USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot -30:sc= 0.138 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 160:sc= -1.23 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 133:sc= 0.04 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= -0.47 (180deg=-3.06!) USER MOD Single : A 52 ASN : amide:sc= -0.275 X(o=-0.28,f=0.12) USER MOD Single : A 53 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 66 CYS SG : rot -67:sc= -4.82! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0747 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.544 1.296 3.912 1.00 0.00 N ATOM 79 CA SER A 9 -11.612 0.272 3.473 1.00 0.00 C ATOM 80 C SER A 9 -12.369 -1.013 3.133 1.00 0.00 C ATOM 81 O SER A 9 -13.588 -1.078 3.283 1.00 0.00 O ATOM 82 CB SER A 9 -10.552 -0.004 4.541 1.00 0.00 C ATOM 83 OG SER A 9 -11.133 -0.250 5.818 1.00 0.00 O ATOM 0 HA SER A 9 -11.103 0.634 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.953 -0.865 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.875 0.848 4.609 1.00 0.00 H new ATOM 0 HG SER A 9 -11.973 0.249 5.897 1.00 0.00 H new ATOM 89 N LYS A 10 -11.615 -2.005 2.681 1.00 0.00 N ATOM 90 CA LYS A 10 -12.200 -3.285 2.318 1.00 0.00 C ATOM 91 C LYS A 10 -11.090 -4.330 2.192 1.00 0.00 C ATOM 92 O LYS A 10 -9.928 -3.985 1.984 1.00 0.00 O ATOM 93 CB LYS A 10 -13.058 -3.144 1.059 1.00 0.00 C ATOM 94 CG LYS A 10 -12.230 -2.614 -0.113 1.00 0.00 C ATOM 95 CD LYS A 10 -12.998 -1.541 -0.887 1.00 0.00 C ATOM 96 CE LYS A 10 -12.223 -1.102 -2.130 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.938 -0.010 -2.828 1.00 0.00 N ATOM 0 H LYS A 10 -10.604 -1.948 2.558 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.877 -3.630 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.488 -4.111 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.890 -2.468 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.293 -2.199 0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.973 -3.435 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.974 -1.928 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.177 -0.680 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.226 -0.767 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.094 -1.949 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.398 0.276 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.880 -0.341 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.039 0.804 -2.188 1.00 0.00 H new ATOM 111 N PRO A 11 -11.498 -5.620 2.328 1.00 0.00 N ATOM 112 CA PRO A 11 -10.552 -6.719 2.232 1.00 0.00 C ATOM 113 C PRO A 11 -10.143 -6.965 0.778 1.00 0.00 C ATOM 114 O PRO A 11 -10.941 -7.453 -0.021 1.00 0.00 O ATOM 115 CB PRO A 11 -11.264 -7.907 2.858 1.00 0.00 C ATOM 116 CG PRO A 11 -12.742 -7.554 2.859 1.00 0.00 C ATOM 117 CD PRO A 11 -12.867 -6.066 2.576 1.00 0.00 C ATOM 0 HA PRO A 11 -9.616 -6.514 2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.080 -8.817 2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.905 -8.088 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.273 -8.132 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.192 -7.799 3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.507 -5.879 1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.309 -5.538 3.421 1.00 0.00 H new ATOM 125 N ILE A 12 -8.901 -6.614 0.479 1.00 0.00 N ATOM 126 CA ILE A 12 -8.377 -6.790 -0.865 1.00 0.00 C ATOM 127 C ILE A 12 -7.441 -8.001 -0.888 1.00 0.00 C ATOM 128 O ILE A 12 -7.046 -8.505 0.163 1.00 0.00 O ATOM 129 CB ILE A 12 -7.723 -5.498 -1.359 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.509 -5.136 -0.502 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.742 -4.358 -1.422 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.545 -4.231 -1.272 1.00 0.00 C ATOM 0 H ILE A 12 -8.242 -6.209 1.144 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.186 -6.998 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.362 -5.663 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.838 -4.633 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.993 -6.045 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.252 -3.451 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.547 -4.627 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.154 -4.183 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.691 -3.988 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.199 -4.747 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.058 -3.312 -1.557 1.00 0.00 H new ATOM 144 N LYS A 13 -7.113 -8.432 -2.097 1.00 0.00 N ATOM 145 CA LYS A 13 -6.231 -9.574 -2.270 1.00 0.00 C ATOM 146 C LYS A 13 -4.936 -9.114 -2.943 1.00 0.00 C ATOM 147 O LYS A 13 -4.969 -8.342 -3.900 1.00 0.00 O ATOM 148 CB LYS A 13 -6.949 -10.696 -3.021 1.00 0.00 C ATOM 149 CG LYS A 13 -5.963 -11.779 -3.463 1.00 0.00 C ATOM 150 CD LYS A 13 -6.337 -13.138 -2.867 1.00 0.00 C ATOM 151 CE LYS A 13 -7.603 -13.693 -3.522 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.311 -14.603 -2.593 1.00 0.00 N ATOM 0 H LYS A 13 -7.442 -8.011 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.957 -9.994 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.714 -11.135 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.459 -10.286 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.954 -11.845 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.955 -11.507 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.514 -13.839 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.493 -13.038 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.261 -12.873 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.343 -14.227 -4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.168 -14.971 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.687 -15.395 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.576 -14.083 -1.732 1.00 0.00 H new ATOM 166 N VAL A 14 -3.825 -9.609 -2.416 1.00 0.00 N ATOM 167 CA VAL A 14 -2.522 -9.259 -2.954 1.00 0.00 C ATOM 168 C VAL A 14 -1.717 -10.536 -3.201 1.00 0.00 C ATOM 169 O VAL A 14 -1.387 -11.258 -2.261 1.00 0.00 O ATOM 170 CB VAL A 14 -1.814 -8.279 -2.015 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.357 -8.073 -2.434 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.561 -6.945 -1.952 1.00 0.00 C ATOM 0 H VAL A 14 -3.801 -10.249 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.629 -8.751 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.816 -8.712 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.123 -7.372 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.169 -9.027 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.323 -7.672 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.038 -6.266 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.605 -6.505 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.573 -7.112 -1.584 1.00 0.00 H new ATOM 182 N THR A 15 -1.424 -10.777 -4.470 1.00 0.00 N ATOM 183 CA THR A 15 -0.664 -11.955 -4.853 1.00 0.00 C ATOM 184 C THR A 15 0.837 -11.667 -4.784 1.00 0.00 C ATOM 185 O THR A 15 1.288 -10.602 -5.202 1.00 0.00 O ATOM 186 CB THR A 15 -1.136 -12.392 -6.241 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.371 -13.060 -5.993 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.243 -13.475 -6.849 1.00 0.00 C ATOM 0 H THR A 15 -1.699 -10.176 -5.247 1.00 0.00 H new ATOM 0 HA THR A 15 -0.837 -12.779 -4.161 1.00 0.00 H new ATOM 0 HB THR A 15 -1.161 -11.528 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.748 -13.375 -6.841 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.622 -13.749 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.775 -13.096 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.244 -14.353 -6.203 1.00 0.00 H new ATOM 196 N LEU A 16 1.569 -12.636 -4.254 1.00 0.00 N ATOM 197 CA LEU A 16 3.010 -12.499 -4.126 1.00 0.00 C ATOM 198 C LEU A 16 3.655 -12.627 -5.507 1.00 0.00 C ATOM 199 O LEU A 16 3.041 -13.146 -6.438 1.00 0.00 O ATOM 200 CB LEU A 16 3.553 -13.496 -3.099 1.00 0.00 C ATOM 201 CG LEU A 16 3.175 -13.229 -1.641 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.350 -14.488 -0.790 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.962 -12.043 -1.079 1.00 0.00 C ATOM 0 H LEU A 16 1.192 -13.518 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 16 3.267 -11.511 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.202 -14.492 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.640 -13.510 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 16 2.119 -12.961 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.075 -14.271 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.710 -15.281 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.390 -14.811 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.674 -11.874 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.029 -12.258 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.744 -11.151 -1.666 1.00 0.00 H new ATOM 215 N PRO A 17 4.918 -12.131 -5.599 1.00 0.00 N ATOM 216 CA PRO A 17 5.654 -12.184 -6.851 1.00 0.00 C ATOM 217 C PRO A 17 6.152 -13.603 -7.134 1.00 0.00 C ATOM 218 O PRO A 17 6.821 -13.841 -8.139 1.00 0.00 O ATOM 219 CB PRO A 17 6.782 -11.180 -6.688 1.00 0.00 C ATOM 220 CG PRO A 17 6.916 -10.942 -5.192 1.00 0.00 C ATOM 221 CD PRO A 17 5.677 -11.509 -4.518 1.00 0.00 C ATOM 0 HA PRO A 17 5.036 -11.931 -7.713 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.712 -11.566 -7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.557 -10.251 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.815 -11.425 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.011 -9.877 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.942 -12.236 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.099 -10.725 -4.028 1.00 0.00 H new ATOM 229 N ASP A 18 5.808 -14.508 -6.230 1.00 0.00 N ATOM 230 CA ASP A 18 6.213 -15.897 -6.370 1.00 0.00 C ATOM 231 C ASP A 18 5.017 -16.727 -6.842 1.00 0.00 C ATOM 232 O ASP A 18 5.162 -17.907 -7.157 1.00 0.00 O ATOM 233 CB ASP A 18 6.688 -16.469 -5.033 1.00 0.00 C ATOM 234 CG ASP A 18 8.137 -16.142 -4.668 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.751 -15.362 -5.427 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.598 -16.679 -3.637 1.00 0.00 O ATOM 0 H ASP A 18 5.253 -14.307 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 18 7.029 -15.940 -7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.037 -16.095 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.571 -17.552 -5.056 1.00 0.00 H new ATOM 241 N GLY A 19 3.863 -16.077 -6.875 1.00 0.00 N ATOM 242 CA GLY A 19 2.643 -16.740 -7.302 1.00 0.00 C ATOM 243 C GLY A 19 1.789 -17.146 -6.100 1.00 0.00 C ATOM 244 O GLY A 19 0.945 -18.035 -6.205 1.00 0.00 O ATOM 0 H GLY A 19 3.747 -15.098 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.072 -16.076 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.892 -17.623 -7.890 1.00 0.00 H new ATOM 248 N LYS A 20 2.038 -16.476 -4.984 1.00 0.00 N ATOM 249 CA LYS A 20 1.302 -16.755 -3.763 1.00 0.00 C ATOM 250 C LYS A 20 0.194 -15.714 -3.590 1.00 0.00 C ATOM 251 O LYS A 20 0.175 -14.702 -4.288 1.00 0.00 O ATOM 252 CB LYS A 20 2.256 -16.841 -2.570 1.00 0.00 C ATOM 253 CG LYS A 20 2.298 -18.261 -2.002 1.00 0.00 C ATOM 254 CD LYS A 20 2.860 -18.266 -0.579 1.00 0.00 C ATOM 255 CE LYS A 20 3.106 -19.695 -0.092 1.00 0.00 C ATOM 256 NZ LYS A 20 2.584 -19.872 1.281 1.00 0.00 N ATOM 0 H LYS A 20 2.740 -15.740 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 20 0.817 -17.729 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.257 -16.539 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.938 -16.145 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.294 -18.686 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.913 -18.894 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.793 -17.703 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.164 -17.764 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.623 -20.403 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.174 -19.914 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.759 -20.848 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.064 -19.209 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.561 -19.684 1.291 1.00 0.00 H new ATOM 270 N GLN A 21 -0.702 -15.999 -2.657 1.00 0.00 N ATOM 271 CA GLN A 21 -1.810 -15.100 -2.384 1.00 0.00 C ATOM 272 C GLN A 21 -1.777 -14.646 -0.923 1.00 0.00 C ATOM 273 O GLN A 21 -1.368 -15.401 -0.043 1.00 0.00 O ATOM 274 CB GLN A 21 -3.148 -15.761 -2.722 1.00 0.00 C ATOM 275 CG GLN A 21 -3.125 -16.354 -4.132 1.00 0.00 C ATOM 276 CD GLN A 21 -4.538 -16.436 -4.715 1.00 0.00 C ATOM 277 OE1 GLN A 21 -5.332 -17.295 -4.368 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.805 -15.497 -5.618 1.00 0.00 N ATOM 0 H GLN A 21 -0.683 -16.840 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.705 -14.221 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.364 -16.546 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.950 -15.027 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.496 -15.741 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.680 -17.349 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.094 -14.808 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.721 -15.466 -6.066 1.00 0.00 H new ATOM 287 N VAL A 22 -2.213 -13.413 -0.711 1.00 0.00 N ATOM 288 CA VAL A 22 -2.239 -12.848 0.628 1.00 0.00 C ATOM 289 C VAL A 22 -3.495 -11.990 0.791 1.00 0.00 C ATOM 290 O VAL A 22 -4.070 -11.532 -0.195 1.00 0.00 O ATOM 291 CB VAL A 22 -0.947 -12.072 0.893 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.832 -11.687 2.370 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.276 -12.872 0.439 1.00 0.00 C ATOM 0 H VAL A 22 -2.551 -12.789 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.287 -13.640 1.376 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.982 -11.153 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.095 -11.137 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.679 -11.061 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.830 -12.589 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.181 -12.298 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.317 -13.815 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.203 -13.074 -0.630 1.00 0.00 H new ATOM 303 N ASP A 23 -3.884 -11.800 2.043 1.00 0.00 N ATOM 304 CA ASP A 23 -5.062 -11.006 2.348 1.00 0.00 C ATOM 305 C ASP A 23 -4.626 -9.632 2.862 1.00 0.00 C ATOM 306 O ASP A 23 -3.806 -9.538 3.774 1.00 0.00 O ATOM 307 CB ASP A 23 -5.909 -11.670 3.435 1.00 0.00 C ATOM 308 CG ASP A 23 -5.158 -12.003 4.726 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.101 -12.661 4.615 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.658 -11.592 5.796 1.00 0.00 O ATOM 0 H ASP A 23 -3.404 -12.182 2.858 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.653 -10.916 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.743 -11.012 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.334 -12.589 3.032 1.00 0.00 H new ATOM 315 N ALA A 24 -5.195 -8.601 2.255 1.00 0.00 N ATOM 316 CA ALA A 24 -4.876 -7.236 2.640 1.00 0.00 C ATOM 317 C ALA A 24 -6.154 -6.396 2.631 1.00 0.00 C ATOM 318 O ALA A 24 -7.227 -6.894 2.292 1.00 0.00 O ATOM 319 CB ALA A 24 -3.804 -6.679 1.702 1.00 0.00 C ATOM 0 H ALA A 24 -5.875 -8.683 1.499 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.471 -7.207 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.564 -5.655 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.907 -7.294 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.176 -6.690 0.677 1.00 0.00 H new ATOM 325 N GLU A 25 -5.998 -5.135 3.006 1.00 0.00 N ATOM 326 CA GLU A 25 -7.127 -4.220 3.045 1.00 0.00 C ATOM 327 C GLU A 25 -6.728 -2.860 2.469 1.00 0.00 C ATOM 328 O GLU A 25 -5.668 -2.329 2.798 1.00 0.00 O ATOM 329 CB GLU A 25 -7.666 -4.075 4.469 1.00 0.00 C ATOM 330 CG GLU A 25 -8.593 -5.239 4.825 1.00 0.00 C ATOM 331 CD GLU A 25 -8.450 -5.623 6.300 1.00 0.00 C ATOM 332 OE1 GLU A 25 -7.373 -6.155 6.645 1.00 0.00 O ATOM 333 OE2 GLU A 25 -9.420 -5.375 7.047 1.00 0.00 O ATOM 0 H GLU A 25 -5.107 -4.725 3.286 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.926 -4.633 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.836 -4.038 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.206 -3.133 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.626 -4.963 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.360 -6.099 4.197 1.00 0.00 H new ATOM 340 N SER A 26 -7.598 -2.335 1.618 1.00 0.00 N ATOM 341 CA SER A 26 -7.350 -1.047 0.993 1.00 0.00 C ATOM 342 C SER A 26 -7.212 0.036 2.065 1.00 0.00 C ATOM 343 O SER A 26 -8.056 0.147 2.953 1.00 0.00 O ATOM 344 CB SER A 26 -8.467 -0.686 0.013 1.00 0.00 C ATOM 345 OG SER A 26 -9.748 -0.691 0.639 1.00 0.00 O ATOM 0 H SER A 26 -8.476 -2.779 1.347 1.00 0.00 H new ATOM 0 HA SER A 26 -6.419 -1.113 0.430 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.274 0.300 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.465 -1.394 -0.816 1.00 0.00 H new ATOM 0 HG SER A 26 -10.376 -0.163 0.103 1.00 0.00 H new ATOM 351 N TRP A 27 -6.142 0.809 1.946 1.00 0.00 N ATOM 352 CA TRP A 27 -5.884 1.880 2.893 1.00 0.00 C ATOM 353 C TRP A 27 -5.773 1.261 4.288 1.00 0.00 C ATOM 354 O TRP A 27 -6.183 1.869 5.275 1.00 0.00 O ATOM 355 CB TRP A 27 -6.960 2.963 2.803 1.00 0.00 C ATOM 356 CG TRP A 27 -7.396 3.292 1.374 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.475 2.846 0.717 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.713 4.160 0.445 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.538 3.361 -0.562 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.432 4.186 -0.732 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.526 4.900 0.595 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.046 4.935 -1.850 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.154 5.643 -0.531 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.867 5.680 -1.723 1.00 0.00 C ATOM 0 H TRP A 27 -5.444 0.715 1.208 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.946 2.383 2.660 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.832 2.642 3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.587 3.871 3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.204 2.168 1.136 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.262 3.171 -1.255 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.948 4.895 1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.626 4.938 -2.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.249 6.229 -0.469 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.513 6.281 -2.548 1.00 0.00 H new ATOM 375 N LYS A 28 -5.216 0.060 4.324 1.00 0.00 N ATOM 376 CA LYS A 28 -5.045 -0.648 5.582 1.00 0.00 C ATOM 377 C LYS A 28 -3.668 -1.314 5.605 1.00 0.00 C ATOM 378 O LYS A 28 -2.802 -0.929 6.390 1.00 0.00 O ATOM 379 CB LYS A 28 -6.203 -1.622 5.809 1.00 0.00 C ATOM 380 CG LYS A 28 -7.284 -0.993 6.691 1.00 0.00 C ATOM 381 CD LYS A 28 -8.136 -2.070 7.366 1.00 0.00 C ATOM 382 CE LYS A 28 -8.937 -1.485 8.531 1.00 0.00 C ATOM 383 NZ LYS A 28 -8.177 -1.609 9.795 1.00 0.00 N ATOM 0 H LYS A 28 -4.877 -0.441 3.503 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.076 0.049 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.633 -1.911 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.830 -2.533 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.819 -0.364 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.920 -0.346 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.816 -2.510 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.494 -2.873 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.161 -0.436 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.891 -2.004 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.734 -1.207 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.985 -2.613 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.277 -1.094 9.711 1.00 0.00 H new ATOM 397 N THR A 29 -3.508 -2.300 4.736 1.00 0.00 N ATOM 398 CA THR A 29 -2.251 -3.023 4.647 1.00 0.00 C ATOM 399 C THR A 29 -1.384 -2.449 3.524 1.00 0.00 C ATOM 400 O THR A 29 -1.902 -1.887 2.560 1.00 0.00 O ATOM 401 CB THR A 29 -2.571 -4.509 4.469 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.254 -4.863 5.668 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.316 -5.384 4.483 1.00 0.00 C ATOM 0 H THR A 29 -4.228 -2.616 4.087 1.00 0.00 H new ATOM 0 HA THR A 29 -1.664 -2.909 5.559 1.00 0.00 H new ATOM 0 HB THR A 29 -3.105 -4.655 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.500 -5.811 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.599 -6.429 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.654 -5.084 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.799 -5.264 5.435 1.00 0.00 H new ATOM 411 N THR A 30 -0.079 -2.611 3.685 1.00 0.00 N ATOM 412 CA THR A 30 0.864 -2.116 2.697 1.00 0.00 C ATOM 413 C THR A 30 1.732 -3.260 2.168 1.00 0.00 C ATOM 414 O THR A 30 1.637 -4.389 2.648 1.00 0.00 O ATOM 415 CB THR A 30 1.673 -0.987 3.340 1.00 0.00 C ATOM 416 OG1 THR A 30 2.822 -1.642 3.870 1.00 0.00 O ATOM 417 CG2 THR A 30 0.980 -0.397 4.569 1.00 0.00 C ATOM 0 H THR A 30 0.348 -3.078 4.485 1.00 0.00 H new ATOM 0 HA THR A 30 0.348 -1.711 1.826 1.00 0.00 H new ATOM 0 HB THR A 30 1.843 -0.199 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.627 -1.139 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.596 0.400 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.010 0.008 4.280 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.840 -1.177 5.317 1.00 0.00 H new ATOM 425 N PRO A 31 2.579 -2.920 1.160 1.00 0.00 N ATOM 426 CA PRO A 31 3.463 -3.906 0.561 1.00 0.00 C ATOM 427 C PRO A 31 4.638 -4.224 1.487 1.00 0.00 C ATOM 428 O PRO A 31 5.168 -5.334 1.464 1.00 0.00 O ATOM 429 CB PRO A 31 3.897 -3.292 -0.760 1.00 0.00 C ATOM 430 CG PRO A 31 3.617 -1.803 -0.641 1.00 0.00 C ATOM 431 CD PRO A 31 2.718 -1.594 0.567 1.00 0.00 C ATOM 0 HA PRO A 31 2.974 -4.866 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.955 -3.476 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.345 -3.728 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.548 -1.247 -0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.134 -1.432 -1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.159 -0.889 1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.750 -1.188 0.274 1.00 0.00 H new ATOM 439 N TYR A 32 5.009 -3.231 2.282 1.00 0.00 N ATOM 440 CA TYR A 32 6.112 -3.392 3.215 1.00 0.00 C ATOM 441 C TYR A 32 5.764 -4.408 4.304 1.00 0.00 C ATOM 442 O TYR A 32 6.639 -5.118 4.798 1.00 0.00 O ATOM 443 CB TYR A 32 6.321 -2.021 3.861 1.00 0.00 C ATOM 444 CG TYR A 32 7.691 -1.845 4.518 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.840 -2.060 3.785 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.778 -1.471 5.844 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.130 -1.894 4.403 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.068 -1.306 6.462 1.00 0.00 C ATOM 449 CZ TYR A 32 10.180 -1.525 5.712 1.00 0.00 C ATOM 450 OH TYR A 32 11.398 -1.369 6.296 1.00 0.00 O ATOM 0 H TYR A 32 4.566 -2.312 2.299 1.00 0.00 H new ATOM 0 HA TYR A 32 7.002 -3.751 2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.192 -1.250 3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.547 -1.863 4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.772 -2.353 2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.879 -1.302 6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.037 -2.059 3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.150 -1.015 7.499 1.00 0.00 H new ATOM 0 HH TYR A 32 11.280 -1.103 7.232 1.00 0.00 H new ATOM 460 N GLN A 33 4.485 -4.446 4.648 1.00 0.00 N ATOM 461 CA GLN A 33 4.011 -5.363 5.670 1.00 0.00 C ATOM 462 C GLN A 33 3.902 -6.780 5.102 1.00 0.00 C ATOM 463 O GLN A 33 4.495 -7.715 5.638 1.00 0.00 O ATOM 464 CB GLN A 33 2.673 -4.898 6.246 1.00 0.00 C ATOM 465 CG GLN A 33 2.883 -4.019 7.481 1.00 0.00 C ATOM 466 CD GLN A 33 1.543 -3.566 8.065 1.00 0.00 C ATOM 467 OE1 GLN A 33 0.734 -4.358 8.518 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.356 -2.249 8.030 1.00 0.00 N ATOM 0 H GLN A 33 3.762 -3.856 4.237 1.00 0.00 H new ATOM 0 HA GLN A 33 4.735 -5.374 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.121 -4.341 5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.066 -5.764 6.511 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.444 -4.572 8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.481 -3.148 7.214 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.075 -1.642 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.494 -1.846 8.397 1.00 0.00 H new ATOM 477 N ILE A 34 3.139 -6.893 4.025 1.00 0.00 N ATOM 478 CA ILE A 34 2.943 -8.180 3.379 1.00 0.00 C ATOM 479 C ILE A 34 4.267 -8.947 3.368 1.00 0.00 C ATOM 480 O ILE A 34 4.361 -10.038 3.928 1.00 0.00 O ATOM 481 CB ILE A 34 2.330 -7.994 1.990 1.00 0.00 C ATOM 482 CG1 ILE A 34 0.936 -7.371 2.085 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.316 -9.314 1.215 1.00 0.00 C ATOM 484 CD1 ILE A 34 -0.041 -8.063 1.132 1.00 0.00 C ATOM 0 H ILE A 34 2.649 -6.115 3.583 1.00 0.00 H new ATOM 0 HA ILE A 34 2.229 -8.783 3.940 1.00 0.00 H new ATOM 0 HB ILE A 34 2.956 -7.299 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.568 -7.449 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.992 -6.309 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.875 -9.154 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.337 -9.679 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.726 -10.050 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.024 -7.601 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.317 -7.962 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.113 -9.120 1.389 1.00 0.00 H new ATOM 663 N ILE A 48 11.633 -1.388 -3.944 1.00 0.00 N ATOM 664 CA ILE A 48 10.330 -0.787 -4.173 1.00 0.00 C ATOM 665 C ILE A 48 9.331 -1.879 -4.562 1.00 0.00 C ATOM 666 O ILE A 48 9.637 -2.741 -5.385 1.00 0.00 O ATOM 667 CB ILE A 48 10.434 0.344 -5.199 1.00 0.00 C ATOM 668 CG1 ILE A 48 10.919 1.637 -4.541 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.108 0.538 -5.937 1.00 0.00 C ATOM 670 CD1 ILE A 48 9.938 2.105 -3.463 1.00 0.00 C ATOM 0 HA ILE A 48 9.958 -0.324 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 48 11.178 0.063 -5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.902 1.477 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.032 2.414 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.209 1.347 -6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.843 -0.382 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.326 0.788 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.306 3.026 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.962 2.287 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.846 1.336 -2.696 1.00 0.00 H new ATOM 682 N ALA A 49 8.158 -1.808 -3.951 1.00 0.00 N ATOM 683 CA ALA A 49 7.112 -2.780 -4.223 1.00 0.00 C ATOM 684 C ALA A 49 6.229 -2.267 -5.362 1.00 0.00 C ATOM 685 O ALA A 49 5.854 -1.096 -5.382 1.00 0.00 O ATOM 686 CB ALA A 49 6.317 -3.046 -2.943 1.00 0.00 C ATOM 0 H ALA A 49 7.908 -1.092 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 49 7.543 -3.729 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.533 -3.775 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.984 -3.436 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.867 -2.116 -2.594 1.00 0.00 H new ATOM 692 N LYS A 50 5.922 -3.170 -6.282 1.00 0.00 N ATOM 693 CA LYS A 50 5.090 -2.824 -7.421 1.00 0.00 C ATOM 694 C LYS A 50 3.654 -3.281 -7.157 1.00 0.00 C ATOM 695 O LYS A 50 3.418 -4.448 -6.846 1.00 0.00 O ATOM 696 CB LYS A 50 5.687 -3.388 -8.712 1.00 0.00 C ATOM 697 CG LYS A 50 6.722 -2.428 -9.303 1.00 0.00 C ATOM 698 CD LYS A 50 7.200 -2.912 -10.673 1.00 0.00 C ATOM 699 CE LYS A 50 7.823 -1.766 -11.472 1.00 0.00 C ATOM 700 NZ LYS A 50 9.261 -2.025 -11.714 1.00 0.00 N ATOM 0 H LYS A 50 6.235 -4.141 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 50 5.061 -1.743 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.154 -4.352 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.893 -3.564 -9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.288 -1.432 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.572 -2.343 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.931 -3.711 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.361 -3.333 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.303 -1.653 -12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.702 -0.829 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.822 -1.222 -11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.547 -2.890 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.425 -2.145 -12.734 1.00 0.00 H new ATOM 714 N VAL A 51 2.732 -2.339 -7.290 1.00 0.00 N ATOM 715 CA VAL A 51 1.326 -2.631 -7.069 1.00 0.00 C ATOM 716 C VAL A 51 0.574 -2.530 -8.397 1.00 0.00 C ATOM 717 O VAL A 51 0.246 -1.433 -8.848 1.00 0.00 O ATOM 718 CB VAL A 51 0.762 -1.704 -5.990 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.762 -1.815 -5.914 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.401 -1.992 -4.631 1.00 0.00 C ATOM 0 H VAL A 51 2.931 -1.373 -7.548 1.00 0.00 H new ATOM 0 HA VAL A 51 1.201 -3.649 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 51 1.010 -0.679 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.137 -1.146 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.195 -1.537 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.041 -2.841 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.982 -1.319 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.199 -3.024 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.478 -1.838 -4.695 1.00 0.00 H new ATOM 730 N ASN A 52 0.322 -3.689 -8.987 1.00 0.00 N ATOM 731 CA ASN A 52 -0.386 -3.745 -10.255 1.00 0.00 C ATOM 732 C ASN A 52 0.588 -3.430 -11.392 1.00 0.00 C ATOM 733 O ASN A 52 0.198 -2.853 -12.406 1.00 0.00 O ATOM 734 CB ASN A 52 -1.516 -2.715 -10.301 1.00 0.00 C ATOM 735 CG ASN A 52 -2.752 -3.287 -10.999 1.00 0.00 C ATOM 736 OD1 ASN A 52 -2.748 -3.580 -12.183 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.806 -3.429 -10.201 1.00 0.00 N ATOM 0 H ASN A 52 0.595 -4.597 -8.611 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.806 -4.745 -10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.775 -2.409 -9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.178 -1.822 -10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.680 -3.803 -10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.741 -3.164 -9.218 1.00 0.00 H new ATOM 744 N ASN A 53 1.836 -3.823 -11.185 1.00 0.00 N ATOM 745 CA ASN A 53 2.869 -3.589 -12.181 1.00 0.00 C ATOM 746 C ASN A 53 3.241 -2.105 -12.184 1.00 0.00 C ATOM 747 O ASN A 53 3.759 -1.594 -13.176 1.00 0.00 O ATOM 748 CB ASN A 53 2.377 -3.957 -13.582 1.00 0.00 C ATOM 749 CG ASN A 53 3.289 -5.002 -14.227 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.427 -4.737 -14.579 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.728 -6.200 -14.363 1.00 0.00 N ATOM 0 H ASN A 53 2.156 -4.302 -10.343 1.00 0.00 H new ATOM 0 HA ASN A 53 3.729 -4.209 -11.927 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.359 -4.343 -13.524 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.344 -3.064 -14.206 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.255 -6.965 -14.784 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.771 -6.354 -14.047 1.00 0.00 H new ATOM 758 N VAL A 54 2.964 -1.456 -11.063 1.00 0.00 N ATOM 759 CA VAL A 54 3.263 -0.041 -10.925 1.00 0.00 C ATOM 760 C VAL A 54 4.004 0.193 -9.607 1.00 0.00 C ATOM 761 O VAL A 54 3.694 -0.436 -8.596 1.00 0.00 O ATOM 762 CB VAL A 54 1.977 0.780 -11.041 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.908 0.017 -11.825 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.459 1.186 -9.660 1.00 0.00 C ATOM 0 H VAL A 54 2.536 -1.884 -10.242 1.00 0.00 H new ATOM 0 HA VAL A 54 3.918 0.291 -11.730 1.00 0.00 H new ATOM 0 HB VAL A 54 2.210 1.691 -11.592 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.004 0.623 -11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.277 -0.198 -12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.680 -0.918 -11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.544 1.768 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.251 0.292 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.212 1.787 -9.151 1.00 0.00 H new ATOM 774 N VAL A 55 4.970 1.098 -9.660 1.00 0.00 N ATOM 775 CA VAL A 55 5.758 1.422 -8.483 1.00 0.00 C ATOM 776 C VAL A 55 4.821 1.816 -7.340 1.00 0.00 C ATOM 777 O VAL A 55 3.898 2.606 -7.533 1.00 0.00 O ATOM 778 CB VAL A 55 6.779 2.510 -8.820 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.358 3.132 -7.548 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.891 1.960 -9.716 1.00 0.00 C ATOM 0 H VAL A 55 5.225 1.617 -10.500 1.00 0.00 H new ATOM 0 HA VAL A 55 6.326 0.552 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 55 6.262 3.295 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.081 3.902 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.554 3.577 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.852 2.360 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.603 2.754 -9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.404 1.147 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.459 1.587 -10.645 1.00 0.00 H new ATOM 790 N TRP A 56 5.090 1.246 -6.174 1.00 0.00 N ATOM 791 CA TRP A 56 4.282 1.528 -5.000 1.00 0.00 C ATOM 792 C TRP A 56 5.220 1.642 -3.797 1.00 0.00 C ATOM 793 O TRP A 56 5.994 0.727 -3.519 1.00 0.00 O ATOM 794 CB TRP A 56 3.197 0.465 -4.813 1.00 0.00 C ATOM 795 CG TRP A 56 1.900 1.000 -4.203 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.574 1.090 -2.906 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.761 1.518 -4.922 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.313 1.626 -2.738 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.196 1.895 -4.003 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.548 1.664 -6.304 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.433 2.442 -4.365 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.693 2.212 -6.650 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.668 2.597 -5.736 1.00 0.00 C ATOM 0 H TRP A 56 5.856 0.591 -6.018 1.00 0.00 H new ATOM 0 HA TRP A 56 3.749 2.471 -5.116 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.973 0.015 -5.780 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.586 -0.328 -4.175 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.217 0.782 -2.095 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.158 1.794 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.284 1.376 -7.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.166 2.729 -3.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.908 2.345 -7.700 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.602 3.014 -6.083 1.00 0.00 H new ATOM 814 N ASP A 57 5.120 2.774 -3.115 1.00 0.00 N ATOM 815 CA ASP A 57 5.951 3.020 -1.948 1.00 0.00 C ATOM 816 C ASP A 57 5.639 1.974 -0.876 1.00 0.00 C ATOM 817 O ASP A 57 4.489 1.572 -0.712 1.00 0.00 O ATOM 818 CB ASP A 57 5.671 4.403 -1.355 1.00 0.00 C ATOM 819 CG ASP A 57 6.289 5.573 -2.123 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.944 5.294 -3.151 1.00 0.00 O ATOM 821 OD2 ASP A 57 6.093 6.719 -1.665 1.00 0.00 O ATOM 0 H ASP A 57 4.477 3.530 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 57 6.994 2.965 -2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.592 4.549 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.042 4.424 -0.330 1.00 0.00 H new ATOM 826 N LEU A 58 6.685 1.564 -0.174 1.00 0.00 N ATOM 827 CA LEU A 58 6.538 0.572 0.878 1.00 0.00 C ATOM 828 C LEU A 58 5.727 1.172 2.029 1.00 0.00 C ATOM 829 O LEU A 58 4.920 0.483 2.650 1.00 0.00 O ATOM 830 CB LEU A 58 7.905 0.035 1.303 1.00 0.00 C ATOM 831 CG LEU A 58 8.851 -0.367 0.169 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.313 -0.209 0.592 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.546 -1.783 -0.323 1.00 0.00 C ATOM 0 H LEU A 58 7.638 1.901 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 58 5.982 -0.292 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.399 0.794 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.749 -0.833 1.944 1.00 0.00 H new ATOM 0 HG LEU A 58 8.685 0.308 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.964 -0.501 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.505 0.831 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.513 -0.844 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.232 -2.044 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.667 -2.488 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.521 -1.827 -0.691 1.00 0.00 H new ATOM 845 N ASP A 59 5.971 2.451 2.278 1.00 0.00 N ATOM 846 CA ASP A 59 5.275 3.151 3.344 1.00 0.00 C ATOM 847 C ASP A 59 3.951 3.699 2.807 1.00 0.00 C ATOM 848 O ASP A 59 3.634 4.871 3.005 1.00 0.00 O ATOM 849 CB ASP A 59 6.101 4.332 3.859 1.00 0.00 C ATOM 850 CG ASP A 59 5.908 4.658 5.341 1.00 0.00 C ATOM 851 OD1 ASP A 59 4.835 5.212 5.665 1.00 0.00 O ATOM 852 OD2 ASP A 59 6.837 4.346 6.116 1.00 0.00 O ATOM 0 H ASP A 59 6.641 3.020 1.760 1.00 0.00 H new ATOM 0 HA ASP A 59 5.108 2.446 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.156 4.122 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.849 5.215 3.272 1.00 0.00 H new ATOM 857 N ARG A 60 3.213 2.825 2.139 1.00 0.00 N ATOM 858 CA ARG A 60 1.930 3.207 1.572 1.00 0.00 C ATOM 859 C ARG A 60 1.038 1.975 1.401 1.00 0.00 C ATOM 860 O ARG A 60 1.457 0.977 0.819 1.00 0.00 O ATOM 861 CB ARG A 60 2.109 3.891 0.215 1.00 0.00 C ATOM 862 CG ARG A 60 0.770 4.399 -0.323 1.00 0.00 C ATOM 863 CD ARG A 60 0.980 5.371 -1.486 1.00 0.00 C ATOM 864 NE ARG A 60 -0.250 5.454 -2.305 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.419 6.310 -3.322 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.562 7.160 -3.652 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.569 6.314 -4.009 1.00 0.00 N ATOM 0 H ARG A 60 3.478 1.854 1.977 1.00 0.00 H new ATOM 0 HA ARG A 60 1.459 3.909 2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.805 4.724 0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.548 3.190 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.163 3.556 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.218 4.895 0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.239 6.358 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.815 5.039 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.017 4.820 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.438 7.156 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.433 7.812 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.315 5.666 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.698 6.965 -4.783 1.00 0.00 H new ATOM 881 N PRO A 61 -0.208 2.090 1.934 1.00 0.00 N ATOM 882 CA PRO A 61 -1.163 0.999 1.846 1.00 0.00 C ATOM 883 C PRO A 61 -1.740 0.887 0.433 1.00 0.00 C ATOM 884 O PRO A 61 -1.902 1.893 -0.256 1.00 0.00 O ATOM 885 CB PRO A 61 -2.218 1.313 2.895 1.00 0.00 C ATOM 886 CG PRO A 61 -2.067 2.794 3.207 1.00 0.00 C ATOM 887 CD PRO A 61 -0.739 3.258 2.631 1.00 0.00 C ATOM 0 HA PRO A 61 -0.708 0.027 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.218 1.092 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.071 0.708 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.890 3.361 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.096 2.962 4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.875 4.098 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.062 3.592 3.417 1.00 0.00 H new ATOM 895 N LEU A 62 -2.033 -0.345 0.044 1.00 0.00 N ATOM 896 CA LEU A 62 -2.588 -0.602 -1.274 1.00 0.00 C ATOM 897 C LEU A 62 -3.902 0.167 -1.427 1.00 0.00 C ATOM 898 O LEU A 62 -4.316 0.884 -0.518 1.00 0.00 O ATOM 899 CB LEU A 62 -2.723 -2.106 -1.515 1.00 0.00 C ATOM 900 CG LEU A 62 -1.497 -2.954 -1.171 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.204 -2.190 -1.462 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.558 -3.446 0.277 1.00 0.00 C ATOM 0 H LEU A 62 -1.896 -1.177 0.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.913 -0.239 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.568 -2.473 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.967 -2.265 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.502 -3.836 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.653 -2.815 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.164 -1.931 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.178 -1.279 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.675 -4.046 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.590 -2.590 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.453 -4.053 0.418 1.00 0.00 H new ATOM 914 N GLU A 63 -4.522 -0.010 -2.585 1.00 0.00 N ATOM 915 CA GLU A 63 -5.781 0.658 -2.869 1.00 0.00 C ATOM 916 C GLU A 63 -6.888 -0.373 -3.098 1.00 0.00 C ATOM 917 O GLU A 63 -8.030 -0.162 -2.693 1.00 0.00 O ATOM 918 CB GLU A 63 -5.645 1.594 -4.072 1.00 0.00 C ATOM 919 CG GLU A 63 -5.238 3.000 -3.630 1.00 0.00 C ATOM 920 CD GLU A 63 -5.784 4.058 -4.592 1.00 0.00 C ATOM 921 OE1 GLU A 63 -7.025 4.109 -4.733 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.948 4.790 -5.164 1.00 0.00 O ATOM 0 H GLU A 63 -4.176 -0.606 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.051 1.266 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.902 1.197 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.591 1.638 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.612 3.191 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.151 3.071 -3.585 1.00 0.00 H new ATOM 929 N GLU A 64 -6.511 -1.465 -3.746 1.00 0.00 N ATOM 930 CA GLU A 64 -7.459 -2.529 -4.034 1.00 0.00 C ATOM 931 C GLU A 64 -6.726 -3.763 -4.563 1.00 0.00 C ATOM 932 O GLU A 64 -5.506 -3.746 -4.720 1.00 0.00 O ATOM 933 CB GLU A 64 -8.527 -2.059 -5.023 1.00 0.00 C ATOM 934 CG GLU A 64 -7.928 -1.840 -6.414 1.00 0.00 C ATOM 935 CD GLU A 64 -9.016 -1.858 -7.489 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.801 -2.831 -7.485 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.038 -0.899 -8.290 1.00 0.00 O ATOM 0 H GLU A 64 -5.563 -1.637 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.964 -2.800 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.326 -2.798 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.975 -1.132 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.401 -0.886 -6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.192 -2.616 -6.623 1.00 0.00 H new ATOM 944 N ASP A 65 -7.501 -4.806 -4.823 1.00 0.00 N ATOM 945 CA ASP A 65 -6.941 -6.047 -5.331 1.00 0.00 C ATOM 946 C ASP A 65 -5.888 -5.728 -6.394 1.00 0.00 C ATOM 947 O ASP A 65 -6.212 -5.194 -7.453 1.00 0.00 O ATOM 948 CB ASP A 65 -8.021 -6.913 -5.980 1.00 0.00 C ATOM 949 CG ASP A 65 -9.369 -6.919 -5.255 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.341 -6.986 -4.007 1.00 0.00 O ATOM 951 OD2 ASP A 65 -10.395 -6.856 -5.965 1.00 0.00 O ATOM 0 H ASP A 65 -8.512 -4.817 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.502 -6.587 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.177 -6.567 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.655 -7.938 -6.042 1.00 0.00 H new ATOM 956 N CYS A 66 -4.648 -6.069 -6.074 1.00 0.00 N ATOM 957 CA CYS A 66 -3.545 -5.826 -6.988 1.00 0.00 C ATOM 958 C CYS A 66 -2.463 -6.875 -6.724 1.00 0.00 C ATOM 959 O CYS A 66 -2.615 -7.722 -5.845 1.00 0.00 O ATOM 960 CB CYS A 66 -3.004 -4.401 -6.856 1.00 0.00 C ATOM 961 SG CYS A 66 -2.743 -3.992 -5.091 1.00 0.00 S ATOM 0 H CYS A 66 -4.383 -6.512 -5.194 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.894 -5.917 -8.016 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.065 -4.307 -7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.704 -3.695 -7.302 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.891 -3.934 -4.485 1.00 0.00 H new ATOM 967 N THR A 67 -1.393 -6.783 -7.501 1.00 0.00 N ATOM 968 CA THR A 67 -0.286 -7.713 -7.363 1.00 0.00 C ATOM 969 C THR A 67 0.896 -7.035 -6.666 1.00 0.00 C ATOM 970 O THR A 67 1.133 -5.843 -6.857 1.00 0.00 O ATOM 971 CB THR A 67 0.056 -8.252 -8.753 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.069 -7.117 -9.606 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.997 -9.230 -9.277 1.00 0.00 C ATOM 0 H THR A 67 -1.270 -6.078 -8.228 1.00 0.00 H new ATOM 0 HA THR A 67 -0.556 -8.558 -6.729 1.00 0.00 H new ATOM 0 HB THR A 67 1.027 -8.747 -8.722 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.137 -7.377 -10.528 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.706 -9.582 -10.267 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.075 -10.079 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.962 -8.726 -9.341 1.00 0.00 H new ATOM 981 N LEU A 68 1.606 -7.824 -5.873 1.00 0.00 N ATOM 982 CA LEU A 68 2.758 -7.315 -5.148 1.00 0.00 C ATOM 983 C LEU A 68 4.036 -7.893 -5.758 1.00 0.00 C ATOM 984 O LEU A 68 4.132 -9.099 -5.979 1.00 0.00 O ATOM 985 CB LEU A 68 2.611 -7.591 -3.650 1.00 0.00 C ATOM 986 CG LEU A 68 3.811 -7.212 -2.778 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.253 -5.773 -3.049 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.509 -7.450 -1.297 1.00 0.00 C ATOM 0 H LEU A 68 1.406 -8.812 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 68 2.822 -6.231 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.737 -7.052 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.409 -8.654 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 68 4.646 -7.860 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.107 -5.529 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.536 -5.671 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.431 -5.092 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.377 -7.173 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.654 -6.843 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.280 -8.504 -1.137 1.00 0.00 H new ATOM 1000 N GLU A 69 4.986 -7.005 -6.011 1.00 0.00 N ATOM 1001 CA GLU A 69 6.255 -7.412 -6.591 1.00 0.00 C ATOM 1002 C GLU A 69 7.401 -6.599 -5.986 1.00 0.00 C ATOM 1003 O GLU A 69 7.541 -5.410 -6.270 1.00 0.00 O ATOM 1004 CB GLU A 69 6.231 -7.275 -8.115 1.00 0.00 C ATOM 1005 CG GLU A 69 7.640 -7.395 -8.699 1.00 0.00 C ATOM 1006 CD GLU A 69 7.589 -7.800 -10.174 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.302 -6.905 -10.998 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.840 -8.994 -10.443 1.00 0.00 O ATOM 0 H GLU A 69 4.903 -6.006 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 69 6.418 -8.464 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.589 -8.045 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.800 -6.312 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.162 -6.444 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.210 -8.133 -8.135 1.00 0.00 H new ATOM 1015 N LEU A 70 8.191 -7.271 -5.162 1.00 0.00 N ATOM 1016 CA LEU A 70 9.320 -6.625 -4.514 1.00 0.00 C ATOM 1017 C LEU A 70 10.489 -6.544 -5.498 1.00 0.00 C ATOM 1018 O LEU A 70 10.849 -7.541 -6.122 1.00 0.00 O ATOM 1019 CB LEU A 70 9.666 -7.338 -3.205 1.00 0.00 C ATOM 1020 CG LEU A 70 8.530 -7.458 -2.186 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.561 -6.281 -2.305 1.00 0.00 C ATOM 1022 CD2 LEU A 70 7.816 -8.805 -2.318 1.00 0.00 C ATOM 0 H LEU A 70 8.072 -8.257 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 70 9.066 -5.602 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.021 -8.341 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.495 -6.810 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 70 8.962 -7.419 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.763 -6.391 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.096 -5.349 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.131 -6.263 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.013 -8.865 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.398 -8.898 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.527 -9.612 -2.145 1.00 0.00 H new ATOM 1034 N LEU A 71 11.049 -5.348 -5.605 1.00 0.00 N ATOM 1035 CA LEU A 71 12.170 -5.124 -6.502 1.00 0.00 C ATOM 1036 C LEU A 71 13.474 -5.459 -5.775 1.00 0.00 C ATOM 1037 O LEU A 71 13.545 -5.375 -4.550 1.00 0.00 O ATOM 1038 CB LEU A 71 12.128 -3.703 -7.067 1.00 0.00 C ATOM 1039 CG LEU A 71 11.306 -3.513 -8.344 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.184 -4.549 -8.433 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.775 -2.082 -8.446 1.00 0.00 C ATOM 0 H LEU A 71 10.747 -4.524 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 71 12.106 -5.787 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.729 -3.040 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.151 -3.382 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 71 11.962 -3.675 -9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.615 -4.392 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.613 -5.551 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.523 -4.444 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.195 -1.974 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.140 -1.867 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.612 -1.384 -8.462 1.00 0.00 H new