1.00 0.00 C ATOM 1312 CG TYR A 86 1.452 15.888 -0.433 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.856 17.207 -0.397 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.115 15.571 -0.302 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.882 18.253 -0.222 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.858 16.618 -0.127 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.427 17.907 -0.095 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.346 18.895 0.070 1.00 0.00 O ATOM 0 H TYR A 86 3.351 16.659 -2.210 1.00 0.00 H new ATOM 0 HA TYR A 86 3.518 13.678 -2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.059 13.834 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.348 14.986 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.902 17.455 -0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.201 14.539 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.184 19.289 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.907 16.384 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.240 18.501 0.146 1.00 0.00 H new ATOM 1328 N GLN A 87 1.691 13.533 -3.806 1.00 0.00 N ATOM 1329 CA GLN A 87 0.591 13.373 -4.741 1.00 0.00 C ATOM 1330 C GLN A 87 -0.524 12.534 -4.113 1.00 0.00 C ATOM 1331 O GLN A 87 -0.337 11.348 -3.846 1.00 0.00 O ATOM 1332 CB GLN A 87 1.072 12.751 -6.054 1.00 0.00 C ATOM 1333 CG GLN A 87 1.029 13.772 -7.193 1.00 0.00 C ATOM 1334 CD GLN A 87 0.082 13.314 -8.303 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.450 13.198 -9.461 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -1.156 13.061 -7.888 1.00 0.00 N ATOM 0 H GLN A 87 2.390 12.791 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 87 0.190 14.360 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.089 12.379 -5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.447 11.894 -6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.704 14.738 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.031 13.912 -7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.398 13.178 -6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.863 12.750 -8.554 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.688 13.200 -3.889 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.832 12.528 -3.297 1.00 0.00 C ATOM 1347 C PRO A 88 -3.513 11.608 -4.312 1.00 0.00 C ATOM 1348 O PRO A 88 -4.081 12.077 -5.297 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.737 13.648 -2.810 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.294 14.896 -3.555 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.945 14.605 -4.192 1.00 0.00 C ATOM 0 HA PRO A 88 -2.554 11.871 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.783 13.422 -3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.645 13.783 -1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.026 15.166 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.219 15.742 -2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.969 14.780 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.166 15.248 -3.781 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.434 10.314 -4.037 1.00 0.00 N ATOM 1360 CA TYR A 89 -4.036 9.324 -4.914 1.00 0.00 C ATOM 1361 C TYR A 89 -5.380 8.845 -4.360 1.00 0.00 C ATOM 1362 O TYR A 89 -5.806 9.282 -3.291 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.063 8.144 -4.948 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.776 8.422 -5.727 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.644 9.592 -6.448 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.746 7.503 -5.710 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.433 9.853 -7.181 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.465 7.765 -6.443 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.562 8.927 -7.143 1.00 0.00 C ATOM 1370 OH TYR A 89 1.706 9.174 -7.835 1.00 0.00 O ATOM 0 H TYR A 89 -2.962 9.928 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.216 9.746 -5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.805 7.870 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.566 7.284 -5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.449 10.311 -6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.849 6.587 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.317 10.764 -7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.278 7.055 -6.437 1.00 0.00 H new ATOM 0 HH TYR A 89 2.328 8.427 -7.715 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.010 7.954 -5.111 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.296 7.411 -4.708 1.00 0.00 C ATOM 1382 C ASN A 90 -7.092 6.019 -4.109 1.00 0.00 C ATOM 1383 O ASN A 90 -5.960 5.606 -3.860 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.236 7.277 -5.907 1.00 0.00 C ATOM 1385 CG ASN A 90 -8.348 8.600 -6.668 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -7.626 8.863 -7.616 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -9.290 9.414 -6.202 1.00 0.00 N ATOM 0 H ASN A 90 -5.654 7.594 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.736 8.091 -3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.869 6.499 -6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.223 6.965 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.443 10.321 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.859 9.131 -5.404 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.205 5.332 -3.895 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.162 3.995 -3.330 1.00 0.00 C ATOM 1396 C LYS A 91 -7.878 2.984 -4.443 1.00 0.00 C ATOM 1397 O LYS A 91 -7.215 1.974 -4.214 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.444 3.703 -2.546 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.659 3.669 -3.476 1.00 0.00 C ATOM 1400 CD LYS A 91 -11.882 3.096 -2.758 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.096 4.012 -2.928 1.00 0.00 C ATOM 1402 NZ LYS A 91 -14.102 3.381 -3.812 1.00 0.00 N ATOM 0 H LYS A 91 -9.142 5.677 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.349 3.912 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.349 2.748 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.588 4.466 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.879 4.676 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.432 3.065 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.110 2.106 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.661 2.972 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.539 4.222 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.782 4.967 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.940 3.993 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.697 3.249 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.377 2.457 -3.421 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.395 3.291 -5.623 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.205 2.423 -6.772 1.00 0.00 C ATOM 1418 C ASP A 92 -6.710 2.168 -6.973 1.00 0.00 C ATOM 1419 O ASP A 92 -6.312 1.082 -7.389 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.750 3.069 -8.048 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.490 2.117 -8.990 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -8.988 0.986 -9.163 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -10.540 2.543 -9.516 1.00 0.00 O ATOM 0 H ASP A 92 -8.946 4.129 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.740 1.492 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.426 3.877 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.920 3.521 -8.591 1.00 0.00 H new ATOM 1428 N TRP A 93 -5.922 3.189 -6.666 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.480 3.089 -6.807 1.00 0.00 C ATOM 1430 C TRP A 93 -3.962 2.148 -5.718 1.00 0.00 C ATOM 1431 O TRP A 93 -2.968 1.451 -5.916 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.828 4.473 -6.762 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.299 4.439 -6.713 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.439 4.526 -7.737 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.479 4.305 -5.533 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.130 4.457 -7.305 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.155 4.319 -5.923 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.844 4.175 -4.182 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.910 4.208 -5.021 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.767 4.065 -3.293 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.571 4.078 -3.669 1.00 0.00 C ATOM 0 H TRP A 93 -6.256 4.089 -6.320 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.215 2.674 -7.779 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.141 5.039 -7.639 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.198 5.009 -5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -1.733 4.636 -8.770 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.703 4.500 -7.893 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.873 4.161 -3.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.938 4.222 -5.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.992 3.963 -2.242 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.345 3.988 -2.922 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.659 2.159 -4.591 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.282 1.315 -3.470 1.00 0.00 C ATOM 1454 C ILE A 94 -4.741 -0.119 -3.739 1.00 0.00 C ATOM 1455 O ILE A 94 -3.942 -1.052 -3.677 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.816 1.895 -2.159 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.548 3.400 -2.075 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.246 1.144 -0.954 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.497 4.071 -1.080 1.00 0.00 C ATOM 0 H ILE A 94 -5.483 2.739 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.198 1.288 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.897 1.759 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.515 3.573 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.670 3.850 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.642 1.577 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.530 0.093 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.159 1.226 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.285 5.140 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.528 3.917 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.355 3.635 -0.091 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.026 -0.250 -4.033 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.601 -1.555 -4.313 1.00 0.00 C ATOM 1473 C LYS A 95 -5.620 -2.369 -5.159 1.00 0.00 C ATOM 1474 O LYS A 95 -5.598 -3.596 -5.082 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.984 -1.406 -4.948 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.946 -0.682 -4.004 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.398 -0.876 -4.446 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.570 -0.537 -5.928 1.00 0.00 C ATOM 1479 NZ LYS A 95 -11.921 -0.923 -6.394 1.00 0.00 N ATOM 0 H LYS A 95 -6.686 0.526 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.759 -2.108 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.901 -0.852 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.383 -2.390 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.818 -1.059 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.708 0.381 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.701 -1.908 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.052 -0.243 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.417 0.531 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.814 -1.056 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.021 -0.686 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.054 -1.946 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.638 -0.408 -5.844 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.832 -1.652 -5.948 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.852 -2.292 -6.808 1.00 0.00 C ATOM 1495 C GLU A 96 -2.617 -2.695 -5.998 1.00 0.00 C ATOM 1496 O GLU A 96 -2.310 -3.879 -5.876 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.468 -1.381 -7.975 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.676 -1.098 -8.870 1.00 0.00 C ATOM 1499 CD GLU A 96 -4.899 -2.237 -9.867 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -5.203 -3.354 -9.395 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -4.761 -1.965 -11.079 1.00 0.00 O ATOM 0 H GLU A 96 -4.853 -0.634 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.299 -3.194 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.067 -0.443 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.678 -1.849 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.567 -0.969 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.523 -0.163 -9.409 1.00 0.00 H new ATOM 1508 N LYS A 97 -1.944 -1.686 -5.465 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.750 -1.919 -4.670 1.00 0.00 C ATOM 1510 C LYS A 97 -1.011 -3.066 -3.691 1.00 0.00 C ATOM 1511 O LYS A 97 -0.225 -4.009 -3.611 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.295 -0.625 -3.993 1.00 0.00 C ATOM 1513 CG LYS A 97 1.059 -0.168 -4.538 1.00 0.00 C ATOM 1514 CD LYS A 97 0.983 0.101 -6.043 1.00 0.00 C ATOM 1515 CE LYS A 97 0.362 1.472 -6.323 1.00 0.00 C ATOM 1516 NZ LYS A 97 1.196 2.231 -7.282 1.00 0.00 N ATOM 0 H LYS A 97 -2.203 -0.705 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 97 0.079 -2.225 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.038 0.155 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.224 -0.779 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.377 0.736 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.811 -0.931 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.982 0.055 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.391 -0.676 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.643 1.347 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.266 2.032 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.292 3.214 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.138 1.794 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.745 2.219 -8.219 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.118 -2.948 -2.972 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.492 -3.963 -2.002 1.00 0.00 C ATOM 1532 C ILE A 98 -2.604 -5.317 -2.705 1.00 0.00 C ATOM 1533 O ILE A 98 -2.170 -6.336 -2.170 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.762 -3.550 -1.257 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.300 -4.703 -0.408 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.817 -3.013 -2.227 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.485 -4.249 0.447 1.00 0.00 C ATOM 0 H ILE A 98 -2.768 -2.165 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.721 -4.063 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.508 -2.739 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.608 -5.523 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.508 -5.085 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.710 -2.727 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.421 -2.143 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.073 -3.787 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.848 -5.088 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.168 -3.445 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.285 -3.890 -0.201 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.189 -5.285 -3.893 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.364 -6.497 -4.675 1.00 0.00 C ATOM 1551 C TYR A 99 -2.016 -7.046 -5.144 1.00 0.00 C ATOM 1552 O TYR A 99 -1.672 -8.191 -4.852 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.190 -6.094 -5.898 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.751 -6.774 -7.197 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -4.252 -8.016 -7.529 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -2.854 -6.144 -8.036 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.838 -8.656 -8.751 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -2.441 -6.784 -9.258 1.00 0.00 C ATOM 1559 CZ TYR A 99 -2.953 -8.008 -9.555 1.00 0.00 C ATOM 1560 OH TYR A 99 -2.563 -8.612 -10.710 1.00 0.00 O ATOM 0 H TYR A 99 -3.548 -4.438 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.848 -7.271 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.237 -6.332 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.127 -5.013 -6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -4.954 -8.508 -6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.462 -5.172 -7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.222 -9.628 -9.023 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.740 -6.302 -9.924 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.930 -8.033 -11.184 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.287 -6.205 -5.863 1.00 0.00 N ATOM 1571 CA VAL A 100 0.016 -6.592 -6.375 1.00 0.00 C ATOM 1572 C VAL A 100 0.953 -6.888 -5.201 1.00 0.00 C ATOM 1573 O VAL A 100 1.912 -7.645 -5.344 1.00 0.00 O ATOM 1574 CB VAL A 100 0.554 -5.508 -7.310 1.00 0.00 C ATOM 1575 CG1 VAL A 100 0.571 -4.144 -6.617 1.00 0.00 C ATOM 1576 CG2 VAL A 100 1.945 -5.875 -7.833 1.00 0.00 C ATOM 0 H VAL A 100 -1.575 -5.256 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.062 -7.504 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.118 -5.440 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.958 -3.392 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.442 -3.875 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.209 -4.192 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.304 -5.087 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.632 -5.985 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.891 -6.815 -8.383 1.00 0.00 H new ATOM 1586 N LEU A 101 0.642 -6.275 -4.069 1.00 0.00 N ATOM 1587 CA LEU A 101 1.444 -6.464 -2.872 1.00 0.00 C ATOM 1588 C LEU A 101 1.505 -7.955 -2.533 1.00 0.00 C ATOM 1589 O LEU A 101 2.525 -8.444 -2.050 1.00 0.00 O ATOM 1590 CB LEU A 101 0.913 -5.595 -1.729 1.00 0.00 C ATOM 1591 CG LEU A 101 1.261 -6.062 -0.314 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.560 -5.416 0.172 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.099 -5.808 0.648 1.00 0.00 C ATOM 0 H LEU A 101 -0.154 -5.647 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 101 2.468 -6.134 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.296 -4.583 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.172 -5.539 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 101 1.427 -7.139 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.785 -5.765 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.375 -5.691 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.447 -4.332 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.372 -6.149 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.123 -4.741 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.781 -6.353 0.307 1.00 0.00 H new ATOM 1605 N LEU A 102 0.400 -8.635 -2.800 1.00 0.00 N ATOM 1606 CA LEU A 102 0.315 -10.060 -2.530 1.00 0.00 C ATOM 1607 C LEU A 102 0.882 -10.835 -3.720 1.00 0.00 C ATOM 1608 O LEU A 102 1.477 -11.898 -3.548 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.119 -10.452 -2.167 1.00 0.00 C ATOM 1610 CG LEU A 102 -1.710 -9.767 -0.933 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -0.610 -9.140 -0.074 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -2.778 -8.747 -1.331 1.00 0.00 C ATOM 0 H LEU A 102 -0.444 -8.226 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 102 0.921 -10.320 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.761 -10.235 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.151 -11.530 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.201 -10.526 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.057 -8.660 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.081 -9.916 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.069 -8.397 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.182 -8.275 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.334 -7.987 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.581 -9.252 -1.868 1.00 0.00 H new ATOM 1624 N ARG A 103 0.677 -10.274 -4.903 1.00 0.00 N ATOM 1625 CA ARG A 103 1.161 -10.899 -6.122 1.00 0.00 C ATOM 1626 C ARG A 103 2.669 -11.141 -6.033 1.00 0.00 C ATOM 1627 O ARG A 103 3.154 -12.204 -6.416 1.00 0.00 O ATOM 1628 CB ARG A 103 0.862 -10.027 -7.344 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.639 -9.762 -7.475 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.377 -11.014 -7.954 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.540 -11.755 -8.923 1.00 0.00 N ATOM 1632 CZ ARG A 103 0.016 -12.949 -8.677 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -0.173 -13.544 -7.492 1.00 0.00 N ATOM 1634 NH2 ARG A 103 0.760 -13.548 -9.617 1.00 0.00 N ATOM 0 H ARG A 103 0.182 -9.393 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 103 0.643 -11.852 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.396 -9.080 -7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.228 -10.520 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.041 -9.444 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.808 -8.945 -8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.616 -11.653 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.323 -10.734 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.376 -11.330 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.740 -13.088 -6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.250 -14.453 -7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.903 -13.095 -10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.183 -14.457 -9.430 1.00 0.00 H new ATOM 1648 N ARG A 104 3.368 -10.136 -5.525 1.00 0.00 N ATOM 1649 CA ARG A 104 4.811 -10.226 -5.380 1.00 0.00 C ATOM 1650 C ARG A 104 5.170 -11.101 -4.177 1.00 0.00 C ATOM 1651 O ARG A 104 6.013 -11.991 -4.282 1.00 0.00 O ATOM 1652 CB ARG A 104 5.434 -8.841 -5.200 1.00 0.00 C ATOM 1653 CG ARG A 104 4.964 -8.194 -3.895 1.00 0.00 C ATOM 1654 CD ARG A 104 5.323 -6.707 -3.860 1.00 0.00 C ATOM 1655 NE ARG A 104 6.528 -6.497 -3.028 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.239 -5.361 -3.008 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.869 -4.326 -3.774 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.319 -5.260 -2.222 1.00 0.00 N ATOM 0 H ARG A 104 2.962 -9.255 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 104 5.209 -10.674 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.521 -8.925 -5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.165 -8.205 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.885 -8.314 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.423 -8.703 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.502 -6.344 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.489 -6.132 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 104 6.837 -7.265 -2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.046 -4.403 -4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.410 -3.461 -3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.601 -6.048 -1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.860 -4.395 -2.207 1.00 0.00 H new ATOM 1672 N GLN A 105 4.513 -10.816 -3.062 1.00 0.00 N ATOM 1673 CA GLN A 105 4.753 -11.566 -1.841 1.00 0.00 C ATOM 1674 C GLN A 105 4.805 -13.065 -2.140 1.00 0.00 C ATOM 1675 O GLN A 105 5.560 -13.802 -1.506 1.00 0.00 O ATOM 1676 CB GLN A 105 3.687 -11.253 -0.788 1.00 0.00 C ATOM 1677 CG GLN A 105 4.098 -10.054 0.069 1.00 0.00 C ATOM 1678 CD GLN A 105 3.829 -10.321 1.551 1.00 0.00 C ATOM 1679 OE1 GLN A 105 4.225 -11.332 2.108 1.00 0.00 O ATOM 1680 NE2 GLN A 105 3.135 -9.362 2.157 1.00 0.00 N ATOM 0 H GLN A 105 3.815 -10.077 -2.979 1.00 0.00 H new ATOM 0 HA GLN A 105 5.718 -11.263 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.736 -11.045 -1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.533 -12.124 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.157 -9.842 -0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.548 -9.169 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.834 -8.541 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.904 -9.447 3.147 1.00 0.00 H new