USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 948 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 37 CYS SG : rot 125:sc= -1.27! USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -1.06! C(o=-3!,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0676 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.1!) USER MOD Single : A 26 MET CE :methyl 164:sc=-0.000651 (180deg=-0.1) USER MOD Single : A 30 TYR OH : rot -108:sc= 0.678 USER MOD Single : A 34 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 38 GLN : amide:sc= -0.0361 K(o=-0.036,f=-0.82) USER MOD Single : A 39 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.4) USER MOD Single : A 46 SER OG : rot 160:sc= -1.82 USER MOD Single : A 57 ASN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.4) USER MOD Single : A 70 SER OG : rot -75:sc= 1.17 USER MOD Single : A 76 ASN : amide:sc= 0.586 K(o=0.59,f=-9.9!) USER MOD Single : A 80 THR OG1 : rot 125:sc= 1.1 USER MOD Single : A 82 TYR OH : rot 30:sc= -1.54 USER MOD Single : A 83 HIS :FLIP no HE2:sc= 0.0617 F(o=-0.49,f=0.062) USER MOD Single : A 84 CYS SG : rot 102:sc= 0.129! USER MOD Single : A 85 LYS NZ :NH3+ -114:sc= 0.593 (180deg=-0.824) USER MOD Single : A 92 TYR OH : rot 52:sc= 0.703 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= -0.066 (180deg=-0.832) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.555 F(o=-1.6,f=-0.56) USER MOD Single : A 106 SER OG : rot 180:sc=-0.00292 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -122:sc= 0.238 USER MOD Single : A 124 SER OG : rot -55:sc= 0.0165 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.590 -18.058 10.379 1.00 0.00 N ATOM 2 CA GLY A 1 -10.913 -16.668 10.117 1.00 0.00 C ATOM 3 C GLY A 1 -12.062 -16.514 9.140 1.00 0.00 C ATOM 4 O GLY A 1 -12.417 -17.459 8.435 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.819 -18.287 11.367 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.144 -18.669 9.745 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.576 -18.216 10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.169 -16.175 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.033 -16.162 9.721 1.00 0.00 H new ATOM 8 N SER A 2 -12.645 -15.321 9.098 1.00 0.00 N ATOM 9 CA SER A 2 -13.765 -15.048 8.204 1.00 0.00 C ATOM 10 C SER A 2 -13.268 -14.587 6.837 1.00 0.00 C ATOM 11 O SER A 2 -12.173 -14.039 6.714 1.00 0.00 O ATOM 12 CB SER A 2 -14.682 -13.984 8.811 1.00 0.00 C ATOM 13 OG SER A 2 -14.038 -12.723 8.859 1.00 0.00 O ATOM 0 H SER A 2 -12.361 -14.527 9.672 1.00 0.00 H new ATOM 0 HA SER A 2 -14.329 -15.972 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.595 -13.907 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.976 -14.284 9.817 1.00 0.00 H new ATOM 0 HG SER A 2 -14.645 -12.060 9.249 1.00 0.00 H new ATOM 19 N SER A 3 -14.083 -14.815 5.812 1.00 0.00 N ATOM 20 CA SER A 3 -13.726 -14.428 4.452 1.00 0.00 C ATOM 21 C SER A 3 -14.781 -13.500 3.857 1.00 0.00 C ATOM 22 O SER A 3 -15.977 -13.783 3.914 1.00 0.00 O ATOM 23 CB SER A 3 -13.567 -15.668 3.571 1.00 0.00 C ATOM 24 OG SER A 3 -12.341 -16.328 3.835 1.00 0.00 O ATOM 0 H SER A 3 -14.994 -15.265 5.897 1.00 0.00 H new ATOM 0 HA SER A 3 -12.776 -13.894 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.397 -16.352 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.609 -15.380 2.521 1.00 0.00 H new ATOM 0 HG SER A 3 -12.264 -17.118 3.260 1.00 0.00 H new ATOM 30 N GLY A 4 -14.328 -12.388 3.285 1.00 0.00 N ATOM 31 CA GLY A 4 -15.244 -11.434 2.688 1.00 0.00 C ATOM 32 C GLY A 4 -14.886 -11.107 1.252 1.00 0.00 C ATOM 33 O GLY A 4 -13.752 -11.323 0.823 1.00 0.00 O ATOM 0 H GLY A 4 -13.343 -12.131 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.257 -11.836 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.244 -10.517 3.277 1.00 0.00 H new ATOM 37 N SER A 5 -15.854 -10.586 0.506 1.00 0.00 N ATOM 38 CA SER A 5 -15.637 -10.233 -0.892 1.00 0.00 C ATOM 39 C SER A 5 -15.429 -8.729 -1.047 1.00 0.00 C ATOM 40 O SER A 5 -15.981 -8.106 -1.954 1.00 0.00 O ATOM 41 CB SER A 5 -16.823 -10.686 -1.745 1.00 0.00 C ATOM 42 OG SER A 5 -16.811 -12.091 -1.930 1.00 0.00 O ATOM 0 H SER A 5 -16.797 -10.399 0.846 1.00 0.00 H new ATOM 0 HA SER A 5 -14.737 -10.744 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.755 -10.387 -1.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.789 -10.188 -2.714 1.00 0.00 H new ATOM 0 HG SER A 5 -17.580 -12.356 -2.477 1.00 0.00 H new ATOM 48 N SER A 6 -14.630 -8.154 -0.155 1.00 0.00 N ATOM 49 CA SER A 6 -14.352 -6.723 -0.189 1.00 0.00 C ATOM 50 C SER A 6 -12.948 -6.455 -0.724 1.00 0.00 C ATOM 51 O SER A 6 -12.069 -7.312 -0.649 1.00 0.00 O ATOM 52 CB SER A 6 -14.500 -6.119 1.209 1.00 0.00 C ATOM 53 OG SER A 6 -15.753 -6.455 1.779 1.00 0.00 O ATOM 0 H SER A 6 -14.164 -8.657 0.600 1.00 0.00 H new ATOM 0 HA SER A 6 -15.074 -6.254 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.696 -6.479 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.401 -5.035 1.153 1.00 0.00 H new ATOM 0 HG SER A 6 -15.823 -6.059 2.673 1.00 0.00 H new ATOM 59 N GLY A 7 -12.747 -5.257 -1.266 1.00 0.00 N ATOM 60 CA GLY A 7 -11.449 -4.896 -1.807 1.00 0.00 C ATOM 61 C GLY A 7 -10.306 -5.339 -0.915 1.00 0.00 C ATOM 62 O GLY A 7 -10.345 -5.142 0.299 1.00 0.00 O ATOM 0 H GLY A 7 -13.459 -4.531 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.332 -5.346 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.403 -3.815 -1.942 1.00 0.00 H new ATOM 66 N ASN A 8 -9.286 -5.940 -1.518 1.00 0.00 N ATOM 67 CA ASN A 8 -8.127 -6.414 -0.769 1.00 0.00 C ATOM 68 C ASN A 8 -7.523 -5.290 0.068 1.00 0.00 C ATOM 69 O ASN A 8 -7.097 -5.507 1.202 1.00 0.00 O ATOM 70 CB ASN A 8 -7.072 -6.977 -1.724 1.00 0.00 C ATOM 71 CG ASN A 8 -7.317 -8.435 -2.061 1.00 0.00 C ATOM 72 OD1 ASN A 8 -7.502 -9.266 -1.173 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.318 -8.751 -3.351 1.00 0.00 N ATOM 0 H ASN A 8 -9.238 -6.111 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.459 -7.205 -0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.067 -6.390 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.085 -6.872 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.477 -9.716 -3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.160 -8.028 -4.053 1.00 0.00 H new ATOM 80 N VAL A 9 -7.491 -4.088 -0.500 1.00 0.00 N ATOM 81 CA VAL A 9 -6.942 -2.930 0.194 1.00 0.00 C ATOM 82 C VAL A 9 -7.828 -2.520 1.366 1.00 0.00 C ATOM 83 O VAL A 9 -9.037 -2.347 1.212 1.00 0.00 O ATOM 84 CB VAL A 9 -6.781 -1.730 -0.758 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.194 -0.537 -0.019 1.00 0.00 C ATOM 86 CG2 VAL A 9 -5.915 -2.108 -1.950 1.00 0.00 C ATOM 0 H VAL A 9 -7.839 -3.892 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.961 -3.221 0.569 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.766 -1.448 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.088 0.301 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.857 -0.253 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.216 -0.803 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.812 -1.248 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.930 -2.417 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.382 -2.930 -2.493 1.00 0.00 H new ATOM 96 N ARG A 10 -7.217 -2.366 2.536 1.00 0.00 N ATOM 97 CA ARG A 10 -7.950 -1.977 3.735 1.00 0.00 C ATOM 98 C ARG A 10 -7.920 -0.463 3.923 1.00 0.00 C ATOM 99 O ARG A 10 -6.974 0.206 3.509 1.00 0.00 O ATOM 100 CB ARG A 10 -7.359 -2.666 4.966 1.00 0.00 C ATOM 101 CG ARG A 10 -7.828 -4.101 5.144 1.00 0.00 C ATOM 102 CD ARG A 10 -9.096 -4.173 5.981 1.00 0.00 C ATOM 103 NE ARG A 10 -9.783 -5.452 5.825 1.00 0.00 N ATOM 104 CZ ARG A 10 -9.471 -6.543 6.517 1.00 0.00 C ATOM 105 NH1 ARG A 10 -8.489 -6.509 7.407 1.00 0.00 N ATOM 106 NH2 ARG A 10 -10.142 -7.670 6.319 1.00 0.00 N ATOM 0 H ARG A 10 -6.217 -2.505 2.679 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.987 -2.291 3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.272 -2.655 4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.624 -2.093 5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.010 -4.549 4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.042 -4.685 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.846 -4.021 7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.767 -3.364 5.693 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.544 -5.511 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.971 -5.644 7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.252 -7.348 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.898 -7.700 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.902 -8.507 6.851 1.00 0.00 H new ATOM 120 N VAL A 11 -8.964 0.071 4.550 1.00 0.00 N ATOM 121 CA VAL A 11 -9.057 1.506 4.794 1.00 0.00 C ATOM 122 C VAL A 11 -8.852 1.827 6.270 1.00 0.00 C ATOM 123 O VAL A 11 -9.769 1.688 7.079 1.00 0.00 O ATOM 124 CB VAL A 11 -10.420 2.064 4.343 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.548 3.532 4.721 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.605 1.872 2.845 1.00 0.00 C ATOM 0 H VAL A 11 -9.757 -0.468 4.898 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.267 1.979 4.210 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.207 1.512 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.517 3.909 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.463 3.638 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.755 4.103 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.573 2.272 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.813 2.397 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.561 0.809 2.606 1.00 0.00 H new ATOM 136 N ILE A 12 -7.642 2.258 6.613 1.00 0.00 N ATOM 137 CA ILE A 12 -7.317 2.600 7.991 1.00 0.00 C ATOM 138 C ILE A 12 -7.836 3.989 8.350 1.00 0.00 C ATOM 139 O ILE A 12 -7.856 4.892 7.513 1.00 0.00 O ATOM 140 CB ILE A 12 -5.798 2.553 8.240 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.276 1.124 8.073 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.471 3.083 9.628 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.971 0.119 8.965 1.00 0.00 C ATOM 0 H ILE A 12 -6.872 2.378 5.955 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.804 1.857 8.623 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.305 3.189 7.505 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.398 0.820 7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.207 1.109 8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.394 3.043 9.788 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.813 4.115 9.713 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.972 2.472 10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.550 -0.872 8.793 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.827 0.398 10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.037 0.105 8.736 1.00 0.00 H new ATOM 155 N THR A 13 -8.255 4.153 9.601 1.00 0.00 N ATOM 156 CA THR A 13 -8.774 5.431 10.071 1.00 0.00 C ATOM 157 C THR A 13 -8.046 5.890 11.330 1.00 0.00 C ATOM 158 O THR A 13 -7.085 5.257 11.768 1.00 0.00 O ATOM 159 CB THR A 13 -10.284 5.350 10.366 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.587 4.121 11.035 1.00 0.00 O ATOM 161 CG2 THR A 13 -11.092 5.448 9.081 1.00 0.00 C ATOM 0 H THR A 13 -8.245 3.417 10.307 1.00 0.00 H new ATOM 0 HA THR A 13 -8.605 6.154 9.273 1.00 0.00 H new ATOM 0 HB THR A 13 -10.552 6.188 11.009 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.548 4.078 11.221 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.155 5.388 9.314 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.881 6.398 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.820 4.628 8.417 1.00 0.00 H new ATOM 169 N ASP A 14 -8.509 6.994 11.906 1.00 0.00 N ATOM 170 CA ASP A 14 -7.903 7.537 13.116 1.00 0.00 C ATOM 171 C ASP A 14 -8.150 6.617 14.308 1.00 0.00 C ATOM 172 O ASP A 14 -7.691 6.887 15.417 1.00 0.00 O ATOM 173 CB ASP A 14 -8.459 8.931 13.409 1.00 0.00 C ATOM 174 CG ASP A 14 -7.719 9.625 14.536 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.491 9.814 14.412 1.00 0.00 O ATOM 176 OD2 ASP A 14 -8.368 9.978 15.542 1.00 0.00 O ATOM 0 H ASP A 14 -9.302 7.530 11.554 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.828 7.610 12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.396 9.541 12.508 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.515 8.851 13.667 1.00 0.00 H new ATOM 181 N GLU A 15 -8.877 5.530 14.069 1.00 0.00 N ATOM 182 CA GLU A 15 -9.186 4.572 15.124 1.00 0.00 C ATOM 183 C GLU A 15 -8.557 3.214 14.826 1.00 0.00 C ATOM 184 O GLU A 15 -7.976 2.580 15.706 1.00 0.00 O ATOM 185 CB GLU A 15 -10.701 4.422 15.280 1.00 0.00 C ATOM 186 CG GLU A 15 -11.309 5.393 16.277 1.00 0.00 C ATOM 187 CD GLU A 15 -11.641 6.736 15.656 1.00 0.00 C ATOM 188 OE1 GLU A 15 -12.304 6.753 14.598 1.00 0.00 O ATOM 189 OE2 GLU A 15 -11.239 7.770 16.228 1.00 0.00 O ATOM 0 H GLU A 15 -9.262 5.291 13.155 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.768 4.950 16.057 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.174 4.568 14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.926 3.403 15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.216 4.957 16.696 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.614 5.541 17.104 1.00 0.00 H new ATOM 196 N ASN A 16 -8.679 2.773 13.578 1.00 0.00 N ATOM 197 CA ASN A 16 -8.125 1.489 13.163 1.00 0.00 C ATOM 198 C ASN A 16 -6.599 1.530 13.165 1.00 0.00 C ATOM 199 O ASN A 16 -5.941 0.498 13.301 1.00 0.00 O ATOM 200 CB ASN A 16 -8.634 1.116 11.770 1.00 0.00 C ATOM 201 CG ASN A 16 -9.824 0.178 11.822 1.00 0.00 C ATOM 202 OD1 ASN A 16 -10.358 -0.107 12.894 1.00 0.00 O ATOM 203 ND2 ASN A 16 -10.246 -0.308 10.660 1.00 0.00 N ATOM 0 H ASN A 16 -9.156 3.286 12.837 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.452 0.732 13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.913 2.023 11.233 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.829 0.646 11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.043 -0.944 10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.773 -0.045 9.795 1.00 0.00 H new ATOM 210 N TRP A 17 -6.045 2.727 13.015 1.00 0.00 N ATOM 211 CA TRP A 17 -4.597 2.902 13.000 1.00 0.00 C ATOM 212 C TRP A 17 -3.925 1.961 13.993 1.00 0.00 C ATOM 213 O TRP A 17 -2.997 1.233 13.641 1.00 0.00 O ATOM 214 CB TRP A 17 -4.235 4.352 13.326 1.00 0.00 C ATOM 215 CG TRP A 17 -4.093 4.612 14.795 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.997 5.235 15.608 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.981 4.259 15.625 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.514 5.290 16.893 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.280 4.697 16.930 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.764 3.613 15.393 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.404 4.510 17.996 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.896 3.429 16.452 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.219 3.875 17.740 1.00 0.00 C ATOM 0 H TRP A 17 -6.576 3.591 12.902 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.237 2.661 12.000 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.300 4.607 12.827 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -5.003 5.011 12.920 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.951 5.627 15.288 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.996 5.705 17.690 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.507 3.264 14.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.651 4.854 18.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.048 2.933 16.284 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.519 3.715 18.547 1.00 0.00 H new ATOM 234 N ARG A 18 -4.398 1.981 15.234 1.00 0.00 N ATOM 235 CA ARG A 18 -3.841 1.129 16.278 1.00 0.00 C ATOM 236 C ARG A 18 -3.617 -0.289 15.761 1.00 0.00 C ATOM 237 O ARG A 18 -2.531 -0.848 15.909 1.00 0.00 O ATOM 238 CB ARG A 18 -4.772 1.100 17.492 1.00 0.00 C ATOM 239 CG ARG A 18 -4.888 2.438 18.203 1.00 0.00 C ATOM 240 CD ARG A 18 -5.817 2.352 19.404 1.00 0.00 C ATOM 241 NE ARG A 18 -7.172 1.964 19.021 1.00 0.00 N ATOM 242 CZ ARG A 18 -8.181 1.872 19.880 1.00 0.00 C ATOM 243 NH1 ARG A 18 -7.989 2.140 21.164 1.00 0.00 N ATOM 244 NH2 ARG A 18 -9.385 1.513 19.455 1.00 0.00 N ATOM 0 H ARG A 18 -5.166 2.578 15.542 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.878 1.544 16.576 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.764 0.782 17.171 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.411 0.353 18.199 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.900 2.765 18.528 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.260 3.190 17.507 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.421 1.629 20.118 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.846 3.317 19.910 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.353 1.752 18.040 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.065 2.418 21.494 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.765 2.069 21.822 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.537 1.307 18.468 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.159 1.443 20.116 1.00 0.00 H new ATOM 258 N GLU A 19 -4.652 -0.863 15.155 1.00 0.00 N ATOM 259 CA GLU A 19 -4.567 -2.216 14.618 1.00 0.00 C ATOM 260 C GLU A 19 -3.245 -2.428 13.886 1.00 0.00 C ATOM 261 O GLU A 19 -2.691 -3.529 13.888 1.00 0.00 O ATOM 262 CB GLU A 19 -5.737 -2.486 13.670 1.00 0.00 C ATOM 263 CG GLU A 19 -7.072 -2.635 14.378 1.00 0.00 C ATOM 264 CD GLU A 19 -7.229 -1.671 15.538 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.516 -1.840 16.550 1.00 0.00 O ATOM 266 OE2 GLU A 19 -8.063 -0.748 15.435 1.00 0.00 O ATOM 0 H GLU A 19 -5.558 -0.413 15.024 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.616 -2.915 15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.806 -1.670 12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.532 -3.394 13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.878 -2.471 13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.173 -3.657 14.744 1.00 0.00 H new ATOM 273 N LEU A 20 -2.745 -1.369 13.260 1.00 0.00 N ATOM 274 CA LEU A 20 -1.488 -1.438 12.522 1.00 0.00 C ATOM 275 C LEU A 20 -0.368 -1.977 13.406 1.00 0.00 C ATOM 276 O LEU A 20 0.451 -2.785 12.965 1.00 0.00 O ATOM 277 CB LEU A 20 -1.111 -0.056 11.987 1.00 0.00 C ATOM 278 CG LEU A 20 -2.073 0.554 10.967 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.714 2.007 10.697 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.059 -0.249 9.674 1.00 0.00 C ATOM 0 H LEU A 20 -3.191 -0.452 13.248 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.624 -2.120 11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.027 0.628 12.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.123 -0.122 11.531 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.080 0.521 11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.409 2.424 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.776 2.576 11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.699 2.064 10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.749 0.200 8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.052 -0.248 9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.365 -1.275 9.879 1.00 0.00 H new ATOM 292 N LEU A 21 -0.337 -1.526 14.655 1.00 0.00 N ATOM 293 CA LEU A 21 0.682 -1.965 15.602 1.00 0.00 C ATOM 294 C LEU A 21 0.688 -3.485 15.731 1.00 0.00 C ATOM 295 O LEU A 21 1.676 -4.076 16.163 1.00 0.00 O ATOM 296 CB LEU A 21 0.441 -1.326 16.972 1.00 0.00 C ATOM 297 CG LEU A 21 0.319 0.198 16.990 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.077 0.685 18.375 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.625 0.843 16.549 1.00 0.00 C ATOM 0 H LEU A 21 -1.006 -0.856 15.036 1.00 0.00 H new ATOM 0 HA LEU A 21 1.654 -1.648 15.225 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.472 -1.748 17.392 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.259 -1.613 17.633 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.462 0.489 16.288 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.159 1.772 18.369 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.037 0.250 18.653 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.681 0.382 19.098 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.520 1.928 16.568 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.425 0.544 17.226 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.867 0.520 15.537 1.00 0.00 H new ATOM 311 N GLU A 22 -0.422 -4.110 15.351 1.00 0.00 N ATOM 312 CA GLU A 22 -0.543 -5.561 15.423 1.00 0.00 C ATOM 313 C GLU A 22 -0.274 -6.198 14.062 1.00 0.00 C ATOM 314 O GLU A 22 -0.864 -5.809 13.055 1.00 0.00 O ATOM 315 CB GLU A 22 -1.937 -5.955 15.916 1.00 0.00 C ATOM 316 CG GLU A 22 -2.331 -5.289 17.224 1.00 0.00 C ATOM 317 CD GLU A 22 -3.722 -5.681 17.682 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.525 -6.122 16.833 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.007 -5.548 18.891 1.00 0.00 O ATOM 0 H GLU A 22 -1.249 -3.635 14.991 1.00 0.00 H new ATOM 0 HA GLU A 22 0.202 -5.927 16.130 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.670 -5.697 15.152 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.976 -7.037 16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.609 -5.557 17.996 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.283 -4.207 17.105 1.00 0.00 H new ATOM 326 N GLY A 23 0.623 -7.179 14.041 1.00 0.00 N ATOM 327 CA GLY A 23 0.955 -7.854 12.800 1.00 0.00 C ATOM 328 C GLY A 23 1.497 -6.904 11.751 1.00 0.00 C ATOM 329 O GLY A 23 1.631 -5.705 11.999 1.00 0.00 O ATOM 0 H GLY A 23 1.126 -7.518 14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.693 -8.631 12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.066 -8.351 12.411 1.00 0.00 H new ATOM 333 N ASP A 24 1.812 -7.439 10.577 1.00 0.00 N ATOM 334 CA ASP A 24 2.344 -6.630 9.486 1.00 0.00 C ATOM 335 C ASP A 24 1.238 -5.813 8.826 1.00 0.00 C ATOM 336 O ASP A 24 0.099 -6.268 8.715 1.00 0.00 O ATOM 337 CB ASP A 24 3.026 -7.522 8.447 1.00 0.00 C ATOM 338 CG ASP A 24 4.320 -8.123 8.959 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.291 -8.774 10.024 1.00 0.00 O ATOM 340 OD2 ASP A 24 5.361 -7.942 8.294 1.00 0.00 O ATOM 0 H ASP A 24 1.708 -8.429 10.356 1.00 0.00 H new ATOM 0 HA ASP A 24 3.080 -5.942 9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.346 -8.323 8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.230 -6.938 7.549 1.00 0.00 H new ATOM 345 N TRP A 25 1.580 -4.605 8.392 1.00 0.00 N ATOM 346 CA TRP A 25 0.615 -3.724 7.744 1.00 0.00 C ATOM 347 C TRP A 25 1.307 -2.796 6.752 1.00 0.00 C ATOM 348 O TRP A 25 2.180 -2.013 7.125 1.00 0.00 O ATOM 349 CB TRP A 25 -0.138 -2.902 8.791 1.00 0.00 C ATOM 350 CG TRP A 25 -1.209 -3.677 9.497 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.036 -4.578 10.509 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.617 -3.621 9.243 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.252 -5.086 10.899 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.237 -4.514 10.139 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.413 -2.902 8.348 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.616 -4.706 10.162 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.782 -3.094 8.373 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.372 -3.989 9.275 1.00 0.00 C ATOM 0 H TRP A 25 2.518 -4.213 8.477 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.097 -4.343 7.198 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.573 -2.525 9.527 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.586 -2.034 8.307 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.084 -4.851 10.939 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.397 -5.777 11.635 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.967 -2.209 7.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.073 -5.397 10.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.407 -2.544 7.685 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.445 -4.116 9.270 1.00 0.00 H new ATOM 369 N MET A 26 0.910 -2.889 5.486 1.00 0.00 N ATOM 370 CA MET A 26 1.492 -2.055 4.441 1.00 0.00 C ATOM 371 C MET A 26 0.610 -0.843 4.158 1.00 0.00 C ATOM 372 O MET A 26 -0.498 -0.978 3.639 1.00 0.00 O ATOM 373 CB MET A 26 1.687 -2.868 3.160 1.00 0.00 C ATOM 374 CG MET A 26 2.947 -3.719 3.166 1.00 0.00 C ATOM 375 SD MET A 26 4.453 -2.730 3.100 1.00 0.00 S ATOM 376 CE MET A 26 4.677 -2.572 1.330 1.00 0.00 C ATOM 0 H MET A 26 0.189 -3.533 5.160 1.00 0.00 H new ATOM 0 HA MET A 26 2.462 -1.702 4.791 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.822 -3.515 3.015 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.722 -2.187 2.309 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.961 -4.335 4.065 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.926 -4.399 2.314 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.383 -1.768 1.123 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.064 -3.508 0.927 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.720 -2.344 0.861 1.00 0.00 H new ATOM 386 N ILE A 27 1.109 0.339 4.504 1.00 0.00 N ATOM 387 CA ILE A 27 0.366 1.574 4.286 1.00 0.00 C ATOM 388 C ILE A 27 0.981 2.394 3.158 1.00 0.00 C ATOM 389 O ILE A 27 2.190 2.349 2.933 1.00 0.00 O ATOM 390 CB ILE A 27 0.316 2.434 5.563 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.034 1.567 6.774 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.691 3.563 5.403 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.474 2.126 8.085 1.00 0.00 C ATOM 0 H ILE A 27 2.024 0.467 4.936 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.649 1.287 4.011 1.00 0.00 H new ATOM 0 HB ILE A 27 1.300 2.873 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.117 1.457 6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.381 0.570 6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.714 4.161 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.401 4.193 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.680 3.145 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.189 1.460 8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.560 2.210 8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.039 3.111 8.253 1.00 0.00 H new ATOM 405 N GLU A 28 0.141 3.145 2.452 1.00 0.00 N ATOM 406 CA GLU A 28 0.603 3.977 1.348 1.00 0.00 C ATOM 407 C GLU A 28 -0.155 5.301 1.309 1.00 0.00 C ATOM 408 O GLU A 28 -1.329 5.346 0.943 1.00 0.00 O ATOM 409 CB GLU A 28 0.432 3.239 0.018 1.00 0.00 C ATOM 410 CG GLU A 28 -1.007 2.855 -0.284 1.00 0.00 C ATOM 411 CD GLU A 28 -1.732 3.905 -1.102 1.00 0.00 C ATOM 412 OE1 GLU A 28 -1.056 4.805 -1.644 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.974 3.829 -1.199 1.00 0.00 O ATOM 0 H GLU A 28 -0.863 3.194 2.625 1.00 0.00 H new ATOM 0 HA GLU A 28 1.661 4.189 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.808 3.869 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.045 2.338 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.021 1.907 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.541 2.697 0.653 1.00 0.00 H new ATOM 420 N PHE A 29 0.526 6.377 1.690 1.00 0.00 N ATOM 421 CA PHE A 29 -0.083 7.702 1.700 1.00 0.00 C ATOM 422 C PHE A 29 -0.164 8.274 0.288 1.00 0.00 C ATOM 423 O PHE A 29 0.857 8.565 -0.335 1.00 0.00 O ATOM 424 CB PHE A 29 0.717 8.646 2.600 1.00 0.00 C ATOM 425 CG PHE A 29 0.589 8.331 4.063 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.281 7.268 4.620 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.224 9.098 4.882 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.166 6.975 5.966 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.343 8.811 6.229 1.00 0.00 C ATOM 430 CZ PHE A 29 0.352 7.748 6.771 1.00 0.00 C ATOM 0 H PHE A 29 1.499 6.357 1.996 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.095 7.607 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.769 8.600 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.384 9.669 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.918 6.660 3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.771 9.930 4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.711 6.143 6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.979 9.418 6.857 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.259 7.521 7.823 1.00 0.00 H new ATOM 440 N TYR A 30 -1.385 8.433 -0.210 1.00 0.00 N ATOM 441 CA TYR A 30 -1.601 8.967 -1.549 1.00 0.00 C ATOM 442 C TYR A 30 -2.515 10.188 -1.508 1.00 0.00 C ATOM 443 O TYR A 30 -3.038 10.550 -0.455 1.00 0.00 O ATOM 444 CB TYR A 30 -2.204 7.895 -2.458 1.00 0.00 C ATOM 445 CG TYR A 30 -3.695 7.718 -2.279 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.596 8.568 -2.908 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.202 6.699 -1.482 1.00 0.00 C ATOM 448 CE1 TYR A 30 -5.959 8.411 -2.746 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.564 6.533 -1.316 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.438 7.391 -1.950 1.00 0.00 C ATOM 451 OH TYR A 30 -7.795 7.230 -1.787 1.00 0.00 O ATOM 0 H TYR A 30 -2.241 8.200 0.294 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.635 9.272 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.000 8.154 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.708 6.944 -2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.224 9.365 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.520 6.025 -0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.646 9.083 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.942 5.736 -0.693 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.049 7.495 -0.878 1.00 0.00 H new ATOM 461 N ALA A 31 -2.703 10.817 -2.663 1.00 0.00 N ATOM 462 CA ALA A 31 -3.556 11.995 -2.761 1.00 0.00 C ATOM 463 C ALA A 31 -4.320 12.012 -4.081 1.00 0.00 C ATOM 464 O ALA A 31 -3.781 11.694 -5.141 1.00 0.00 O ATOM 465 CB ALA A 31 -2.726 13.262 -2.613 1.00 0.00 C ATOM 0 H ALA A 31 -2.276 10.531 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.284 11.954 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.376 14.134 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.231 13.261 -1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.976 13.300 -3.403 1.00 0.00 H new ATOM 471 N PRO A 32 -5.605 12.392 -4.017 1.00 0.00 N ATOM 472 CA PRO A 32 -6.469 12.459 -5.199 1.00 0.00 C ATOM 473 C PRO A 32 -6.079 13.593 -6.140 1.00 0.00 C ATOM 474 O PRO A 32 -6.602 13.701 -7.249 1.00 0.00 O ATOM 475 CB PRO A 32 -7.859 12.708 -4.608 1.00 0.00 C ATOM 476 CG PRO A 32 -7.600 13.369 -3.298 1.00 0.00 C ATOM 477 CD PRO A 32 -6.312 12.785 -2.787 1.00 0.00 C ATOM 0 HA PRO A 32 -6.403 11.554 -5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.459 13.343 -5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.408 11.775 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.519 14.450 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.416 13.185 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.741 13.513 -2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.489 11.930 -2.135 1.00 0.00 H new ATOM 485 N TRP A 33 -5.157 14.437 -5.690 1.00 0.00 N ATOM 486 CA TRP A 33 -4.696 15.564 -6.493 1.00 0.00 C ATOM 487 C TRP A 33 -3.220 15.416 -6.843 1.00 0.00 C ATOM 488 O TRP A 33 -2.521 16.407 -7.061 1.00 0.00 O ATOM 489 CB TRP A 33 -4.926 16.878 -5.745 1.00 0.00 C ATOM 490 CG TRP A 33 -4.867 16.731 -4.254 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.909 16.837 -3.378 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.704 16.453 -3.466 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.464 16.641 -2.093 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.116 16.403 -2.120 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.356 16.239 -3.767 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.226 16.149 -1.079 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.475 15.988 -2.733 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.912 15.944 -1.402 1.00 0.00 C ATOM 0 H TRP A 33 -4.714 14.362 -4.774 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.270 15.576 -7.419 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.177 17.604 -6.061 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.899 17.282 -6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.932 17.044 -3.654 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.044 16.668 -1.254 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.009 16.269 -4.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.561 16.115 -0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.431 15.823 -2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.198 15.745 -0.616 1.00 0.00 H new ATOM 509 N CYS A 34 -2.751 14.174 -6.896 1.00 0.00 N ATOM 510 CA CYS A 34 -1.355 13.897 -7.219 1.00 0.00 C ATOM 511 C CYS A 34 -1.250 12.984 -8.436 1.00 0.00 C ATOM 512 O CYS A 34 -1.952 11.979 -8.552 1.00 0.00 O ATOM 513 CB CYS A 34 -0.651 13.255 -6.023 1.00 0.00 C ATOM 514 SG CYS A 34 1.124 13.589 -5.945 1.00 0.00 S ATOM 0 H CYS A 34 -3.316 13.343 -6.720 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.867 14.843 -7.454 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.118 13.613 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.806 12.177 -6.060 1.00 0.00 H new ATOM 0 HG CYS A 34 1.630 13.006 -4.899 1.00 0.00 H new ATOM 520 N PRO A 35 -0.355 13.341 -9.368 1.00 0.00 N ATOM 521 CA PRO A 35 -0.137 12.568 -10.595 1.00 0.00 C ATOM 522 C PRO A 35 0.535 11.227 -10.323 1.00 0.00 C ATOM 523 O PRO A 35 0.149 10.203 -10.888 1.00 0.00 O ATOM 524 CB PRO A 35 0.783 13.468 -11.423 1.00 0.00 C ATOM 525 CG PRO A 35 1.492 14.311 -10.420 1.00 0.00 C ATOM 526 CD PRO A 35 0.516 14.527 -9.297 1.00 0.00 C ATOM 0 HA PRO A 35 -1.075 12.321 -11.093 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.486 12.880 -12.013 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.213 14.080 -12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.395 13.816 -10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.801 15.261 -10.857 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.021 14.597 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.050 15.449 -9.428 1.00 0.00 H new ATOM 534 N ALA A 36 1.540 11.239 -9.454 1.00 0.00 N ATOM 535 CA ALA A 36 2.264 10.022 -9.106 1.00 0.00 C ATOM 536 C ALA A 36 1.333 8.991 -8.477 1.00 0.00 C ATOM 537 O ALA A 36 1.422 7.799 -8.771 1.00 0.00 O ATOM 538 CB ALA A 36 3.413 10.344 -8.162 1.00 0.00 C ATOM 0 H ALA A 36 1.872 12.078 -8.978 1.00 0.00 H new ATOM 0 HA ALA A 36 2.670 9.595 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.945 9.427 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.098 11.039 -8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.020 10.797 -7.252 1.00 0.00 H new ATOM 544 N CYS A 37 0.441 9.458 -7.609 1.00 0.00 N ATOM 545 CA CYS A 37 -0.505 8.575 -6.937 1.00 0.00 C ATOM 546 C CYS A 37 -1.317 7.775 -7.950 1.00 0.00 C ATOM 547 O CYS A 37 -1.453 6.558 -7.828 1.00 0.00 O ATOM 548 CB CYS A 37 -1.443 9.386 -6.041 1.00 0.00 C ATOM 549 SG CYS A 37 -3.072 8.638 -5.808 1.00 0.00 S ATOM 0 H CYS A 37 0.354 10.442 -7.355 1.00 0.00 H new ATOM 0 HA CYS A 37 0.062 7.877 -6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.973 9.518 -5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.570 10.380 -6.471 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.310 8.503 -4.537 1.00 0.00 H new ATOM 555 N GLN A 38 -1.855 8.468 -8.949 1.00 0.00 N ATOM 556 CA GLN A 38 -2.656 7.822 -9.982 1.00 0.00 C ATOM 557 C GLN A 38 -1.895 6.662 -10.614 1.00 0.00 C ATOM 558 O GLN A 38 -2.495 5.709 -11.110 1.00 0.00 O ATOM 559 CB GLN A 38 -3.052 8.834 -11.058 1.00 0.00 C ATOM 560 CG GLN A 38 -3.205 10.252 -10.532 1.00 0.00 C ATOM 561 CD GLN A 38 -4.238 11.052 -11.301 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.602 10.700 -12.424 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.718 12.134 -10.700 1.00 0.00 N ATOM 0 H GLN A 38 -1.751 9.476 -9.065 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.558 7.429 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.299 8.827 -11.846 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.992 8.520 -11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.488 10.217 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.243 10.761 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.388 12.389 -9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.417 12.710 -11.169 1.00 0.00 H new ATOM 572 N ASN A 39 -0.569 6.749 -10.594 1.00 0.00 N ATOM 573 CA ASN A 39 0.275 5.707 -11.167 1.00 0.00 C ATOM 574 C ASN A 39 0.389 4.517 -10.218 1.00 0.00 C ATOM 575 O ASN A 39 0.449 3.366 -10.653 1.00 0.00 O ATOM 576 CB ASN A 39 1.667 6.261 -11.476 1.00 0.00 C ATOM 577 CG ASN A 39 2.321 5.560 -12.652 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.825 4.542 -13.135 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.439 6.104 -13.117 1.00 0.00 N ATOM 0 H ASN A 39 -0.056 7.531 -10.187 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.188 5.368 -12.094 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.592 7.327 -11.688 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.301 6.155 -10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.924 5.677 -13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.813 6.949 -12.685 1.00 0.00 H new ATOM 586 N LEU A 40 0.417 4.802 -8.921 1.00 0.00 N ATOM 587 CA LEU A 40 0.522 3.755 -7.910 1.00 0.00 C ATOM 588 C LEU A 40 -0.836 3.113 -7.648 1.00 0.00 C ATOM 589 O LEU A 40 -0.916 1.968 -7.202 1.00 0.00 O ATOM 590 CB LEU A 40 1.087 4.330 -6.610 1.00 0.00 C ATOM 591 CG LEU A 40 1.181 3.360 -5.432 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.305 2.359 -5.654 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.389 4.119 -4.130 1.00 0.00 C ATOM 0 H LEU A 40 0.369 5.749 -8.544 1.00 0.00 H new ATOM 0 HA LEU A 40 1.199 2.988 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.084 4.722 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.467 5.175 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 40 0.242 2.811 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.357 1.677 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.113 1.792 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.252 2.891 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.453 3.412 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.313 4.695 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.550 4.795 -3.965 1.00 0.00 H new ATOM 605 N GLN A 41 -1.901 3.856 -7.930 1.00 0.00 N ATOM 606 CA GLN A 41 -3.256 3.357 -7.726 1.00 0.00 C ATOM 607 C GLN A 41 -3.369 1.897 -8.151 1.00 0.00 C ATOM 608 O GLN A 41 -3.740 1.024 -7.368 1.00 0.00 O ATOM 609 CB GLN A 41 -4.258 4.208 -8.508 1.00 0.00 C ATOM 610 CG GLN A 41 -4.815 5.378 -7.713 1.00 0.00 C ATOM 611 CD GLN A 41 -5.136 5.008 -6.278 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.152 5.142 -5.397 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.257 4.606 -5.964 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.852 4.805 -8.300 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.485 3.424 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.774 4.588 -9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.084 3.575 -8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.093 6.194 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.718 5.746 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.984 4.518 -6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.458 4.361 -4.994 1.00 0.00 H new ATOM 622 N PRO A 42 -3.041 1.624 -9.423 1.00 0.00 N ATOM 623 CA PRO A 42 -3.097 0.270 -9.982 1.00 0.00 C ATOM 624 C PRO A 42 -2.018 -0.640 -9.405 1.00 0.00 C ATOM 625 O PRO A 42 -2.288 -1.784 -9.041 1.00 0.00 O ATOM 626 CB PRO A 42 -2.864 0.494 -11.478 1.00 0.00 C ATOM 627 CG PRO A 42 -2.100 1.770 -11.556 1.00 0.00 C ATOM 628 CD PRO A 42 -2.589 2.616 -10.413 1.00 0.00 C ATOM 0 HA PRO A 42 -4.040 -0.227 -9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.304 -0.330 -11.919 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.807 0.564 -12.019 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.028 1.589 -11.477 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.269 2.268 -12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.797 3.249 -10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.400 3.276 -10.720 1.00 0.00 H new ATOM 636 N GLU A 43 -0.796 -0.124 -9.324 1.00 0.00 N ATOM 637 CA GLU A 43 0.324 -0.892 -8.791 1.00 0.00 C ATOM 638 C GLU A 43 -0.015 -1.466 -7.418 1.00 0.00 C ATOM 639 O GLU A 43 0.392 -2.578 -7.082 1.00 0.00 O ATOM 640 CB GLU A 43 1.574 -0.015 -8.696 1.00 0.00 C ATOM 641 CG GLU A 43 2.435 -0.044 -9.947 1.00 0.00 C ATOM 642 CD GLU A 43 3.192 1.252 -10.164 1.00 0.00 C ATOM 643 OE1 GLU A 43 3.870 1.707 -9.219 1.00 0.00 O ATOM 644 OE2 GLU A 43 3.108 1.810 -11.278 1.00 0.00 O ATOM 0 H GLU A 43 -0.556 0.822 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 43 0.522 -1.719 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.272 1.013 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.173 -0.341 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.145 -0.868 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.804 -0.241 -10.814 1.00 0.00 H new ATOM 651 N TRP A 44 -0.760 -0.699 -6.631 1.00 0.00 N ATOM 652 CA TRP A 44 -1.152 -1.130 -5.294 1.00 0.00 C ATOM 653 C TRP A 44 -2.146 -2.285 -5.364 1.00 0.00 C ATOM 654 O TRP A 44 -2.020 -3.268 -4.636 1.00 0.00 O ATOM 655 CB TRP A 44 -1.763 0.038 -4.518 1.00 0.00 C ATOM 656 CG TRP A 44 -1.692 -0.135 -3.031 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.735 -0.097 -2.151 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.515 -0.372 -2.251 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.278 -0.295 -0.870 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.919 -0.467 -0.905 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.841 -0.515 -2.559 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.016 -0.698 0.129 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.736 -0.743 -1.532 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.306 -0.833 -0.201 1.00 0.00 C ATOM 0 H TRP A 44 -1.105 0.224 -6.895 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.258 -1.475 -4.774 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.248 0.958 -4.795 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.806 0.155 -4.814 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.768 0.065 -2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.856 -0.311 -0.030 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.183 -0.448 -3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.346 -0.768 1.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.786 -0.854 -1.759 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.031 -1.012 0.579 1.00 0.00 H new ATOM 675 N GLU A 45 -3.133 -2.158 -6.246 1.00 0.00 N ATOM 676 CA GLU A 45 -4.148 -3.192 -6.409 1.00 0.00 C ATOM 677 C GLU A 45 -3.504 -4.544 -6.705 1.00 0.00 C ATOM 678 O GLU A 45 -3.820 -5.547 -6.065 1.00 0.00 O ATOM 679 CB GLU A 45 -5.113 -2.817 -7.536 1.00 0.00 C ATOM 680 CG GLU A 45 -6.209 -1.857 -7.104 1.00 0.00 C ATOM 681 CD GLU A 45 -7.385 -1.847 -8.061 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.151 -1.847 -9.288 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.539 -1.838 -7.583 1.00 0.00 O ATOM 0 H GLU A 45 -3.251 -1.350 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.704 -3.270 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.548 -2.367 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.571 -3.725 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.557 -2.133 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.797 -0.851 -7.030 1.00 0.00 H new ATOM 690 N SER A 46 -2.600 -4.562 -7.679 1.00 0.00 N ATOM 691 CA SER A 46 -1.915 -5.790 -8.063 1.00 0.00 C ATOM 692 C SER A 46 -1.142 -6.373 -6.884 1.00 0.00 C ATOM 693 O SER A 46 -0.916 -7.581 -6.811 1.00 0.00 O ATOM 694 CB SER A 46 -0.962 -5.524 -9.230 1.00 0.00 C ATOM 695 OG SER A 46 -0.840 -6.666 -10.060 1.00 0.00 O ATOM 0 H SER A 46 -2.325 -3.740 -8.217 1.00 0.00 H new ATOM 0 HA SER A 46 -2.668 -6.514 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.327 -4.681 -9.817 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.019 -5.243 -8.846 1.00 0.00 H new ATOM 0 HG SER A 46 -0.505 -6.396 -10.941 1.00 0.00 H new ATOM 701 N PHE A 47 -0.740 -5.505 -5.961 1.00 0.00 N ATOM 702 CA PHE A 47 0.008 -5.932 -4.784 1.00 0.00 C ATOM 703 C PHE A 47 -0.909 -6.620 -3.777 1.00 0.00 C ATOM 704 O PHE A 47 -0.701 -7.781 -3.424 1.00 0.00 O ATOM 705 CB PHE A 47 0.697 -4.734 -4.129 1.00 0.00 C ATOM 706 CG PHE A 47 1.083 -4.973 -2.697 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.368 -6.252 -2.247 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.160 -3.919 -1.801 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.724 -6.476 -0.931 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.516 -4.137 -0.484 1.00 0.00 C ATOM 711 CZ PHE A 47 1.797 -5.417 -0.048 1.00 0.00 C ATOM 0 H PHE A 47 -0.920 -4.502 -6.005 1.00 0.00 H new ATOM 0 HA PHE A 47 0.766 -6.646 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.590 -4.482 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.033 -3.871 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.311 -7.084 -2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.939 -2.916 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.945 -7.478 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.575 -3.307 0.204 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.073 -5.589 0.982 1.00 0.00 H new ATOM 721 N ALA A 48 -1.923 -5.895 -3.317 1.00 0.00 N ATOM 722 CA ALA A 48 -2.872 -6.434 -2.352 1.00 0.00 C ATOM 723 C ALA A 48 -3.395 -7.795 -2.798 1.00 0.00 C ATOM 724 O ALA A 48 -3.921 -8.562 -1.992 1.00 0.00 O ATOM 725 CB ALA A 48 -4.027 -5.464 -2.149 1.00 0.00 C ATOM 0 H ALA A 48 -2.108 -4.932 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.352 -6.566 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.728 -5.880 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.643 -4.514 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.538 -5.303 -3.098 1.00 0.00 H new ATOM 731 N GLU A 49 -3.247 -8.088 -4.086 1.00 0.00 N ATOM 732 CA GLU A 49 -3.706 -9.357 -4.638 1.00 0.00 C ATOM 733 C GLU A 49 -3.047 -10.532 -3.922 1.00 0.00 C ATOM 734 O GLU A 49 -3.727 -11.420 -3.409 1.00 0.00 O ATOM 735 CB GLU A 49 -3.406 -9.425 -6.137 1.00 0.00 C ATOM 736 CG GLU A 49 -4.298 -8.528 -6.978 1.00 0.00 C ATOM 737 CD GLU A 49 -4.438 -9.018 -8.406 1.00 0.00 C ATOM 738 OE1 GLU A 49 -5.286 -9.902 -8.650 1.00 0.00 O ATOM 739 OE2 GLU A 49 -3.700 -8.517 -9.280 1.00 0.00 O ATOM 0 H GLU A 49 -2.813 -7.464 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.784 -9.421 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.365 -9.147 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.519 -10.455 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.285 -8.470 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.889 -7.517 -6.983 1.00 0.00 H new ATOM 746 N TRP A 50 -1.719 -10.530 -3.894 1.00 0.00 N ATOM 747 CA TRP A 50 -0.967 -11.596 -3.242 1.00 0.00 C ATOM 748 C TRP A 50 -0.636 -11.226 -1.800 1.00 0.00 C ATOM 749 O TRP A 50 -0.242 -12.078 -1.005 1.00 0.00 O ATOM 750 CB TRP A 50 0.320 -11.887 -4.015 1.00 0.00 C ATOM 751 CG TRP A 50 1.076 -10.650 -4.397 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.075 -10.032 -5.614 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.945 -9.884 -3.556 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.892 -8.927 -5.581 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.436 -8.814 -4.329 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.355 -9.996 -2.224 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.316 -7.865 -3.814 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.228 -9.054 -1.715 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.700 -7.999 -2.508 1.00 0.00 C ATOM 0 H TRP A 50 -1.141 -9.803 -4.315 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.588 -12.492 -3.234 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.963 -12.525 -3.409 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.075 -12.447 -4.917 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.515 -10.363 -6.476 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.065 -8.294 -6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.996 -10.804 -1.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.682 -7.052 -4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.553 -9.132 -0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.380 -7.278 -2.079 1.00 0.00 H new ATOM 770 N GLY A 51 -0.799 -9.948 -1.470 1.00 0.00 N ATOM 771 CA GLY A 51 -0.513 -9.488 -0.123 1.00 0.00 C ATOM 772 C GLY A 51 -0.916 -10.498 0.933 1.00 0.00 C ATOM 773 O GLY A 51 -0.063 -11.147 1.537 1.00 0.00 O ATOM 0 H GLY A 51 -1.124 -9.224 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.553 -9.278 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.039 -8.550 0.056 1.00 0.00 H new ATOM 777 N GLU A 52 -2.220 -10.630 1.156 1.00 0.00 N ATOM 778 CA GLU A 52 -2.733 -11.567 2.149 1.00 0.00 C ATOM 779 C GLU A 52 -2.175 -12.968 1.915 1.00 0.00 C ATOM 780 O GLU A 52 -2.128 -13.790 2.830 1.00 0.00 O ATOM 781 CB GLU A 52 -4.262 -11.601 2.107 1.00 0.00 C ATOM 782 CG GLU A 52 -4.821 -12.376 0.925 1.00 0.00 C ATOM 783 CD GLU A 52 -4.910 -11.535 -0.334 1.00 0.00 C ATOM 784 OE1 GLU A 52 -4.976 -10.294 -0.214 1.00 0.00 O ATOM 785 OE2 GLU A 52 -4.913 -12.118 -1.438 1.00 0.00 O ATOM 0 H GLU A 52 -2.939 -10.101 0.663 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.411 -11.227 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.633 -12.046 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.639 -10.579 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.191 -13.244 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.813 -12.751 1.178 1.00 0.00 H new ATOM 792 N ASP A 53 -1.753 -13.232 0.683 1.00 0.00 N ATOM 793 CA ASP A 53 -1.198 -14.532 0.327 1.00 0.00 C ATOM 794 C ASP A 53 0.112 -14.784 1.067 1.00 0.00 C ATOM 795 O ASP A 53 0.388 -15.905 1.499 1.00 0.00 O ATOM 796 CB ASP A 53 -0.969 -14.617 -1.183 1.00 0.00 C ATOM 797 CG ASP A 53 -1.108 -16.032 -1.711 1.00 0.00 C ATOM 798 OD1 ASP A 53 -2.253 -16.460 -1.964 1.00 0.00 O ATOM 799 OD2 ASP A 53 -0.072 -16.710 -1.869 1.00 0.00 O ATOM 0 H ASP A 53 -1.785 -12.562 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.915 -15.298 0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.683 -13.970 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.027 -14.241 -1.418 1.00 0.00 H new ATOM 804 N LEU A 54 0.916 -13.737 1.209 1.00 0.00 N ATOM 805 CA LEU A 54 2.199 -13.844 1.897 1.00 0.00 C ATOM 806 C LEU A 54 2.053 -13.507 3.377 1.00 0.00 C ATOM 807 O LEU A 54 3.028 -13.160 4.042 1.00 0.00 O ATOM 808 CB LEU A 54 3.226 -12.915 1.249 1.00 0.00 C ATOM 809 CG LEU A 54 3.355 -13.013 -0.272 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.209 -11.875 -0.810 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.943 -14.358 -0.672 1.00 0.00 C ATOM 0 H LEU A 54 0.703 -12.804 0.857 1.00 0.00 H new ATOM 0 HA LEU A 54 2.545 -14.874 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.970 -11.887 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.201 -13.120 1.690 1.00 0.00 H new ATOM 0 HG LEU A 54 2.359 -12.930 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.290 -11.961 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.747 -10.921 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.204 -11.926 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.027 -14.410 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.931 -14.470 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.292 -15.159 -0.320 1.00 0.00 H new ATOM 823 N GLU A 55 0.829 -13.613 3.885 1.00 0.00 N ATOM 824 CA GLU A 55 0.558 -13.321 5.288 1.00 0.00 C ATOM 825 C GLU A 55 0.881 -11.865 5.612 1.00 0.00 C ATOM 826 O GLU A 55 1.655 -11.578 6.525 1.00 0.00 O ATOM 827 CB GLU A 55 1.371 -14.249 6.192 1.00 0.00 C ATOM 828 CG GLU A 55 0.751 -15.625 6.366 1.00 0.00 C ATOM 829 CD GLU A 55 -0.639 -15.568 6.970 1.00 0.00 C ATOM 830 OE1 GLU A 55 -0.743 -15.385 8.201 1.00 0.00 O ATOM 831 OE2 GLU A 55 -1.622 -15.705 6.212 1.00 0.00 O ATOM 0 H GLU A 55 0.011 -13.898 3.347 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.504 -13.489 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.373 -14.361 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.482 -13.783 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.702 -16.122 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.395 -16.231 7.003 1.00 0.00 H new ATOM 838 N VAL A 56 0.282 -10.949 4.857 1.00 0.00 N ATOM 839 CA VAL A 56 0.504 -9.523 5.064 1.00 0.00 C ATOM 840 C VAL A 56 -0.757 -8.721 4.766 1.00 0.00 C ATOM 841 O VAL A 56 -1.450 -8.977 3.782 1.00 0.00 O ATOM 842 CB VAL A 56 1.652 -9.001 4.180 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.125 -8.568 2.820 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.376 -7.854 4.870 1.00 0.00 C ATOM 0 H VAL A 56 -0.361 -11.169 4.096 1.00 0.00 H new ATOM 0 HA VAL A 56 0.773 -9.393 6.112 1.00 0.00 H new ATOM 0 HB VAL A 56 2.365 -9.811 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.951 -8.202 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.656 -9.418 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.390 -7.773 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.184 -7.497 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.675 -7.041 5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.789 -8.201 5.817 1.00 0.00 H new ATOM 854 N ASN A 57 -1.050 -7.749 5.623 1.00 0.00 N ATOM 855 CA ASN A 57 -2.229 -6.908 5.452 1.00 0.00 C ATOM 856 C ASN A 57 -1.868 -5.599 4.757 1.00 0.00 C ATOM 857 O ASN A 57 -0.856 -4.973 5.077 1.00 0.00 O ATOM 858 CB ASN A 57 -2.875 -6.617 6.809 1.00 0.00 C ATOM 859 CG ASN A 57 -3.068 -7.872 7.638 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.991 -8.650 7.401 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.194 -8.073 8.618 1.00 0.00 N ATOM 0 H ASN A 57 -0.487 -7.524 6.443 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.941 -7.446 4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.253 -5.912 7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.840 -6.136 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.273 -8.900 9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.444 -7.401 8.778 1.00 0.00 H new ATOM 868 N ILE A 58 -2.701 -5.191 3.806 1.00 0.00 N ATOM 869 CA ILE A 58 -2.470 -3.955 3.068 1.00 0.00 C ATOM 870 C ILE A 58 -3.565 -2.932 3.351 1.00 0.00 C ATOM 871 O ILE A 58 -4.744 -3.277 3.434 1.00 0.00 O ATOM 872 CB ILE A 58 -2.402 -4.211 1.550 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.228 -5.134 1.219 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.278 -2.895 0.797 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.547 -6.603 1.389 1.00 0.00 C ATOM 0 H ILE A 58 -3.542 -5.698 3.528 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.512 -3.560 3.406 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.324 -4.701 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.915 -4.955 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.383 -4.878 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.231 -3.092 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.144 -2.269 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.370 -2.380 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.669 -7.198 1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.831 -6.796 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.371 -6.875 0.729 1.00 0.00 H new ATOM 887 N ALA A 59 -3.167 -1.673 3.498 1.00 0.00 N ATOM 888 CA ALA A 59 -4.115 -0.599 3.768 1.00 0.00 C ATOM 889 C ALA A 59 -3.678 0.700 3.099 1.00 0.00 C ATOM 890 O ALA A 59 -2.507 0.873 2.760 1.00 0.00 O ATOM 891 CB ALA A 59 -4.269 -0.396 5.268 1.00 0.00 C ATOM 0 H ALA A 59 -2.195 -1.371 3.435 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.080 -0.886 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.980 0.409 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.634 -1.316 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.303 -0.135 5.701 1.00 0.00 H new ATOM 897 N LYS A 60 -4.626 1.611 2.910 1.00 0.00 N ATOM 898 CA LYS A 60 -4.340 2.895 2.282 1.00 0.00 C ATOM 899 C LYS A 60 -4.865 4.047 3.134 1.00 0.00 C ATOM 900 O LYS A 60 -5.897 3.923 3.795 1.00 0.00 O ATOM 901 CB LYS A 60 -4.965 2.953 0.886 1.00 0.00 C ATOM 902 CG LYS A 60 -6.479 3.066 0.901 1.00 0.00 C ATOM 903 CD LYS A 60 -7.073 2.787 -0.469 1.00 0.00 C ATOM 904 CE LYS A 60 -8.562 2.488 -0.381 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.031 1.668 -1.533 1.00 0.00 N ATOM 0 H LYS A 60 -5.600 1.484 3.183 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.258 2.995 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.551 3.805 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.681 2.058 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.890 2.364 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.767 4.066 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.911 3.647 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.557 1.942 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.772 1.961 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.119 3.424 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.050 1.485 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.853 2.181 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.517 0.764 -1.548 1.00 0.00 H new ATOM 919 N VAL A 61 -4.150 5.167 3.112 1.00 0.00 N ATOM 920 CA VAL A 61 -4.546 6.341 3.880 1.00 0.00 C ATOM 921 C VAL A 61 -4.779 7.541 2.969 1.00 0.00 C ATOM 922 O VAL A 61 -4.053 7.745 1.996 1.00 0.00 O ATOM 923 CB VAL A 61 -3.482 6.709 4.931 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.771 8.077 5.528 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.418 5.646 6.019 1.00 0.00 C ATOM 0 H VAL A 61 -3.294 5.286 2.571 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.476 6.087 4.388 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.510 6.752 4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.009 8.319 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.762 8.828 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.750 8.066 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.661 5.922 6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.388 5.569 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.159 4.685 5.574 1.00 0.00 H new ATOM 935 N ASP A 62 -5.797 8.332 3.291 1.00 0.00 N ATOM 936 CA ASP A 62 -6.126 9.513 2.502 1.00 0.00 C ATOM 937 C ASP A 62 -5.693 10.786 3.223 1.00 0.00 C ATOM 938 O ASP A 62 -6.092 11.033 4.361 1.00 0.00 O ATOM 939 CB ASP A 62 -7.628 9.560 2.216 1.00 0.00 C ATOM 940 CG ASP A 62 -8.218 8.181 1.995 1.00 0.00 C ATOM 941 OD1 ASP A 62 -8.158 7.353 2.928 1.00 0.00 O ATOM 942 OD2 ASP A 62 -8.741 7.930 0.889 1.00 0.00 O ATOM 0 H ASP A 62 -6.408 8.177 4.093 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.586 9.450 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.139 10.041 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.808 10.175 1.334 1.00 0.00 H new ATOM 947 N VAL A 63 -4.874 11.590 2.553 1.00 0.00 N ATOM 948 CA VAL A 63 -4.387 12.838 3.129 1.00 0.00 C ATOM 949 C VAL A 63 -5.395 13.964 2.934 1.00 0.00 C ATOM 950 O VAL A 63 -5.031 15.141 2.902 1.00 0.00 O ATOM 951 CB VAL A 63 -3.041 13.255 2.508 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.988 12.182 2.744 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.204 13.536 1.022 1.00 0.00 C ATOM 0 H VAL A 63 -4.534 11.400 1.611 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.247 12.661 4.195 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.706 14.172 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.044 12.495 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.852 12.035 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.313 11.247 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.243 13.829 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.563 12.638 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.924 14.342 0.881 1.00 0.00 H new ATOM 963 N THR A 64 -6.666 13.598 2.804 1.00 0.00 N ATOM 964 CA THR A 64 -7.728 14.577 2.611 1.00 0.00 C ATOM 965 C THR A 64 -8.848 14.381 3.626 1.00 0.00 C ATOM 966 O THR A 64 -9.524 15.335 4.010 1.00 0.00 O ATOM 967 CB THR A 64 -8.319 14.493 1.190 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.993 13.242 1.013 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.227 14.639 0.141 1.00 0.00 C ATOM 0 H THR A 64 -6.985 12.630 2.829 1.00 0.00 H new ATOM 0 HA THR A 64 -7.280 15.560 2.753 1.00 0.00 H new ATOM 0 HB THR A 64 -9.031 15.309 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.367 13.197 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.668 14.577 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.735 15.604 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.495 13.841 0.264 1.00 0.00 H new ATOM 977 N GLU A 65 -9.039 13.138 4.058 1.00 0.00 N ATOM 978 CA GLU A 65 -10.078 12.818 5.030 1.00 0.00 C ATOM 979 C GLU A 65 -9.469 12.501 6.393 1.00 0.00 C ATOM 980 O GLU A 65 -10.132 12.621 7.423 1.00 0.00 O ATOM 981 CB GLU A 65 -10.914 11.633 4.544 1.00 0.00 C ATOM 982 CG GLU A 65 -11.857 11.980 3.404 1.00 0.00 C ATOM 983 CD GLU A 65 -13.140 12.631 3.884 1.00 0.00 C ATOM 984 OE1 GLU A 65 -13.066 13.493 4.784 1.00 0.00 O ATOM 985 OE2 GLU A 65 -14.217 12.277 3.361 1.00 0.00 O ATOM 0 H GLU A 65 -8.488 12.337 3.750 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.724 13.690 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.245 10.835 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.495 11.243 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.351 12.652 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.100 11.073 2.850 1.00 0.00 H new ATOM 992 N GLN A 66 -8.203 12.094 6.389 1.00 0.00 N ATOM 993 CA GLN A 66 -7.506 11.757 7.624 1.00 0.00 C ATOM 994 C GLN A 66 -6.367 12.736 7.890 1.00 0.00 C ATOM 995 O GLN A 66 -5.200 12.462 7.606 1.00 0.00 O ATOM 996 CB GLN A 66 -6.961 10.330 7.554 1.00 0.00 C ATOM 997 CG GLN A 66 -8.042 9.274 7.392 1.00 0.00 C ATOM 998 CD GLN A 66 -9.154 9.414 8.412 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.931 9.880 9.530 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.361 9.012 8.033 1.00 0.00 N ATOM 0 H GLN A 66 -7.640 11.990 5.545 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.220 11.826 8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.265 10.256 6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.394 10.121 8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.464 9.342 6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.594 8.284 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.501 8.632 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.148 9.083 8.678 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.710 13.907 8.447 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.730 14.951 8.763 1.00 0.00 C ATOM 1011 C PRO A 67 -4.817 14.557 9.919 1.00 0.00 C ATOM 1012 O PRO A 67 -3.688 15.035 10.021 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.601 16.148 9.154 1.00 0.00 C ATOM 1014 CG PRO A 67 -7.879 15.548 9.629 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.081 14.302 8.811 1.00 0.00 C ATOM 0 HA PRO A 67 -5.060 15.149 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.128 16.743 9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.767 16.811 8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.828 15.313 10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.709 16.242 9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.585 13.523 9.383 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.691 14.495 7.929 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.313 13.681 10.788 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.528 13.238 11.925 1.00 0.00 C ATOM 1025 C GLY A 68 -3.415 12.289 11.526 1.00 0.00 C ATOM 1026 O GLY A 68 -2.235 12.595 11.704 1.00 0.00 O ATOM 0 H GLY A 68 -6.245 13.270 10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.099 14.105 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.182 12.745 12.644 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.789 11.135 10.987 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.813 10.136 10.563 1.00 0.00 C ATOM 1032 C LEU A 69 -1.623 10.797 9.873 1.00 0.00 C ATOM 1033 O LEU A 69 -0.479 10.382 10.056 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.466 9.124 9.620 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.294 8.024 10.286 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.021 7.195 9.239 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.407 7.138 11.149 1.00 0.00 C ATOM 0 H LEU A 69 -4.761 10.867 10.833 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.453 9.616 11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.109 9.666 8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.683 8.653 9.026 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.039 8.494 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.605 6.417 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.686 7.838 8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.294 6.734 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.013 6.361 11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.640 6.676 10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.933 7.742 11.923 1.00 0.00 H new ATOM 1049 N SER A 70 -1.902 11.827 9.081 1.00 0.00 N ATOM 1050 CA SER A 70 -0.855 12.544 8.363 1.00 0.00 C ATOM 1051 C SER A 70 0.226 13.032 9.322 1.00 0.00 C ATOM 1052 O SER A 70 1.418 12.945 9.029 1.00 0.00 O ATOM 1053 CB SER A 70 -1.450 13.731 7.602 1.00 0.00 C ATOM 1054 OG SER A 70 -1.700 14.821 8.472 1.00 0.00 O ATOM 0 H SER A 70 -2.844 12.184 8.920 1.00 0.00 H new ATOM 0 HA SER A 70 -0.401 11.855 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.765 14.041 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.378 13.428 7.118 1.00 0.00 H new ATOM 0 HG SER A 70 -2.499 14.635 9.009 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.200 13.547 10.472 1.00 0.00 N ATOM 1061 CA GLY A 71 0.743 14.041 11.458 1.00 0.00 C ATOM 1062 C GLY A 71 1.362 12.927 12.279 1.00 0.00 C ATOM 1063 O GLY A 71 2.546 12.976 12.611 1.00 0.00 O ATOM 0 H GLY A 71 -1.181 13.631 10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.533 14.598 10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.235 14.739 12.123 1.00 0.00 H new ATOM 1067 N ARG A 72 0.558 11.921 12.608 1.00 0.00 N ATOM 1068 CA ARG A 72 1.033 10.791 13.398 1.00 0.00 C ATOM 1069 C ARG A 72 2.144 10.044 12.665 1.00 0.00 C ATOM 1070 O ARG A 72 2.844 9.219 13.253 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.121 9.836 13.706 1.00 0.00 C ATOM 1072 CG ARG A 72 -1.241 10.473 14.513 1.00 0.00 C ATOM 1073 CD ARG A 72 -2.122 9.422 15.170 1.00 0.00 C ATOM 1074 NE ARG A 72 -3.304 10.012 15.793 1.00 0.00 N ATOM 1075 CZ ARG A 72 -4.106 9.350 16.620 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.854 8.083 16.921 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -5.162 9.955 17.148 1.00 0.00 N ATOM 0 H ARG A 72 -0.425 11.865 12.340 1.00 0.00 H new ATOM 0 HA ARG A 72 1.435 11.178 14.334 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.529 9.459 12.768 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.266 8.977 14.253 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.816 11.123 15.278 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.848 11.102 13.862 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.432 8.691 14.424 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.545 8.884 15.923 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.526 10.985 15.582 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.043 7.615 16.517 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.471 7.577 17.556 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.359 10.929 16.919 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.777 9.446 17.783 1.00 0.00 H new ATOM 1091 N PHE A 73 2.299 10.338 11.379 1.00 0.00 N ATOM 1092 CA PHE A 73 3.323 9.693 10.565 1.00 0.00 C ATOM 1093 C PHE A 73 4.351 10.711 10.078 1.00 0.00 C ATOM 1094 O PHE A 73 5.431 10.344 9.614 1.00 0.00 O ATOM 1095 CB PHE A 73 2.683 8.986 9.369 1.00 0.00 C ATOM 1096 CG PHE A 73 2.160 7.616 9.692 1.00 0.00 C ATOM 1097 CD1 PHE A 73 0.895 7.453 10.236 1.00 0.00 C ATOM 1098 CD2 PHE A 73 2.931 6.490 9.453 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.412 6.194 10.535 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.453 5.228 9.750 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.191 5.080 10.291 1.00 0.00 C ATOM 0 H PHE A 73 1.729 11.019 10.877 1.00 0.00 H new ATOM 0 HA PHE A 73 3.833 8.955 11.184 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.865 9.599 8.990 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.418 8.906 8.568 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.281 8.320 10.428 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.918 6.600 9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.575 6.081 10.959 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.065 4.359 9.559 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.814 4.095 10.523 1.00 0.00 H new ATOM 1111 N ILE A 74 4.007 11.989 10.188 1.00 0.00 N ATOM 1112 CA ILE A 74 4.899 13.060 9.760 1.00 0.00 C ATOM 1113 C ILE A 74 5.258 12.919 8.285 1.00 0.00 C ATOM 1114 O ILE A 74 6.433 12.930 7.918 1.00 0.00 O ATOM 1115 CB ILE A 74 6.195 13.079 10.592 1.00 0.00 C ATOM 1116 CG1 ILE A 74 5.877 12.878 12.076 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.943 14.386 10.377 1.00 0.00 C ATOM 1118 CD1 ILE A 74 5.848 11.426 12.496 1.00 0.00 C ATOM 0 H ILE A 74 3.117 12.309 10.570 1.00 0.00 H new ATOM 0 HA ILE A 74 4.364 13.997 9.914 1.00 0.00 H new ATOM 0 HB ILE A 74 6.833 12.259 10.262 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.620 13.406 12.673 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.911 13.331 12.297 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.857 14.384 10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.197 14.491 9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.312 15.221 10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.617 11.359 13.559 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.085 10.897 11.925 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.821 10.973 12.307 1.00 0.00 H new ATOM 1130 N ILE A 75 4.238 12.789 7.443 1.00 0.00 N ATOM 1131 CA ILE A 75 4.445 12.650 6.007 1.00 0.00 C ATOM 1132 C ILE A 75 4.968 13.947 5.399 1.00 0.00 C ATOM 1133 O ILE A 75 4.358 15.004 5.548 1.00 0.00 O ATOM 1134 CB ILE A 75 3.146 12.245 5.287 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.516 11.029 5.969 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.422 11.953 3.820 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.380 9.788 5.909 1.00 0.00 C ATOM 0 H ILE A 75 3.260 12.777 7.731 1.00 0.00 H new ATOM 0 HA ILE A 75 5.186 11.863 5.870 1.00 0.00 H new ATOM 0 HB ILE A 75 2.442 13.075 5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.314 11.272 7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.555 10.816 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.494 11.668 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.830 12.844 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.141 11.137 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.871 8.966 6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.561 9.521 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.331 9.983 6.404 1.00 0.00 H new ATOM 1149 N ASN A 76 6.102 13.856 4.711 1.00 0.00 N ATOM 1150 CA ASN A 76 6.707 15.023 4.079 1.00 0.00 C ATOM 1151 C ASN A 76 6.323 15.103 2.604 1.00 0.00 C ATOM 1152 O ASN A 76 5.931 16.160 2.111 1.00 0.00 O ATOM 1153 CB ASN A 76 8.230 14.973 4.218 1.00 0.00 C ATOM 1154 CG ASN A 76 8.776 13.565 4.083 1.00 0.00 C ATOM 1155 OD1 ASN A 76 8.104 12.673 3.566 1.00 0.00 O ATOM 1156 ND2 ASN A 76 10.003 13.359 4.548 1.00 0.00 N ATOM 0 H ASN A 76 6.620 12.987 4.577 1.00 0.00 H new ATOM 0 HA ASN A 76 6.332 15.913 4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.683 15.610 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.517 15.380 5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.424 12.432 4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.525 14.128 4.969 1.00 0.00 H new ATOM 1163 N ALA A 77 6.438 13.977 1.907 1.00 0.00 N ATOM 1164 CA ALA A 77 6.100 13.919 0.490 1.00 0.00 C ATOM 1165 C ALA A 77 5.184 12.737 0.192 1.00 0.00 C ATOM 1166 O ALA A 77 4.975 11.871 1.043 1.00 0.00 O ATOM 1167 CB ALA A 77 7.365 13.833 -0.351 1.00 0.00 C ATOM 0 H ALA A 77 6.762 13.093 2.300 1.00 0.00 H new ATOM 0 HA ALA A 77 5.566 14.833 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.098 13.790 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.984 14.712 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.921 12.935 -0.081 1.00 0.00 H new ATOM 1173 N LEU A 78 4.640 12.707 -1.019 1.00 0.00 N ATOM 1174 CA LEU A 78 3.744 11.630 -1.429 1.00 0.00 C ATOM 1175 C LEU A 78 3.950 11.281 -2.899 1.00 0.00 C ATOM 1176 O LEU A 78 4.339 12.119 -3.713 1.00 0.00 O ATOM 1177 CB LEU A 78 2.288 12.031 -1.187 1.00 0.00 C ATOM 1178 CG LEU A 78 1.938 12.459 0.238 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.812 13.482 0.227 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.553 11.250 1.079 1.00 0.00 C ATOM 0 H LEU A 78 4.803 13.415 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 78 3.976 10.750 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.041 12.850 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.650 11.190 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 78 2.818 12.922 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.577 13.775 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.123 14.360 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.072 13.045 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.307 11.574 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.687 10.758 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.388 10.551 1.115 1.00 0.00 H new ATOM 1192 N PRO A 79 3.682 10.014 -3.250 1.00 0.00 N ATOM 1193 CA PRO A 79 3.220 9.008 -2.290 1.00 0.00 C ATOM 1194 C PRO A 79 4.309 8.607 -1.301 1.00 0.00 C ATOM 1195 O PRO A 79 5.475 8.965 -1.466 1.00 0.00 O ATOM 1196 CB PRO A 79 2.839 7.820 -3.177 1.00 0.00 C ATOM 1197 CG PRO A 79 3.665 7.985 -4.406 1.00 0.00 C ATOM 1198 CD PRO A 79 3.810 9.467 -4.611 1.00 0.00 C ATOM 0 HA PRO A 79 2.400 9.378 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.051 6.872 -2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.775 7.826 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.639 7.510 -4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.184 7.517 -5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.773 9.719 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.039 9.858 -5.275 1.00 0.00 H new ATOM 1206 N THR A 80 3.921 7.860 -0.272 1.00 0.00 N ATOM 1207 CA THR A 80 4.865 7.410 0.744 1.00 0.00 C ATOM 1208 C THR A 80 4.360 6.155 1.446 1.00 0.00 C ATOM 1209 O THR A 80 3.422 6.212 2.242 1.00 0.00 O ATOM 1210 CB THR A 80 5.121 8.506 1.797 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.841 9.593 1.207 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.906 7.950 2.975 1.00 0.00 C ATOM 0 H THR A 80 2.960 7.554 -0.120 1.00 0.00 H new ATOM 0 HA THR A 80 5.799 7.184 0.230 1.00 0.00 H new ATOM 0 HB THR A 80 4.157 8.864 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.348 10.428 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.075 8.741 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.341 7.142 3.440 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.865 7.568 2.625 1.00 0.00 H new ATOM 1220 N ILE A 81 4.987 5.023 1.147 1.00 0.00 N ATOM 1221 CA ILE A 81 4.602 3.754 1.752 1.00 0.00 C ATOM 1222 C ILE A 81 5.382 3.497 3.036 1.00 0.00 C ATOM 1223 O ILE A 81 6.561 3.839 3.138 1.00 0.00 O ATOM 1224 CB ILE A 81 4.828 2.577 0.784 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.950 2.736 -0.459 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.537 1.256 1.479 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.544 2.112 -1.703 1.00 0.00 C ATOM 0 H ILE A 81 5.764 4.958 0.489 1.00 0.00 H new ATOM 0 HA ILE A 81 3.539 3.825 1.984 1.00 0.00 H new ATOM 0 HB ILE A 81 5.872 2.578 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.976 2.286 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.780 3.797 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.701 0.434 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.200 1.142 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.501 1.243 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.868 2.263 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.505 2.579 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.688 1.044 -1.541 1.00 0.00 H new ATOM 1239 N TYR A 82 4.718 2.892 4.015 1.00 0.00 N ATOM 1240 CA TYR A 82 5.349 2.590 5.294 1.00 0.00 C ATOM 1241 C TYR A 82 5.086 1.144 5.703 1.00 0.00 C ATOM 1242 O TYR A 82 3.954 0.663 5.633 1.00 0.00 O ATOM 1243 CB TYR A 82 4.835 3.540 6.377 1.00 0.00 C ATOM 1244 CG TYR A 82 5.673 4.789 6.534 1.00 0.00 C ATOM 1245 CD1 TYR A 82 7.007 4.711 6.916 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.131 6.046 6.299 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.775 5.850 7.062 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.892 7.190 6.441 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.214 7.087 6.823 1.00 0.00 C ATOM 1250 OH TYR A 82 7.976 8.223 6.965 1.00 0.00 O ATOM 0 H TYR A 82 3.743 2.601 3.947 1.00 0.00 H new ATOM 0 HA TYR A 82 6.424 2.727 5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.811 3.827 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.806 3.010 7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.451 3.744 7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.097 6.130 6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.810 5.772 7.362 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.455 8.160 6.254 1.00 0.00 H new ATOM 0 HH TYR A 82 8.912 8.016 6.764 1.00 0.00 H new ATOM 1260 N HIS A 83 6.139 0.455 6.131 1.00 0.00 N ATOM 1261 CA HIS A 83 6.023 -0.936 6.554 1.00 0.00 C ATOM 1262 C HIS A 83 5.900 -1.034 8.071 1.00 0.00 C ATOM 1263 O HIS A 83 6.845 -0.733 8.801 1.00 0.00 O ATOM 1264 CB HIS A 83 7.234 -1.739 6.076 1.00 0.00 C ATOM 1265 CG HIS A 83 7.128 -3.206 6.356 1.00 0.00 C ATOM 1266 ND1 HIS A 83 6.285 -4.143 5.864 1.00 0.00 N flip ATOM 1267 CD2 HIS A 83 7.955 -3.864 7.242 1.00 0.00 C flip ATOM 1268 CE1 HIS A 83 6.615 -5.338 6.453 1.00 0.00 C flip ATOM 1269 NE2 HIS A 83 7.626 -5.143 7.281 1.00 0.00 N flip ATOM 0 H HIS A 83 7.082 0.837 6.194 1.00 0.00 H new ATOM 0 HA HIS A 83 5.120 -1.352 6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.358 -1.590 5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.131 -1.349 6.557 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.542 -3.990 5.182 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.748 -3.405 7.815 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.127 -6.284 6.269 1.00 0.00 H new ATOM 1278 N CYS A 84 4.730 -1.457 8.538 1.00 0.00 N ATOM 1279 CA CYS A 84 4.483 -1.594 9.969 1.00 0.00 C ATOM 1280 C CYS A 84 4.472 -3.062 10.381 1.00 0.00 C ATOM 1281 O CYS A 84 3.558 -3.810 10.032 1.00 0.00 O ATOM 1282 CB CYS A 84 3.153 -0.937 10.343 1.00 0.00 C ATOM 1283 SG CYS A 84 3.033 -0.450 12.080 1.00 0.00 S ATOM 0 H CYS A 84 3.938 -1.711 7.947 1.00 0.00 H new ATOM 0 HA CYS A 84 5.291 -1.092 10.502 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.007 -0.055 9.719 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.342 -1.628 10.114 1.00 0.00 H new ATOM 0 HG CYS A 84 3.223 0.832 12.185 1.00 0.00 H new ATOM 1289 N LYS A 85 5.495 -3.471 11.125 1.00 0.00 N ATOM 1290 CA LYS A 85 5.604 -4.850 11.585 1.00 0.00 C ATOM 1291 C LYS A 85 5.792 -4.905 13.098 1.00 0.00 C ATOM 1292 O LYS A 85 6.883 -4.649 13.607 1.00 0.00 O ATOM 1293 CB LYS A 85 6.774 -5.550 10.889 1.00 0.00 C ATOM 1294 CG LYS A 85 6.927 -7.010 11.277 1.00 0.00 C ATOM 1295 CD LYS A 85 7.915 -7.727 10.372 1.00 0.00 C ATOM 1296 CE LYS A 85 8.019 -9.204 10.720 1.00 0.00 C ATOM 1297 NZ LYS A 85 6.701 -9.890 10.629 1.00 0.00 N ATOM 0 H LYS A 85 6.261 -2.866 11.422 1.00 0.00 H new ATOM 0 HA LYS A 85 4.678 -5.366 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.637 -5.482 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.697 -5.021 11.127 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.263 -7.079 12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.957 -7.505 11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.604 -7.618 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.896 -7.261 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.727 -9.687 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.416 -9.312 11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.406 -10.202 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.993 -9.232 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.782 -10.716 10.002 1.00 0.00 H new ATOM 1311 N ASP A 86 4.722 -5.243 13.810 1.00 0.00 N ATOM 1312 CA ASP A 86 4.770 -5.334 15.264 1.00 0.00 C ATOM 1313 C ASP A 86 5.064 -3.972 15.885 1.00 0.00 C ATOM 1314 O ASP A 86 5.715 -3.881 16.925 1.00 0.00 O ATOM 1315 CB ASP A 86 5.831 -6.347 15.698 1.00 0.00 C ATOM 1316 CG ASP A 86 5.483 -7.025 17.008 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.603 -7.912 17.002 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.090 -6.670 18.040 1.00 0.00 O ATOM 0 H ASP A 86 3.812 -5.458 13.404 1.00 0.00 H new ATOM 0 HA ASP A 86 3.794 -5.669 15.615 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.947 -7.103 14.921 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.792 -5.842 15.798 1.00 0.00 H new ATOM 1323 N GLY A 87 4.581 -2.916 15.239 1.00 0.00 N ATOM 1324 CA GLY A 87 4.803 -1.573 15.742 1.00 0.00 C ATOM 1325 C GLY A 87 5.874 -0.833 14.965 1.00 0.00 C ATOM 1326 O GLY A 87 5.698 0.333 14.611 1.00 0.00 O ATOM 0 H GLY A 87 4.040 -2.966 14.376 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.870 -1.011 15.694 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.090 -1.624 16.792 1.00 0.00 H new ATOM 1330 N GLU A 88 6.986 -1.510 14.701 1.00 0.00 N ATOM 1331 CA GLU A 88 8.090 -0.908 13.963 1.00 0.00 C ATOM 1332 C GLU A 88 7.584 -0.203 12.707 1.00 0.00 C ATOM 1333 O GLU A 88 6.455 -0.425 12.269 1.00 0.00 O ATOM 1334 CB GLU A 88 9.121 -1.973 13.583 1.00 0.00 C ATOM 1335 CG GLU A 88 8.854 -2.626 12.238 1.00 0.00 C ATOM 1336 CD GLU A 88 9.885 -3.681 11.887 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.624 -4.113 12.797 1.00 0.00 O ATOM 1338 OE2 GLU A 88 9.953 -4.076 10.704 1.00 0.00 O ATOM 0 H GLU A 88 7.147 -2.476 14.987 1.00 0.00 H new ATOM 0 HA GLU A 88 8.564 -0.169 14.608 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.111 -1.518 13.566 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.137 -2.743 14.354 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.864 -3.081 12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.844 -1.860 11.462 1.00 0.00 H new ATOM 1345 N PHE A 89 8.428 0.647 12.132 1.00 0.00 N ATOM 1346 CA PHE A 89 8.068 1.386 10.928 1.00 0.00 C ATOM 1347 C PHE A 89 9.284 1.586 10.028 1.00 0.00 C ATOM 1348 O PHE A 89 10.251 2.245 10.411 1.00 0.00 O ATOM 1349 CB PHE A 89 7.464 2.743 11.298 1.00 0.00 C ATOM 1350 CG PHE A 89 6.022 2.664 11.710 1.00 0.00 C ATOM 1351 CD1 PHE A 89 5.017 2.602 10.758 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.671 2.653 13.051 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.689 2.530 11.135 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.345 2.580 13.433 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.353 2.520 12.474 1.00 0.00 C ATOM 0 H PHE A 89 9.367 0.841 12.481 1.00 0.00 H new ATOM 0 HA PHE A 89 7.326 0.803 10.382 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.043 3.180 12.112 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.554 3.416 10.446 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.274 2.610 9.709 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.442 2.702 13.805 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.915 2.482 10.383 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.085 2.570 14.481 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.316 2.465 12.771 1.00 0.00 H new ATOM 1365 N ARG A 90 9.227 1.013 8.831 1.00 0.00 N ATOM 1366 CA ARG A 90 10.323 1.126 7.877 1.00 0.00 C ATOM 1367 C ARG A 90 9.829 1.678 6.542 1.00 0.00 C ATOM 1368 O ARG A 90 9.012 1.052 5.866 1.00 0.00 O ATOM 1369 CB ARG A 90 10.985 -0.236 7.663 1.00 0.00 C ATOM 1370 CG ARG A 90 11.905 -0.651 8.800 1.00 0.00 C ATOM 1371 CD ARG A 90 12.884 -1.728 8.360 1.00 0.00 C ATOM 1372 NE ARG A 90 13.867 -2.031 9.396 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.584 -2.712 10.501 1.00 0.00 C ATOM 1374 NH1 ARG A 90 12.354 -3.159 10.711 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.533 -2.948 11.398 1.00 0.00 N ATOM 0 H ARG A 90 8.433 0.466 8.499 1.00 0.00 H new ATOM 0 HA ARG A 90 11.057 1.819 8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.210 -0.992 7.540 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.556 -0.211 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.456 0.218 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.309 -1.019 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.335 -2.635 8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.399 -1.402 7.456 1.00 0.00 H new ATOM 0 HE ARG A 90 14.823 -1.702 9.264 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.622 -2.980 10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.139 -3.682 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.481 -2.606 11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.315 -3.471 12.246 1.00 0.00 H new ATOM 1389 N ARG A 91 10.328 2.852 6.172 1.00 0.00 N ATOM 1390 CA ARG A 91 9.935 3.489 4.920 1.00 0.00 C ATOM 1391 C ARG A 91 10.252 2.588 3.730 1.00 0.00 C ATOM 1392 O ARG A 91 11.234 1.846 3.744 1.00 0.00 O ATOM 1393 CB ARG A 91 10.648 4.833 4.761 1.00 0.00 C ATOM 1394 CG ARG A 91 10.460 5.463 3.391 1.00 0.00 C ATOM 1395 CD ARG A 91 10.589 6.977 3.453 1.00 0.00 C ATOM 1396 NE ARG A 91 9.391 7.607 4.001 1.00 0.00 N ATOM 1397 CZ ARG A 91 9.280 8.913 4.217 1.00 0.00 C ATOM 1398 NH1 ARG A 91 10.290 9.723 3.932 1.00 0.00 N ATOM 1399 NH2 ARG A 91 8.157 9.411 4.718 1.00 0.00 N ATOM 0 H ARG A 91 11.005 3.382 6.721 1.00 0.00 H new ATOM 0 HA ARG A 91 8.859 3.659 4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.281 5.522 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.713 4.694 4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.201 5.061 2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.479 5.196 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.451 7.242 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.777 7.366 2.452 1.00 0.00 H new ATOM 0 HE ARG A 91 8.595 7.011 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.155 9.344 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.202 10.725 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.378 8.791 4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.073 10.414 4.883 1.00 0.00 H new ATOM 1413 N TYR A 92 9.414 2.659 2.702 1.00 0.00 N ATOM 1414 CA TYR A 92 9.602 1.848 1.505 1.00 0.00 C ATOM 1415 C TYR A 92 10.466 2.580 0.482 1.00 0.00 C ATOM 1416 O TYR A 92 9.965 3.369 -0.318 1.00 0.00 O ATOM 1417 CB TYR A 92 8.250 1.493 0.885 1.00 0.00 C ATOM 1418 CG TYR A 92 8.325 0.381 -0.136 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.656 0.648 -1.459 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.063 -0.936 0.220 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.726 -0.365 -2.396 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.131 -1.955 -0.710 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.463 -1.665 -2.017 1.00 0.00 C ATOM 1424 OH TYR A 92 8.530 -2.677 -2.946 1.00 0.00 O ATOM 0 H TYR A 92 8.598 3.270 2.673 1.00 0.00 H new ATOM 0 HA TYR A 92 10.112 0.930 1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.562 1.201 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.832 2.382 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.862 1.665 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.802 -1.167 1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.985 -0.140 -3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.925 -2.973 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 92 9.388 -2.632 -3.417 1.00 0.00 H new ATOM 1434 N GLN A 93 11.767 2.311 0.515 1.00 0.00 N ATOM 1435 CA GLN A 93 12.702 2.943 -0.408 1.00 0.00 C ATOM 1436 C GLN A 93 12.890 2.092 -1.660 1.00 0.00 C ATOM 1437 O GLN A 93 13.866 1.352 -1.779 1.00 0.00 O ATOM 1438 CB GLN A 93 14.051 3.172 0.275 1.00 0.00 C ATOM 1439 CG GLN A 93 14.083 4.407 1.160 1.00 0.00 C ATOM 1440 CD GLN A 93 14.517 5.651 0.411 1.00 0.00 C ATOM 1441 OE1 GLN A 93 14.062 5.910 -0.703 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.403 6.430 1.021 1.00 0.00 N ATOM 0 H GLN A 93 12.198 1.659 1.171 1.00 0.00 H new ATOM 0 HA GLN A 93 12.286 3.906 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.297 2.297 0.877 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.824 3.262 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.093 4.570 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.763 4.234 1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.754 6.177 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.733 7.281 0.566 1.00 0.00 H new ATOM 1451 N GLY A 94 11.948 2.202 -2.592 1.00 0.00 N ATOM 1452 CA GLY A 94 12.029 1.436 -3.822 1.00 0.00 C ATOM 1453 C GLY A 94 11.188 2.034 -4.933 1.00 0.00 C ATOM 1454 O GLY A 94 10.643 3.130 -4.807 1.00 0.00 O ATOM 0 H GLY A 94 11.131 2.808 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.068 1.383 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.701 0.414 -3.632 1.00 0.00 H new ATOM 1458 N PRO A 95 11.076 1.305 -6.053 1.00 0.00 N ATOM 1459 CA PRO A 95 10.298 1.750 -7.213 1.00 0.00 C ATOM 1460 C PRO A 95 8.798 1.744 -6.942 1.00 0.00 C ATOM 1461 O PRO A 95 8.015 2.296 -7.716 1.00 0.00 O ATOM 1462 CB PRO A 95 10.651 0.723 -8.292 1.00 0.00 C ATOM 1463 CG PRO A 95 11.046 -0.499 -7.537 1.00 0.00 C ATOM 1464 CD PRO A 95 11.699 -0.011 -6.273 1.00 0.00 C ATOM 0 HA PRO A 95 10.532 2.778 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.801 0.527 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.464 1.078 -8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.177 -1.118 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.733 -1.113 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.515 -0.687 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.780 0.070 -6.385 1.00 0.00 H new ATOM 1472 N ARG A 96 8.403 1.117 -5.839 1.00 0.00 N ATOM 1473 CA ARG A 96 6.995 1.039 -5.466 1.00 0.00 C ATOM 1474 C ARG A 96 6.201 0.252 -6.505 1.00 0.00 C ATOM 1475 O ARG A 96 5.047 0.570 -6.792 1.00 0.00 O ATOM 1476 CB ARG A 96 6.407 2.443 -5.316 1.00 0.00 C ATOM 1477 CG ARG A 96 7.069 3.267 -4.224 1.00 0.00 C ATOM 1478 CD ARG A 96 6.358 4.596 -4.019 1.00 0.00 C ATOM 1479 NE ARG A 96 7.235 5.600 -3.424 1.00 0.00 N ATOM 1480 CZ ARG A 96 8.242 6.174 -4.073 1.00 0.00 C ATOM 1481 NH1 ARG A 96 8.498 5.844 -5.331 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.996 7.080 -3.463 1.00 0.00 N ATOM 0 H ARG A 96 9.038 0.655 -5.188 1.00 0.00 H new ATOM 0 HA ARG A 96 6.926 0.519 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.501 2.971 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.341 2.360 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.067 2.704 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.112 3.448 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.988 4.960 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.490 4.447 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 96 7.065 5.876 -2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.921 5.148 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.272 6.286 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.803 7.336 -2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.769 7.520 -3.962 1.00 0.00 H new ATOM 1496 N THR A 97 6.828 -0.778 -7.065 1.00 0.00 N ATOM 1497 CA THR A 97 6.181 -1.610 -8.072 1.00 0.00 C ATOM 1498 C THR A 97 5.691 -2.921 -7.470 1.00 0.00 C ATOM 1499 O THR A 97 6.148 -3.337 -6.405 1.00 0.00 O ATOM 1500 CB THR A 97 7.134 -1.919 -9.242 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.358 -2.471 -8.743 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.430 -0.663 -10.047 1.00 0.00 C ATOM 0 H THR A 97 7.783 -1.056 -6.838 1.00 0.00 H new ATOM 0 HA THR A 97 5.328 -1.045 -8.448 1.00 0.00 H new ATOM 0 HB THR A 97 6.648 -2.643 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.958 -2.667 -9.493 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.105 -0.907 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.500 -0.261 -10.450 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.897 0.081 -9.402 1.00 0.00 H new ATOM 1510 N LYS A 98 4.759 -3.571 -8.158 1.00 0.00 N ATOM 1511 CA LYS A 98 4.207 -4.838 -7.693 1.00 0.00 C ATOM 1512 C LYS A 98 5.313 -5.866 -7.475 1.00 0.00 C ATOM 1513 O LYS A 98 5.593 -6.262 -6.343 1.00 0.00 O ATOM 1514 CB LYS A 98 3.189 -5.376 -8.701 1.00 0.00 C ATOM 1515 CG LYS A 98 2.269 -6.440 -8.128 1.00 0.00 C ATOM 1516 CD LYS A 98 1.722 -7.349 -9.216 1.00 0.00 C ATOM 1517 CE LYS A 98 2.653 -8.522 -9.483 1.00 0.00 C ATOM 1518 NZ LYS A 98 3.621 -8.224 -10.574 1.00 0.00 N ATOM 0 H LYS A 98 4.369 -3.241 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 98 3.707 -4.660 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.586 -4.548 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.722 -5.791 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.812 -7.035 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.442 -5.963 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.741 -7.722 -8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.583 -6.777 -10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.198 -8.768 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.064 -9.400 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.920 -9.112 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.168 -7.611 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.452 -7.740 -10.178 1.00 0.00 H new ATOM 1532 N LYS A 99 5.941 -6.293 -8.565 1.00 0.00 N ATOM 1533 CA LYS A 99 7.019 -7.273 -8.494 1.00 0.00 C ATOM 1534 C LYS A 99 7.921 -7.002 -7.294 1.00 0.00 C ATOM 1535 O LYS A 99 8.110 -7.868 -6.440 1.00 0.00 O ATOM 1536 CB LYS A 99 7.844 -7.248 -9.782 1.00 0.00 C ATOM 1537 CG LYS A 99 9.067 -8.148 -9.739 1.00 0.00 C ATOM 1538 CD LYS A 99 10.304 -7.388 -9.291 1.00 0.00 C ATOM 1539 CE LYS A 99 11.238 -8.272 -8.479 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.658 -7.843 -8.607 1.00 0.00 N ATOM 0 H LYS A 99 5.722 -5.976 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 99 6.573 -8.260 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.210 -7.550 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.163 -6.225 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.884 -8.980 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.240 -8.576 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.832 -7.004 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.006 -6.526 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.943 -8.244 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.140 -9.306 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.263 -8.470 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.947 -7.893 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.757 -6.865 -8.267 1.00 0.00 H new ATOM 1554 N ASP A 100 8.475 -5.796 -7.236 1.00 0.00 N ATOM 1555 CA ASP A 100 9.355 -5.410 -6.140 1.00 0.00 C ATOM 1556 C ASP A 100 8.699 -5.691 -4.791 1.00 0.00 C ATOM 1557 O ASP A 100 9.241 -6.428 -3.967 1.00 0.00 O ATOM 1558 CB ASP A 100 9.718 -3.928 -6.245 1.00 0.00 C ATOM 1559 CG ASP A 100 10.956 -3.576 -5.444 1.00 0.00 C ATOM 1560 OD1 ASP A 100 12.071 -3.918 -5.894 1.00 0.00 O ATOM 1561 OD2 ASP A 100 10.811 -2.959 -4.369 1.00 0.00 O ATOM 0 H ASP A 100 8.330 -5.068 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 100 10.266 -6.005 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.881 -3.670 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.879 -3.326 -5.895 1.00 0.00 H new ATOM 1566 N PHE A 101 7.530 -5.097 -4.573 1.00 0.00 N ATOM 1567 CA PHE A 101 6.801 -5.282 -3.324 1.00 0.00 C ATOM 1568 C PHE A 101 6.938 -6.716 -2.821 1.00 0.00 C ATOM 1569 O PHE A 101 7.432 -6.954 -1.719 1.00 0.00 O ATOM 1570 CB PHE A 101 5.323 -4.935 -3.515 1.00 0.00 C ATOM 1571 CG PHE A 101 5.040 -3.462 -3.451 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.583 -2.682 -2.442 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.232 -2.856 -4.400 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.323 -1.326 -2.381 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.969 -1.500 -4.344 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.516 -0.734 -3.333 1.00 0.00 C ATOM 0 H PHE A 101 7.068 -4.484 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 101 7.231 -4.612 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.989 -5.319 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.737 -5.443 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.216 -3.139 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.803 -3.450 -5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.751 -0.729 -1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.337 -1.040 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.313 0.326 -3.287 1.00 0.00 H new ATOM 1586 N ILE A 102 6.495 -7.667 -3.637 1.00 0.00 N ATOM 1587 CA ILE A 102 6.568 -9.078 -3.276 1.00 0.00 C ATOM 1588 C ILE A 102 7.806 -9.366 -2.433 1.00 0.00 C ATOM 1589 O ILE A 102 7.702 -9.706 -1.255 1.00 0.00 O ATOM 1590 CB ILE A 102 6.590 -9.978 -4.525 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.173 -10.160 -5.074 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.213 -11.326 -4.195 1.00 0.00 C ATOM 1593 CD1 ILE A 102 4.818 -9.175 -6.166 1.00 0.00 C ATOM 0 H ILE A 102 6.082 -7.486 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 102 5.674 -9.302 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 102 7.197 -9.497 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.070 -11.173 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.459 -10.057 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.222 -11.951 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.235 -11.179 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.630 -11.815 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.800 -9.362 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.889 -8.159 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.509 -9.293 -7.001 1.00 0.00 H new ATOM 1605 N ASN A 103 8.977 -9.226 -3.045 1.00 0.00 N ATOM 1606 CA ASN A 103 10.236 -9.470 -2.351 1.00 0.00 C ATOM 1607 C ASN A 103 10.265 -8.749 -1.006 1.00 0.00 C ATOM 1608 O ASN A 103 10.533 -9.357 0.031 1.00 0.00 O ATOM 1609 CB ASN A 103 11.415 -9.012 -3.212 1.00 0.00 C ATOM 1610 CG ASN A 103 11.605 -9.881 -4.441 1.00 0.00 C ATOM 1611 OD1 ASN A 103 10.897 -9.549 -5.514 1.00 0.00 O flip ATOM 1612 ND2 ASN A 103 12.378 -10.838 -4.425 1.00 0.00 N flip ATOM 0 H ASN A 103 9.080 -8.945 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 103 10.320 -10.542 -2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.256 -7.979 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.326 -9.029 -2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.902 -11.056 -3.578 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.495 -11.413 -5.259 1.00 0.00 H new ATOM 1619 N PHE A 104 9.986 -7.450 -1.031 1.00 0.00 N ATOM 1620 CA PHE A 104 9.980 -6.646 0.185 1.00 0.00 C ATOM 1621 C PHE A 104 9.209 -7.350 1.298 1.00 0.00 C ATOM 1622 O PHE A 104 9.443 -7.102 2.482 1.00 0.00 O ATOM 1623 CB PHE A 104 9.363 -5.273 -0.089 1.00 0.00 C ATOM 1624 CG PHE A 104 9.528 -4.304 1.047 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.702 -3.582 1.193 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.510 -4.116 1.968 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.857 -2.689 2.237 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.660 -3.224 3.013 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.835 -2.511 3.149 1.00 0.00 C ATOM 0 H PHE A 104 9.761 -6.932 -1.880 1.00 0.00 H new ATOM 0 HA PHE A 104 11.012 -6.514 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.818 -4.851 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.301 -5.396 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.505 -3.718 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.590 -4.672 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.776 -2.131 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.858 -3.085 3.723 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.954 -1.816 3.967 1.00 0.00 H new ATOM 1639 N ILE A 105 8.290 -8.227 0.910 1.00 0.00 N ATOM 1640 CA ILE A 105 7.485 -8.967 1.874 1.00 0.00 C ATOM 1641 C ILE A 105 8.094 -10.335 2.164 1.00 0.00 C ATOM 1642 O ILE A 105 8.416 -10.652 3.308 1.00 0.00 O ATOM 1643 CB ILE A 105 6.041 -9.155 1.375 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.388 -7.796 1.111 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.230 -9.950 2.387 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.319 -6.911 2.336 1.00 0.00 C ATOM 0 H ILE A 105 8.084 -8.443 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 105 7.470 -8.378 2.791 1.00 0.00 H new ATOM 0 HB ILE A 105 6.066 -9.713 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.946 -7.279 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.379 -7.955 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.211 -10.074 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.686 -10.929 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.210 -9.416 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.845 -5.965 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.736 -7.408 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.327 -6.722 2.705 1.00 0.00 H new ATOM 1658 N SER A 106 8.249 -11.140 1.118 1.00 0.00 N ATOM 1659 CA SER A 106 8.817 -12.476 1.259 1.00 0.00 C ATOM 1660 C SER A 106 10.288 -12.401 1.656 1.00 0.00 C ATOM 1661 O SER A 106 10.701 -12.978 2.662 1.00 0.00 O ATOM 1662 CB SER A 106 8.668 -13.257 -0.048 1.00 0.00 C ATOM 1663 OG SER A 106 7.428 -13.942 -0.094 1.00 0.00 O ATOM 0 H SER A 106 7.989 -10.891 0.164 1.00 0.00 H new ATOM 0 HA SER A 106 8.272 -12.995 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.741 -12.574 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.486 -13.971 -0.144 1.00 0.00 H new ATOM 0 HG SER A 106 7.356 -14.432 -0.940 1.00 0.00 H new ATOM 1669 N ASP A 107 11.074 -11.686 0.858 1.00 0.00 N ATOM 1670 CA ASP A 107 12.499 -11.534 1.125 1.00 0.00 C ATOM 1671 C ASP A 107 12.732 -10.653 2.348 1.00 0.00 C ATOM 1672 O ASP A 107 13.831 -10.619 2.903 1.00 0.00 O ATOM 1673 CB ASP A 107 13.207 -10.937 -0.092 1.00 0.00 C ATOM 1674 CG ASP A 107 13.546 -11.983 -1.136 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.641 -12.753 -1.519 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.715 -12.030 -1.570 1.00 0.00 O ATOM 0 H ASP A 107 10.748 -11.203 0.021 1.00 0.00 H new ATOM 0 HA ASP A 107 12.913 -12.522 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.571 -10.173 -0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.122 -10.441 0.231 1.00 0.00 H new ATOM 1681 N LYS A 108 11.691 -9.939 2.763 1.00 0.00 N ATOM 1682 CA LYS A 108 11.780 -9.056 3.921 1.00 0.00 C ATOM 1683 C LYS A 108 12.907 -8.043 3.746 1.00 0.00 C ATOM 1684 O LYS A 108 13.730 -7.858 4.641 1.00 0.00 O ATOM 1685 CB LYS A 108 12.007 -9.873 5.195 1.00 0.00 C ATOM 1686 CG LYS A 108 10.951 -10.939 5.430 1.00 0.00 C ATOM 1687 CD LYS A 108 11.450 -12.019 6.375 1.00 0.00 C ATOM 1688 CE LYS A 108 10.757 -13.349 6.118 1.00 0.00 C ATOM 1689 NZ LYS A 108 11.337 -14.445 6.941 1.00 0.00 N ATOM 0 H LYS A 108 10.775 -9.954 2.314 1.00 0.00 H new ATOM 0 HA LYS A 108 10.838 -8.514 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.986 -10.349 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.027 -9.198 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.054 -10.479 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.669 -11.389 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.527 -12.140 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.276 -11.710 7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.694 -13.253 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.842 -13.604 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.838 -15.334 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.346 -14.554 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.234 -14.214 7.950 1.00 0.00 H new ATOM 1703 N GLU A 109 12.934 -7.389 2.589 1.00 0.00 N ATOM 1704 CA GLU A 109 13.960 -6.394 2.299 1.00 0.00 C ATOM 1705 C GLU A 109 13.995 -5.318 3.381 1.00 0.00 C ATOM 1706 O GLU A 109 15.061 -4.818 3.739 1.00 0.00 O ATOM 1707 CB GLU A 109 13.708 -5.751 0.934 1.00 0.00 C ATOM 1708 CG GLU A 109 13.926 -6.699 -0.234 1.00 0.00 C ATOM 1709 CD GLU A 109 13.941 -5.983 -1.571 1.00 0.00 C ATOM 1710 OE1 GLU A 109 14.701 -5.002 -1.711 1.00 0.00 O ATOM 1711 OE2 GLU A 109 13.193 -6.405 -2.477 1.00 0.00 O ATOM 0 H GLU A 109 12.258 -7.530 1.838 1.00 0.00 H new ATOM 0 HA GLU A 109 14.925 -6.900 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.685 -5.377 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.366 -4.890 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.870 -7.226 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.138 -7.452 -0.238 1.00 0.00 H new ATOM 1718 N TRP A 110 12.822 -4.967 3.896 1.00 0.00 N ATOM 1719 CA TRP A 110 12.718 -3.950 4.936 1.00 0.00 C ATOM 1720 C TRP A 110 13.883 -4.049 5.914 1.00 0.00 C ATOM 1721 O TRP A 110 14.380 -3.037 6.409 1.00 0.00 O ATOM 1722 CB TRP A 110 11.393 -4.092 5.686 1.00 0.00 C ATOM 1723 CG TRP A 110 11.117 -5.492 6.145 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.472 -6.472 5.445 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.478 -6.068 7.405 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.409 -7.622 6.195 1.00 0.00 N ATOM 1727 CE2 TRP A 110 11.020 -7.400 7.401 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.145 -5.588 8.536 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.208 -8.254 8.484 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.330 -6.437 9.610 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.864 -7.758 9.578 1.00 0.00 C ATOM 0 H TRP A 110 11.930 -5.371 3.611 1.00 0.00 H new ATOM 0 HA TRP A 110 12.753 -2.972 4.457 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.400 -3.429 6.551 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.580 -3.763 5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.071 -6.360 4.449 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.977 -8.498 5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.509 -4.572 8.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.849 -9.272 8.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.843 -6.076 10.489 1.00 0.00 H new ATOM 0 HH2 TRP A 110 12.026 -8.397 10.433 1.00 0.00 H new ATOM 1742 N LYS A 111 14.316 -5.275 6.188 1.00 0.00 N ATOM 1743 CA LYS A 111 15.425 -5.508 7.106 1.00 0.00 C ATOM 1744 C LYS A 111 16.613 -4.616 6.762 1.00 0.00 C ATOM 1745 O LYS A 111 17.187 -3.965 7.635 1.00 0.00 O ATOM 1746 CB LYS A 111 15.848 -6.978 7.065 1.00 0.00 C ATOM 1747 CG LYS A 111 14.876 -7.911 7.765 1.00 0.00 C ATOM 1748 CD LYS A 111 15.121 -7.950 9.264 1.00 0.00 C ATOM 1749 CE LYS A 111 14.636 -9.256 9.875 1.00 0.00 C ATOM 1750 NZ LYS A 111 15.697 -10.301 9.864 1.00 0.00 N ATOM 0 H LYS A 111 13.916 -6.123 5.787 1.00 0.00 H new ATOM 0 HA LYS A 111 15.088 -5.261 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.952 -7.289 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.830 -7.078 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.854 -7.585 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.974 -8.915 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.186 -7.827 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.610 -7.113 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.311 -9.079 10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.767 -9.615 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.327 -11.175 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.989 -10.489 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.516 -9.970 10.412 1.00 0.00 H new ATOM 1764 N SER A 112 16.976 -4.589 5.483 1.00 0.00 N ATOM 1765 CA SER A 112 18.098 -3.778 5.024 1.00 0.00 C ATOM 1766 C SER A 112 17.849 -2.299 5.303 1.00 0.00 C ATOM 1767 O SER A 112 18.784 -1.538 5.554 1.00 0.00 O ATOM 1768 CB SER A 112 18.331 -3.994 3.528 1.00 0.00 C ATOM 1769 OG SER A 112 19.582 -3.463 3.125 1.00 0.00 O ATOM 0 H SER A 112 16.510 -5.119 4.747 1.00 0.00 H new ATOM 0 HA SER A 112 18.988 -4.088 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.295 -5.060 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.531 -3.520 2.960 1.00 0.00 H new ATOM 0 HG SER A 112 19.708 -3.615 2.165 1.00 0.00 H new ATOM 1775 N ILE A 113 16.582 -1.900 5.258 1.00 0.00 N ATOM 1776 CA ILE A 113 16.209 -0.513 5.507 1.00 0.00 C ATOM 1777 C ILE A 113 16.093 -0.235 7.002 1.00 0.00 C ATOM 1778 O ILE A 113 15.568 -1.054 7.756 1.00 0.00 O ATOM 1779 CB ILE A 113 14.876 -0.157 4.825 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.950 -0.452 3.325 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.530 1.305 5.066 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.603 -0.433 2.638 1.00 0.00 C ATOM 0 H ILE A 113 15.797 -2.518 5.051 1.00 0.00 H new ATOM 0 HA ILE A 113 17.000 0.107 5.085 1.00 0.00 H new ATOM 0 HB ILE A 113 14.088 -0.773 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.601 0.282 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.410 -1.429 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.585 1.541 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.440 1.486 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.318 1.938 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.732 -0.650 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.955 -1.186 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.149 0.551 2.754 1.00 0.00 H new ATOM 1794 N GLU A 114 16.584 0.926 7.423 1.00 0.00 N ATOM 1795 CA GLU A 114 16.534 1.312 8.828 1.00 0.00 C ATOM 1796 C GLU A 114 15.176 1.914 9.179 1.00 0.00 C ATOM 1797 O GLU A 114 14.550 2.608 8.376 1.00 0.00 O ATOM 1798 CB GLU A 114 17.645 2.315 9.145 1.00 0.00 C ATOM 1799 CG GLU A 114 19.042 1.776 8.888 1.00 0.00 C ATOM 1800 CD GLU A 114 20.118 2.828 9.080 1.00 0.00 C ATOM 1801 OE1 GLU A 114 20.359 3.225 10.238 1.00 0.00 O ATOM 1802 OE2 GLU A 114 20.718 3.252 8.070 1.00 0.00 O ATOM 0 H GLU A 114 17.021 1.616 6.811 1.00 0.00 H new ATOM 0 HA GLU A 114 16.682 0.415 9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.495 3.213 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.566 2.613 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.234 0.939 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.096 1.388 7.871 1.00 0.00 H new ATOM 1809 N PRO A 115 14.708 1.643 10.406 1.00 0.00 N ATOM 1810 CA PRO A 115 13.420 2.148 10.891 1.00 0.00 C ATOM 1811 C PRO A 115 13.438 3.655 11.125 1.00 0.00 C ATOM 1812 O PRO A 115 14.500 4.252 11.306 1.00 0.00 O ATOM 1813 CB PRO A 115 13.223 1.404 12.215 1.00 0.00 C ATOM 1814 CG PRO A 115 14.602 1.064 12.666 1.00 0.00 C ATOM 1815 CD PRO A 115 15.400 0.823 11.414 1.00 0.00 C ATOM 0 HA PRO A 115 12.620 1.982 10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.709 2.027 12.947 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.618 0.507 12.079 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.032 1.876 13.253 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.597 0.179 13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.440 1.128 11.535 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.407 -0.232 11.138 1.00 0.00 H new ATOM 1823 N VAL A 116 12.257 4.264 11.120 1.00 0.00 N ATOM 1824 CA VAL A 116 12.138 5.702 11.333 1.00 0.00 C ATOM 1825 C VAL A 116 12.431 6.068 12.783 1.00 0.00 C ATOM 1826 O VAL A 116 12.571 5.195 13.639 1.00 0.00 O ATOM 1827 CB VAL A 116 10.732 6.209 10.961 1.00 0.00 C ATOM 1828 CG1 VAL A 116 10.508 6.109 9.460 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.667 5.433 11.721 1.00 0.00 C ATOM 0 H VAL A 116 11.369 3.785 10.971 1.00 0.00 H new ATOM 0 HA VAL A 116 12.872 6.181 10.685 1.00 0.00 H new ATOM 0 HB VAL A 116 10.656 7.258 11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.509 6.472 9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.251 6.714 8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.603 5.069 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.680 5.805 11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.739 4.375 11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.818 5.563 12.793 1.00 0.00 H new ATOM 1839 N SER A 117 12.524 7.367 13.053 1.00 0.00 N ATOM 1840 CA SER A 117 12.804 7.850 14.399 1.00 0.00 C ATOM 1841 C SER A 117 11.978 7.091 15.432 1.00 0.00 C ATOM 1842 O SER A 117 12.523 6.411 16.302 1.00 0.00 O ATOM 1843 CB SER A 117 12.512 9.349 14.498 1.00 0.00 C ATOM 1844 OG SER A 117 13.483 10.105 13.796 1.00 0.00 O ATOM 0 H SER A 117 12.409 8.103 12.356 1.00 0.00 H new ATOM 0 HA SER A 117 13.860 7.678 14.606 1.00 0.00 H new ATOM 0 HB2 SER A 117 11.522 9.557 14.093 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.498 9.652 15.545 1.00 0.00 H new ATOM 0 HG SER A 117 13.273 11.059 13.873 1.00 0.00 H new ATOM 1850 N SER A 118 10.658 7.211 15.330 1.00 0.00 N ATOM 1851 CA SER A 118 9.754 6.540 16.256 1.00 0.00 C ATOM 1852 C SER A 118 8.302 6.724 15.829 1.00 0.00 C ATOM 1853 O SER A 118 8.017 7.370 14.820 1.00 0.00 O ATOM 1854 CB SER A 118 9.953 7.077 17.675 1.00 0.00 C ATOM 1855 OG SER A 118 9.900 8.493 17.696 1.00 0.00 O ATOM 0 H SER A 118 10.191 7.768 14.614 1.00 0.00 H new ATOM 0 HA SER A 118 9.985 5.475 16.242 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.184 6.671 18.332 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.914 6.740 18.063 1.00 0.00 H new ATOM 0 HG SER A 118 10.028 8.812 18.614 1.00 0.00 H new ATOM 1861 N TRP A 119 7.387 6.153 16.604 1.00 0.00 N ATOM 1862 CA TRP A 119 5.962 6.254 16.306 1.00 0.00 C ATOM 1863 C TRP A 119 5.300 7.322 17.170 1.00 0.00 C ATOM 1864 O TRP A 119 4.910 7.059 18.308 1.00 0.00 O ATOM 1865 CB TRP A 119 5.277 4.905 16.527 1.00 0.00 C ATOM 1866 CG TRP A 119 3.782 4.996 16.562 1.00 0.00 C ATOM 1867 CD1 TRP A 119 2.969 4.734 17.627 1.00 0.00 C ATOM 1868 CD2 TRP A 119 2.921 5.375 15.482 1.00 0.00 C ATOM 1869 NE1 TRP A 119 1.655 4.927 17.275 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.599 5.321 15.965 1.00 0.00 C ATOM 1871 CE3 TRP A 119 3.138 5.756 14.155 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.502 5.633 15.166 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 2.048 6.065 13.364 1.00 0.00 C ATOM 1874 CH2 TRP A 119 0.744 6.003 13.871 1.00 0.00 C ATOM 0 H TRP A 119 7.606 5.616 17.443 1.00 0.00 H new ATOM 0 HA TRP A 119 5.854 6.541 15.260 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.574 4.221 15.732 1.00 0.00 H new ATOM 0 HB3 TRP A 119 5.630 4.476 17.465 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.309 4.421 18.603 1.00 0.00 H new ATOM 0 HE1 TRP A 119 0.852 4.798 17.890 1.00 0.00 H new ATOM 0 HE3 TRP A 119 4.140 5.808 13.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.504 5.585 15.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.204 6.359 12.337 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.087 6.252 13.227 1.00 0.00 H new ATOM 1885 N PHE A 120 5.176 8.527 16.623 1.00 0.00 N ATOM 1886 CA PHE A 120 4.561 9.634 17.346 1.00 0.00 C ATOM 1887 C PHE A 120 3.048 9.638 17.149 1.00 0.00 C ATOM 1888 O PHE A 120 2.552 9.964 16.071 1.00 0.00 O ATOM 1889 CB PHE A 120 5.151 10.966 16.877 1.00 0.00 C ATOM 1890 CG PHE A 120 4.982 12.079 17.872 1.00 0.00 C ATOM 1891 CD1 PHE A 120 5.697 12.081 19.058 1.00 0.00 C ATOM 1892 CD2 PHE A 120 4.107 13.124 17.620 1.00 0.00 C ATOM 1893 CE1 PHE A 120 5.544 13.103 19.975 1.00 0.00 C ATOM 1894 CE2 PHE A 120 3.950 14.149 18.533 1.00 0.00 C ATOM 1895 CZ PHE A 120 4.669 14.139 19.712 1.00 0.00 C ATOM 0 H PHE A 120 5.493 8.761 15.682 1.00 0.00 H new ATOM 0 HA PHE A 120 4.771 9.504 18.408 1.00 0.00 H new ATOM 0 HB2 PHE A 120 6.213 10.832 16.671 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.678 11.254 15.938 1.00 0.00 H new ATOM 0 HD1 PHE A 120 6.383 11.274 19.269 1.00 0.00 H new ATOM 0 HD2 PHE A 120 3.542 13.137 16.700 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.108 13.092 20.896 1.00 0.00 H new ATOM 0 HE2 PHE A 120 3.265 14.958 18.325 1.00 0.00 H new ATOM 0 HZ PHE A 120 4.547 14.939 20.427 1.00 0.00 H new ATOM 1905 N SER A 121 2.320 9.273 18.200 1.00 0.00 N ATOM 1906 CA SER A 121 0.863 9.230 18.143 1.00 0.00 C ATOM 1907 C SER A 121 0.253 9.782 19.427 1.00 0.00 C ATOM 1908 O SER A 121 0.939 9.942 20.436 1.00 0.00 O ATOM 1909 CB SER A 121 0.383 7.796 17.912 1.00 0.00 C ATOM 1910 OG SER A 121 0.466 7.032 19.103 1.00 0.00 O ATOM 0 H SER A 121 2.715 9.003 19.101 1.00 0.00 H new ATOM 0 HA SER A 121 0.538 9.853 17.310 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.647 7.807 17.554 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.986 7.328 17.134 1.00 0.00 H new ATOM 0 HG SER A 121 1.032 6.247 18.949 1.00 0.00 H new ATOM 1916 N GLY A 122 -1.044 10.072 19.382 1.00 0.00 N ATOM 1917 CA GLY A 122 -1.727 10.603 20.547 1.00 0.00 C ATOM 1918 C GLY A 122 -2.322 9.514 21.417 1.00 0.00 C ATOM 1919 O GLY A 122 -2.106 8.323 21.193 1.00 0.00 O ATOM 0 H GLY A 122 -1.634 9.949 18.559 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.026 11.193 21.138 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.519 11.278 20.223 1.00 0.00 H new ATOM 1923 N PRO A 123 -3.090 9.920 22.439 1.00 0.00 N ATOM 1924 CA PRO A 123 -3.732 8.985 23.367 1.00 0.00 C ATOM 1925 C PRO A 123 -4.858 8.195 22.708 1.00 0.00 C ATOM 1926 O PRO A 123 -4.947 6.977 22.863 1.00 0.00 O ATOM 1927 CB PRO A 123 -4.290 9.899 24.461 1.00 0.00 C ATOM 1928 CG PRO A 123 -4.484 11.216 23.793 1.00 0.00 C ATOM 1929 CD PRO A 123 -3.390 11.324 22.766 1.00 0.00 C ATOM 0 HA PRO A 123 -3.035 8.233 23.735 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.230 9.514 24.857 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.599 9.979 25.300 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -5.466 11.275 23.325 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -4.425 12.032 24.514 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.717 11.880 21.887 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.516 11.840 23.163 1.00 0.00 H new ATOM 1937 N SER A 124 -5.714 8.896 21.972 1.00 0.00 N ATOM 1938 CA SER A 124 -6.836 8.260 21.291 1.00 0.00 C ATOM 1939 C SER A 124 -7.897 7.814 22.293 1.00 0.00 C ATOM 1940 O SER A 124 -8.460 6.726 22.175 1.00 0.00 O ATOM 1941 CB SER A 124 -6.351 7.059 20.476 1.00 0.00 C ATOM 1942 OG SER A 124 -7.282 6.723 19.462 1.00 0.00 O ATOM 0 H SER A 124 -5.652 9.904 21.832 1.00 0.00 H new ATOM 0 HA SER A 124 -7.282 8.991 20.617 1.00 0.00 H new ATOM 0 HB2 SER A 124 -5.385 7.287 20.026 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.202 6.204 21.135 1.00 0.00 H new ATOM 0 HG SER A 124 -8.162 6.566 19.864 1.00 0.00 H new ATOM 1948 N SER A 125 -8.165 8.664 23.280 1.00 0.00 N ATOM 1949 CA SER A 125 -9.155 8.357 24.305 1.00 0.00 C ATOM 1950 C SER A 125 -10.233 9.435 24.359 1.00 0.00 C ATOM 1951 O SER A 125 -9.992 10.588 24.004 1.00 0.00 O ATOM 1952 CB SER A 125 -8.481 8.225 25.672 1.00 0.00 C ATOM 1953 OG SER A 125 -8.040 9.486 26.147 1.00 0.00 O ATOM 0 H SER A 125 -7.710 9.570 23.391 1.00 0.00 H new ATOM 0 HA SER A 125 -9.626 7.409 24.047 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.180 7.788 26.385 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.633 7.544 25.599 1.00 0.00 H new ATOM 0 HG SER A 125 -7.614 9.375 27.023 1.00 0.00 H new ATOM 1959 N GLY A 126 -11.425 9.050 24.807 1.00 0.00 N ATOM 1960 CA GLY A 126 -12.523 9.995 24.899 1.00 0.00 C ATOM 1961 C GLY A 126 -13.328 10.075 23.618 1.00 0.00 C ATOM 1962 O GLY A 126 -13.874 9.074 23.156 1.00 0.00 O ATOM 0 H GLY A 126 -11.649 8.101 25.107 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -13.180 9.706 25.719 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -12.129 10.983 25.139 1.00 0.00 H new TER 1966 GLY A 126