USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 569 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 9 CYS SG : rot 110:sc= -6.81! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -5.19! C(o=-12!,f=-14!) USER MOD Set 2.1: A 33 THR OG1 : rot 20:sc= 1.15 USER MOD Set 2.2: A 59 TYR OH : rot -143:sc= 0.88 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 162:sc= -0.0489 (180deg=-0.399) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0.267 (180deg=0.205) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc=0.000585 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 173:sc= -2.83 (180deg=-3.34) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 0.304 6.824 5.541 1.00 0.00 N ATOM 81 CA CYS A 9 -0.710 6.255 4.660 1.00 0.00 C ATOM 82 C CYS A 9 -0.129 5.119 3.824 1.00 0.00 C ATOM 83 O CYS A 9 0.800 5.323 3.042 1.00 0.00 O ATOM 84 CB CYS A 9 -1.284 7.337 3.744 1.00 0.00 C ATOM 85 SG CYS A 9 -2.667 8.255 4.462 1.00 0.00 S ATOM 0 HA CYS A 9 -1.510 5.852 5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.491 8.039 3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.613 6.874 2.814 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.290 9.470 4.728 1.00 0.00 H new ATOM 91 N ARG A 10 -0.681 3.923 3.996 1.00 0.00 N ATOM 92 CA ARG A 10 -0.216 2.754 3.259 1.00 0.00 C ATOM 93 C ARG A 10 -1.389 1.996 2.644 1.00 0.00 C ATOM 94 O ARG A 10 -2.422 1.804 3.285 1.00 0.00 O ATOM 95 CB ARG A 10 0.577 1.826 4.182 1.00 0.00 C ATOM 96 CG ARG A 10 2.040 2.213 4.325 1.00 0.00 C ATOM 97 CD ARG A 10 2.765 1.301 5.301 1.00 0.00 C ATOM 98 NE ARG A 10 3.862 1.986 5.980 1.00 0.00 N ATOM 99 CZ ARG A 10 3.697 2.756 7.049 1.00 0.00 C ATOM 100 NH1 ARG A 10 2.487 2.938 7.560 1.00 0.00 N ATOM 101 NH2 ARG A 10 4.745 3.346 7.611 1.00 0.00 N ATOM 0 H ARG A 10 -1.451 3.738 4.639 1.00 0.00 H new ATOM 0 HA ARG A 10 0.434 3.098 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.112 1.825 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.515 0.807 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.527 2.165 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.113 3.245 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.058 0.927 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.154 0.435 4.766 1.00 0.00 H new ATOM 0 HE ARG A 10 4.806 1.866 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.679 2.486 7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.364 3.530 8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.678 3.208 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.618 3.937 8.432 1.00 0.00 H new ATOM 115 N LEU A 11 -1.222 1.570 1.397 1.00 0.00 N ATOM 116 CA LEU A 11 -2.266 0.833 0.694 1.00 0.00 C ATOM 117 C LEU A 11 -2.066 -0.671 0.842 1.00 0.00 C ATOM 118 O LEU A 11 -0.938 -1.165 0.803 1.00 0.00 O ATOM 119 CB LEU A 11 -2.278 1.215 -0.787 1.00 0.00 C ATOM 120 CG LEU A 11 -2.887 2.576 -1.125 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.023 2.741 -2.631 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.238 2.739 -0.445 1.00 0.00 C ATOM 0 H LEU A 11 -0.373 1.722 0.852 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.225 1.098 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.252 1.197 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.826 0.448 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.219 3.354 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.458 3.716 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.039 2.669 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.669 1.957 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.657 3.713 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.914 1.955 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.113 2.666 0.635 1.00 0.00 H new ATOM 134 N PHE A 12 -3.167 -1.396 1.010 1.00 0.00 N ATOM 135 CA PHE A 12 -3.112 -2.846 1.162 1.00 0.00 C ATOM 136 C PHE A 12 -3.107 -3.536 -0.199 1.00 0.00 C ATOM 137 O PHE A 12 -4.147 -3.660 -0.847 1.00 0.00 O ATOM 138 CB PHE A 12 -4.300 -3.338 1.992 1.00 0.00 C ATOM 139 CG PHE A 12 -4.294 -4.821 2.226 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.867 -5.684 1.306 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.714 -5.353 3.367 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.863 -7.049 1.520 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.707 -6.718 3.586 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.281 -7.567 2.661 1.00 0.00 C ATOM 0 H PHE A 12 -4.108 -1.004 1.044 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.187 -3.097 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.297 -2.826 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.225 -3.062 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.322 -5.285 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.262 -4.694 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.315 -7.711 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.253 -7.120 4.480 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.275 -8.634 2.829 1.00 0.00 H new ATOM 154 N ILE A 13 -1.930 -3.981 -0.625 1.00 0.00 N ATOM 155 CA ILE A 13 -1.790 -4.659 -1.908 1.00 0.00 C ATOM 156 C ILE A 13 -1.681 -6.169 -1.724 1.00 0.00 C ATOM 157 O ILE A 13 -0.667 -6.675 -1.245 1.00 0.00 O ATOM 158 CB ILE A 13 -0.554 -4.157 -2.678 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.436 -2.636 -2.561 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.632 -4.577 -4.138 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.656 -1.895 -3.064 1.00 0.00 C ATOM 0 H ILE A 13 -1.060 -3.884 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.686 -4.430 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 13 0.336 -4.607 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.265 -2.372 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.438 -2.303 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.249 -4.215 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.672 -5.664 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.528 -4.153 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.502 -0.822 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.816 -2.129 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.530 -2.199 -2.488 1.00 0.00 H new ATOM 173 N GLY A 14 -2.734 -6.884 -2.108 1.00 0.00 N ATOM 174 CA GLY A 14 -2.736 -8.329 -1.979 1.00 0.00 C ATOM 175 C GLY A 14 -2.740 -9.032 -3.322 1.00 0.00 C ATOM 176 O GLY A 14 -3.179 -8.468 -4.324 1.00 0.00 O ATOM 0 H GLY A 14 -3.586 -6.488 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.859 -8.641 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.611 -8.638 -1.408 1.00 0.00 H new ATOM 180 N GLY A 15 -2.249 -10.267 -3.344 1.00 0.00 N ATOM 181 CA GLY A 15 -2.205 -11.026 -4.580 1.00 0.00 C ATOM 182 C GLY A 15 -0.926 -10.792 -5.359 1.00 0.00 C ATOM 183 O GLY A 15 -0.961 -10.568 -6.569 1.00 0.00 O ATOM 0 H GLY A 15 -1.881 -10.756 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.300 -12.088 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.059 -10.754 -5.200 1.00 0.00 H new ATOM 187 N ILE A 16 0.206 -10.843 -4.665 1.00 0.00 N ATOM 188 CA ILE A 16 1.501 -10.634 -5.299 1.00 0.00 C ATOM 189 C ILE A 16 2.385 -11.870 -5.165 1.00 0.00 C ATOM 190 O ILE A 16 2.265 -12.649 -4.219 1.00 0.00 O ATOM 191 CB ILE A 16 2.236 -9.423 -4.694 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.483 -9.643 -3.200 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.435 -8.150 -4.923 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.422 -8.628 -2.587 1.00 0.00 C ATOM 0 H ILE A 16 0.252 -11.027 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 16 1.308 -10.441 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 16 3.201 -9.316 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.529 -9.608 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.893 -10.642 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.967 -7.303 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.306 -7.989 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.458 -8.245 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.551 -8.845 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.389 -8.678 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.004 -7.628 -2.704 1.00 0.00 H new ATOM 206 N PRO A 17 3.296 -12.054 -6.132 1.00 0.00 N ATOM 207 CA PRO A 17 4.219 -13.192 -6.143 1.00 0.00 C ATOM 208 C PRO A 17 5.267 -13.099 -5.039 1.00 0.00 C ATOM 209 O PRO A 17 5.675 -12.006 -4.646 1.00 0.00 O ATOM 210 CB PRO A 17 4.883 -13.097 -7.519 1.00 0.00 C ATOM 211 CG PRO A 17 4.781 -11.657 -7.890 1.00 0.00 C ATOM 212 CD PRO A 17 3.494 -11.165 -7.289 1.00 0.00 C ATOM 0 HA PRO A 17 3.704 -14.136 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.922 -13.423 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.377 -13.730 -8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.632 -11.094 -7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.779 -11.532 -8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.566 -10.121 -6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.667 -11.236 -7.996 1.00 0.00 H new ATOM 220 N LYS A 18 5.700 -14.253 -4.542 1.00 0.00 N ATOM 221 CA LYS A 18 6.701 -14.302 -3.483 1.00 0.00 C ATOM 222 C LYS A 18 8.110 -14.228 -4.064 1.00 0.00 C ATOM 223 O LYS A 18 9.074 -13.964 -3.346 1.00 0.00 O ATOM 224 CB LYS A 18 6.544 -15.585 -2.663 1.00 0.00 C ATOM 225 CG LYS A 18 5.097 -15.978 -2.422 1.00 0.00 C ATOM 226 CD LYS A 18 4.942 -17.485 -2.293 1.00 0.00 C ATOM 227 CE LYS A 18 3.489 -17.880 -2.082 1.00 0.00 C ATOM 228 NZ LYS A 18 3.192 -19.224 -2.648 1.00 0.00 N ATOM 0 H LYS A 18 5.373 -15.167 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 18 6.548 -13.441 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.052 -16.400 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.042 -15.455 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.734 -15.495 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.479 -15.617 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.325 -17.969 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.543 -17.843 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.263 -17.877 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.840 -17.138 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.192 -19.457 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.383 -19.220 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.793 -19.936 -2.186 1.00 0.00 H new ATOM 242 N MET A 19 8.221 -14.460 -5.368 1.00 0.00 N ATOM 243 CA MET A 19 9.512 -14.416 -6.044 1.00 0.00 C ATOM 244 C MET A 19 9.880 -12.984 -6.421 1.00 0.00 C ATOM 245 O MET A 19 10.843 -12.752 -7.152 1.00 0.00 O ATOM 246 CB MET A 19 9.486 -15.295 -7.296 1.00 0.00 C ATOM 247 CG MET A 19 8.608 -14.743 -8.408 1.00 0.00 C ATOM 248 SD MET A 19 8.511 -15.848 -9.830 1.00 0.00 S ATOM 249 CE MET A 19 7.552 -17.197 -9.146 1.00 0.00 C ATOM 0 H MET A 19 7.433 -14.680 -5.977 1.00 0.00 H new ATOM 0 HA MET A 19 10.267 -14.797 -5.357 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.503 -15.410 -7.670 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.132 -16.290 -7.024 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.605 -14.567 -8.020 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.999 -13.778 -8.729 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.137 -17.796 -9.957 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.194 -17.822 -8.525 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.741 -16.795 -8.539 1.00 0.00 H new ATOM 259 N LYS A 20 9.107 -12.028 -5.917 1.00 0.00 N ATOM 260 CA LYS A 20 9.352 -10.618 -6.200 1.00 0.00 C ATOM 261 C LYS A 20 9.742 -9.869 -4.930 1.00 0.00 C ATOM 262 O LYS A 20 9.050 -9.944 -3.914 1.00 0.00 O ATOM 263 CB LYS A 20 8.108 -9.978 -6.821 1.00 0.00 C ATOM 264 CG LYS A 20 8.102 -10.010 -8.340 1.00 0.00 C ATOM 265 CD LYS A 20 8.156 -11.434 -8.868 1.00 0.00 C ATOM 266 CE LYS A 20 7.459 -11.556 -10.215 1.00 0.00 C ATOM 267 NZ LYS A 20 8.062 -12.626 -11.056 1.00 0.00 N ATOM 0 H LYS A 20 8.306 -12.203 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 20 10.178 -10.553 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.221 -10.493 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.037 -8.943 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.204 -9.517 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.955 -9.447 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.195 -11.748 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.685 -12.107 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.402 -11.769 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.518 -10.604 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.665 -12.578 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.093 -12.493 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.850 -13.555 -10.640 1.00 0.00 H new ATOM 281 N LYS A 21 10.853 -9.143 -4.994 1.00 0.00 N ATOM 282 CA LYS A 21 11.334 -8.377 -3.851 1.00 0.00 C ATOM 283 C LYS A 21 10.715 -6.983 -3.831 1.00 0.00 C ATOM 284 O LYS A 21 10.385 -6.425 -4.877 1.00 0.00 O ATOM 285 CB LYS A 21 12.860 -8.268 -3.889 1.00 0.00 C ATOM 286 CG LYS A 21 13.572 -9.556 -3.512 1.00 0.00 C ATOM 287 CD LYS A 21 15.066 -9.466 -3.774 1.00 0.00 C ATOM 288 CE LYS A 21 15.395 -9.753 -5.231 1.00 0.00 C ATOM 289 NZ LYS A 21 16.864 -9.811 -5.467 1.00 0.00 N ATOM 0 H LYS A 21 11.438 -9.069 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 21 11.036 -8.901 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.170 -7.972 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.176 -7.476 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.399 -9.773 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.151 -10.385 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.424 -8.471 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.592 -10.175 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.942 -10.700 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.956 -8.980 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.047 -10.009 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.293 -8.899 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.280 -10.566 -4.885 1.00 0.00 H new ATOM 303 N ARG A 22 10.562 -6.426 -2.634 1.00 0.00 N ATOM 304 CA ARG A 22 9.983 -5.097 -2.479 1.00 0.00 C ATOM 305 C ARG A 22 10.535 -4.137 -3.529 1.00 0.00 C ATOM 306 O ARG A 22 9.784 -3.392 -4.157 1.00 0.00 O ATOM 307 CB ARG A 22 10.268 -4.554 -1.077 1.00 0.00 C ATOM 308 CG ARG A 22 11.750 -4.443 -0.756 1.00 0.00 C ATOM 309 CD ARG A 22 12.002 -4.514 0.742 1.00 0.00 C ATOM 310 NE ARG A 22 13.262 -3.878 1.115 1.00 0.00 N ATOM 311 CZ ARG A 22 13.454 -2.563 1.104 1.00 0.00 C ATOM 312 NH1 ARG A 22 12.471 -1.750 0.741 1.00 0.00 N ATOM 313 NH2 ARG A 22 14.629 -2.059 1.457 1.00 0.00 N ATOM 0 H ARG A 22 10.831 -6.874 -1.758 1.00 0.00 H new ATOM 0 HA ARG A 22 8.905 -5.180 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.809 -3.571 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.793 -5.204 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.293 -5.245 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.139 -3.503 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.181 -4.030 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.015 -5.557 1.059 1.00 0.00 H new ATOM 0 HE ARG A 22 14.038 -4.476 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.566 -2.134 0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.620 -0.741 0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.387 -2.681 1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.774 -1.049 1.448 1.00 0.00 H new ATOM 327 N GLU A 23 11.851 -4.162 -3.714 1.00 0.00 N ATOM 328 CA GLU A 23 12.502 -3.294 -4.687 1.00 0.00 C ATOM 329 C GLU A 23 11.754 -3.309 -6.017 1.00 0.00 C ATOM 330 O GLU A 23 11.629 -2.282 -6.683 1.00 0.00 O ATOM 331 CB GLU A 23 13.954 -3.728 -4.901 1.00 0.00 C ATOM 332 CG GLU A 23 14.095 -5.161 -5.385 1.00 0.00 C ATOM 333 CD GLU A 23 15.521 -5.510 -5.767 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.398 -5.477 -4.879 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.758 -5.817 -6.954 1.00 0.00 O ATOM 0 H GLU A 23 12.487 -4.774 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 23 12.488 -2.277 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.421 -3.061 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.500 -3.614 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.756 -5.840 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.444 -5.316 -6.245 1.00 0.00 H new ATOM 342 N GLU A 24 11.258 -4.483 -6.396 1.00 0.00 N ATOM 343 CA GLU A 24 10.524 -4.633 -7.647 1.00 0.00 C ATOM 344 C GLU A 24 9.075 -4.182 -7.485 1.00 0.00 C ATOM 345 O GLU A 24 8.512 -3.538 -8.370 1.00 0.00 O ATOM 346 CB GLU A 24 10.567 -6.088 -8.118 1.00 0.00 C ATOM 347 CG GLU A 24 11.928 -6.521 -8.635 1.00 0.00 C ATOM 348 CD GLU A 24 11.839 -7.658 -9.634 1.00 0.00 C ATOM 349 OE1 GLU A 24 10.863 -7.689 -10.413 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.745 -8.517 -9.637 1.00 0.00 O ATOM 0 H GLU A 24 11.351 -5.343 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 24 11.001 -4.002 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.279 -6.737 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.827 -6.228 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.422 -5.670 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.550 -6.829 -7.795 1.00 0.00 H new ATOM 357 N ILE A 25 8.479 -4.525 -6.348 1.00 0.00 N ATOM 358 CA ILE A 25 7.097 -4.156 -6.069 1.00 0.00 C ATOM 359 C ILE A 25 6.896 -2.649 -6.187 1.00 0.00 C ATOM 360 O ILE A 25 5.954 -2.185 -6.831 1.00 0.00 O ATOM 361 CB ILE A 25 6.665 -4.611 -4.662 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.887 -6.116 -4.500 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.207 -4.255 -4.415 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.845 -6.581 -3.061 1.00 0.00 C ATOM 0 H ILE A 25 8.932 -5.058 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 25 6.480 -4.662 -6.811 1.00 0.00 H new ATOM 0 HB ILE A 25 7.275 -4.091 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.126 -6.651 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.852 -6.381 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.916 -4.583 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.078 -3.176 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.581 -4.751 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.010 -7.658 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.624 -6.074 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.871 -6.347 -2.631 1.00 0.00 H new ATOM 376 N LEU A 26 7.789 -1.888 -5.563 1.00 0.00 N ATOM 377 CA LEU A 26 7.712 -0.432 -5.599 1.00 0.00 C ATOM 378 C LEU A 26 7.581 0.071 -7.033 1.00 0.00 C ATOM 379 O LEU A 26 6.581 0.690 -7.394 1.00 0.00 O ATOM 380 CB LEU A 26 8.950 0.180 -4.942 1.00 0.00 C ATOM 381 CG LEU A 26 9.180 1.670 -5.202 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.489 2.510 -4.140 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.670 1.980 -5.243 1.00 0.00 C ATOM 0 H LEU A 26 8.575 -2.255 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 26 6.825 -0.126 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.879 0.026 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.827 -0.368 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 26 8.749 1.921 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.664 3.567 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.418 2.309 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.889 2.257 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.815 3.044 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.124 1.713 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.139 1.405 -6.041 1.00 0.00 H new ATOM 395 N GLU A 27 8.597 -0.202 -7.845 1.00 0.00 N ATOM 396 CA GLU A 27 8.595 0.223 -9.240 1.00 0.00 C ATOM 397 C GLU A 27 7.246 -0.065 -9.894 1.00 0.00 C ATOM 398 O GLU A 27 6.595 0.838 -10.419 1.00 0.00 O ATOM 399 CB GLU A 27 9.709 -0.485 -10.014 1.00 0.00 C ATOM 400 CG GLU A 27 10.140 0.252 -11.271 1.00 0.00 C ATOM 401 CD GLU A 27 10.672 -0.681 -12.341 1.00 0.00 C ATOM 402 OE1 GLU A 27 11.488 -1.565 -12.005 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.273 -0.527 -13.514 1.00 0.00 O ATOM 0 H GLU A 27 9.432 -0.715 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 27 8.771 1.298 -9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.573 -0.607 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.372 -1.485 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.292 0.810 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.909 0.981 -11.015 1.00 0.00 H new ATOM 410 N GLU A 28 6.834 -1.328 -9.857 1.00 0.00 N ATOM 411 CA GLU A 28 5.564 -1.735 -10.446 1.00 0.00 C ATOM 412 C GLU A 28 4.425 -0.848 -9.951 1.00 0.00 C ATOM 413 O GLU A 28 3.418 -0.671 -10.637 1.00 0.00 O ATOM 414 CB GLU A 28 5.267 -3.198 -10.113 1.00 0.00 C ATOM 415 CG GLU A 28 5.842 -4.181 -11.120 1.00 0.00 C ATOM 416 CD GLU A 28 7.165 -3.717 -11.697 1.00 0.00 C ATOM 417 OE1 GLU A 28 8.084 -3.419 -10.905 1.00 0.00 O ATOM 418 OE2 GLU A 28 7.283 -3.653 -12.938 1.00 0.00 O ATOM 0 H GLU A 28 7.361 -2.087 -9.425 1.00 0.00 H new ATOM 0 HA GLU A 28 5.643 -1.625 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.669 -3.426 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.187 -3.337 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.979 -5.150 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.127 -4.326 -11.930 1.00 0.00 H new ATOM 425 N ILE A 29 4.593 -0.293 -8.755 1.00 0.00 N ATOM 426 CA ILE A 29 3.581 0.575 -8.168 1.00 0.00 C ATOM 427 C ILE A 29 3.758 2.018 -8.630 1.00 0.00 C ATOM 428 O ILE A 29 2.784 2.711 -8.922 1.00 0.00 O ATOM 429 CB ILE A 29 3.626 0.533 -6.629 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.174 -0.838 -6.122 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.756 1.634 -6.042 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.791 -1.230 -6.591 1.00 0.00 C ATOM 0 H ILE A 29 5.420 -0.429 -8.174 1.00 0.00 H new ATOM 0 HA ILE A 29 2.614 0.203 -8.506 1.00 0.00 H new ATOM 0 HB ILE A 29 4.654 0.699 -6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.888 -1.592 -6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.193 -0.838 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.799 1.590 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.119 2.604 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.726 1.497 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.537 -2.213 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.066 -0.497 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.772 -1.263 -7.680 1.00 0.00 H new ATOM 444 N ALA A 30 5.009 2.462 -8.697 1.00 0.00 N ATOM 445 CA ALA A 30 5.315 3.821 -9.128 1.00 0.00 C ATOM 446 C ALA A 30 4.690 4.119 -10.486 1.00 0.00 C ATOM 447 O ALA A 30 4.608 5.275 -10.904 1.00 0.00 O ATOM 448 CB ALA A 30 6.821 4.031 -9.180 1.00 0.00 C ATOM 0 H ALA A 30 5.827 1.901 -8.458 1.00 0.00 H new ATOM 0 HA ALA A 30 4.888 4.512 -8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.035 5.050 -9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.246 3.868 -8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.263 3.326 -9.885 1.00 0.00 H new ATOM 454 N LYS A 31 4.250 3.071 -11.173 1.00 0.00 N ATOM 455 CA LYS A 31 3.631 3.220 -12.485 1.00 0.00 C ATOM 456 C LYS A 31 2.117 3.059 -12.394 1.00 0.00 C ATOM 457 O LYS A 31 1.363 3.883 -12.911 1.00 0.00 O ATOM 458 CB LYS A 31 4.206 2.192 -13.463 1.00 0.00 C ATOM 459 CG LYS A 31 4.410 0.817 -12.850 1.00 0.00 C ATOM 460 CD LYS A 31 5.036 -0.148 -13.842 1.00 0.00 C ATOM 461 CE LYS A 31 6.535 0.076 -13.968 1.00 0.00 C ATOM 462 NZ LYS A 31 7.161 -0.883 -14.920 1.00 0.00 N ATOM 0 H LYS A 31 4.311 2.108 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 31 3.851 4.223 -12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.537 2.103 -14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.161 2.557 -13.841 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.048 0.901 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.452 0.422 -12.512 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.846 -1.173 -13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.565 -0.025 -14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.723 1.096 -14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.001 -0.028 -12.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.106 -0.540 -15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.246 -1.816 -14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.569 -0.964 -15.771 1.00 0.00 H new ATOM 476 N VAL A 32 1.678 1.993 -11.733 1.00 0.00 N ATOM 477 CA VAL A 32 0.254 1.725 -11.572 1.00 0.00 C ATOM 478 C VAL A 32 -0.418 2.810 -10.737 1.00 0.00 C ATOM 479 O VAL A 32 -1.598 3.110 -10.922 1.00 0.00 O ATOM 480 CB VAL A 32 0.011 0.357 -10.906 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.852 -0.719 -11.576 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.311 0.429 -9.417 1.00 0.00 C ATOM 0 H VAL A 32 2.289 1.300 -11.300 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.181 1.717 -12.571 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.039 0.093 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.668 -1.678 -11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.584 -0.786 -12.630 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.908 -0.464 -11.486 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.134 -0.546 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.352 0.715 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.338 1.170 -8.950 1.00 0.00 H new ATOM 492 N THR A 33 0.342 3.397 -9.818 1.00 0.00 N ATOM 493 CA THR A 33 -0.180 4.449 -8.954 1.00 0.00 C ATOM 494 C THR A 33 0.859 5.543 -8.731 1.00 0.00 C ATOM 495 O THR A 33 1.898 5.308 -8.117 1.00 0.00 O ATOM 496 CB THR A 33 -0.619 3.888 -7.588 1.00 0.00 C ATOM 497 OG1 THR A 33 0.520 3.397 -6.871 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.635 2.770 -7.764 1.00 0.00 C ATOM 0 H THR A 33 1.321 3.162 -9.653 1.00 0.00 H new ATOM 0 HA THR A 33 -1.047 4.873 -9.460 1.00 0.00 H new ATOM 0 HB THR A 33 -1.084 4.694 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.335 3.803 -7.234 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.930 2.389 -6.786 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.513 3.154 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.191 1.964 -8.348 1.00 0.00 H new ATOM 506 N GLU A 34 0.569 6.739 -9.235 1.00 0.00 N ATOM 507 CA GLU A 34 1.479 7.869 -9.090 1.00 0.00 C ATOM 508 C GLU A 34 1.257 8.579 -7.758 1.00 0.00 C ATOM 509 O GLU A 34 0.135 8.952 -7.420 1.00 0.00 O ATOM 510 CB GLU A 34 1.290 8.855 -10.244 1.00 0.00 C ATOM 511 CG GLU A 34 1.989 8.434 -11.526 1.00 0.00 C ATOM 512 CD GLU A 34 1.944 9.508 -12.595 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.038 10.702 -12.241 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.816 9.154 -13.786 1.00 0.00 O ATOM 0 H GLU A 34 -0.288 6.950 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 34 2.499 7.486 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.224 8.969 -10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.664 9.833 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.028 8.190 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.522 7.526 -11.909 1.00 0.00 H new ATOM 521 N GLY A 35 2.337 8.762 -7.004 1.00 0.00 N ATOM 522 CA GLY A 35 2.240 9.426 -5.717 1.00 0.00 C ATOM 523 C GLY A 35 2.748 8.562 -4.580 1.00 0.00 C ATOM 524 O GLY A 35 2.558 8.891 -3.408 1.00 0.00 O ATOM 0 H GLY A 35 3.277 8.462 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.810 10.354 -5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.201 9.696 -5.528 1.00 0.00 H new ATOM 528 N VAL A 36 3.394 7.452 -4.924 1.00 0.00 N ATOM 529 CA VAL A 36 3.929 6.538 -3.922 1.00 0.00 C ATOM 530 C VAL A 36 5.258 7.044 -3.371 1.00 0.00 C ATOM 531 O VAL A 36 5.945 7.842 -4.011 1.00 0.00 O ATOM 532 CB VAL A 36 4.131 5.126 -4.503 1.00 0.00 C ATOM 533 CG1 VAL A 36 2.989 4.766 -5.441 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.470 5.031 -5.218 1.00 0.00 C ATOM 0 H VAL A 36 3.559 7.164 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 36 3.199 6.490 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 36 4.133 4.410 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.149 3.765 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.047 4.791 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.952 5.483 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.596 4.027 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.500 5.756 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.274 5.242 -4.513 1.00 0.00 H new ATOM 544 N LEU A 37 5.615 6.575 -2.181 1.00 0.00 N ATOM 545 CA LEU A 37 6.863 6.979 -1.542 1.00 0.00 C ATOM 546 C LEU A 37 7.809 5.791 -1.395 1.00 0.00 C ATOM 547 O LEU A 37 8.986 5.875 -1.746 1.00 0.00 O ATOM 548 CB LEU A 37 6.581 7.594 -0.170 1.00 0.00 C ATOM 549 CG LEU A 37 7.568 8.662 0.302 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.667 9.786 -0.718 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.153 9.208 1.661 1.00 0.00 C ATOM 0 H LEU A 37 5.058 5.915 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 37 7.342 7.725 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.583 8.033 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.563 6.793 0.569 1.00 0.00 H new ATOM 0 HG LEU A 37 8.551 8.202 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.374 10.537 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.011 9.383 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.687 10.244 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.867 9.967 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.160 9.652 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.135 8.397 2.389 1.00 0.00 H new ATOM 563 N ASP A 38 7.285 4.686 -0.876 1.00 0.00 N ATOM 564 CA ASP A 38 8.082 3.479 -0.685 1.00 0.00 C ATOM 565 C ASP A 38 7.185 2.268 -0.447 1.00 0.00 C ATOM 566 O ASP A 38 6.015 2.409 -0.091 1.00 0.00 O ATOM 567 CB ASP A 38 9.042 3.657 0.492 1.00 0.00 C ATOM 568 CG ASP A 38 10.282 2.795 0.363 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.701 2.524 -0.783 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.835 2.391 1.407 1.00 0.00 O ATOM 0 H ASP A 38 6.313 4.601 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 38 8.660 3.308 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.337 4.704 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.525 3.409 1.419 1.00 0.00 H new ATOM 575 N VAL A 39 7.742 1.078 -0.648 1.00 0.00 N ATOM 576 CA VAL A 39 6.993 -0.158 -0.455 1.00 0.00 C ATOM 577 C VAL A 39 7.633 -1.026 0.622 1.00 0.00 C ATOM 578 O VAL A 39 8.854 -1.185 0.661 1.00 0.00 O ATOM 579 CB VAL A 39 6.900 -0.967 -1.763 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.406 -2.379 -1.483 1.00 0.00 C ATOM 581 CG2 VAL A 39 5.993 -0.264 -2.761 1.00 0.00 C ATOM 0 H VAL A 39 8.709 0.944 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 39 5.989 0.126 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 39 7.897 -1.036 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.346 -2.936 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.099 -2.879 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.418 -2.335 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.939 -0.849 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.994 -0.162 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.395 0.724 -2.984 1.00 0.00 H new ATOM 591 N ILE A 40 6.802 -1.586 1.494 1.00 0.00 N ATOM 592 CA ILE A 40 7.286 -2.440 2.572 1.00 0.00 C ATOM 593 C ILE A 40 6.702 -3.844 2.466 1.00 0.00 C ATOM 594 O ILE A 40 5.485 -4.018 2.400 1.00 0.00 O ATOM 595 CB ILE A 40 6.940 -1.854 3.953 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.501 -0.437 4.087 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.479 -2.750 5.059 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.678 0.457 4.987 1.00 0.00 C ATOM 0 H ILE A 40 5.790 -1.464 1.475 1.00 0.00 H new ATOM 0 HA ILE A 40 8.370 -2.492 2.470 1.00 0.00 H new ATOM 0 HB ILE A 40 5.855 -1.805 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.518 -0.493 4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.563 0.016 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.226 -2.322 6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.035 -3.742 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.562 -2.829 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.135 1.445 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.667 0.544 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.637 0.027 5.988 1.00 0.00 H new ATOM 806 N PHE A 54 1.714 -10.640 0.013 1.00 0.00 N ATOM 807 CA PHE A 54 1.177 -9.287 0.104 1.00 0.00 C ATOM 808 C PHE A 54 2.297 -8.268 0.292 1.00 0.00 C ATOM 809 O PHE A 54 3.415 -8.621 0.665 1.00 0.00 O ATOM 810 CB PHE A 54 0.182 -9.188 1.262 1.00 0.00 C ATOM 811 CG PHE A 54 -0.041 -7.783 1.742 1.00 0.00 C ATOM 812 CD1 PHE A 54 0.796 -7.220 2.692 1.00 0.00 C ATOM 813 CD2 PHE A 54 -1.088 -7.024 1.244 1.00 0.00 C ATOM 814 CE1 PHE A 54 0.593 -5.928 3.136 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.296 -5.730 1.684 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.453 -5.181 2.631 1.00 0.00 C ATOM 0 HA PHE A 54 0.661 -9.064 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.772 -9.612 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.542 -9.794 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.617 -7.798 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.749 -7.448 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.252 -5.502 3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.116 -5.149 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.612 -4.170 2.976 1.00 0.00 H new ATOM 826 N ALA A 55 1.987 -7.003 0.031 1.00 0.00 N ATOM 827 CA ALA A 55 2.966 -5.932 0.173 1.00 0.00 C ATOM 828 C ALA A 55 2.300 -4.636 0.623 1.00 0.00 C ATOM 829 O ALA A 55 1.083 -4.483 0.520 1.00 0.00 O ATOM 830 CB ALA A 55 3.708 -5.718 -1.138 1.00 0.00 C ATOM 0 H ALA A 55 1.066 -6.694 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 55 3.682 -6.227 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.436 -4.916 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.224 -6.636 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.997 -5.448 -1.919 1.00 0.00 H new ATOM 836 N PHE A 56 3.106 -3.705 1.125 1.00 0.00 N ATOM 837 CA PHE A 56 2.594 -2.423 1.593 1.00 0.00 C ATOM 838 C PHE A 56 3.157 -1.275 0.759 1.00 0.00 C ATOM 839 O PHE A 56 4.342 -1.259 0.425 1.00 0.00 O ATOM 840 CB PHE A 56 2.947 -2.217 3.068 1.00 0.00 C ATOM 841 CG PHE A 56 1.892 -2.720 4.012 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.591 -2.252 3.930 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.203 -3.660 4.981 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.382 -2.713 4.798 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.235 -4.125 5.851 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.059 -3.649 5.760 1.00 0.00 C ATOM 0 H PHE A 56 4.116 -3.815 1.218 1.00 0.00 H new ATOM 0 HA PHE A 56 1.510 -2.431 1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.887 -2.725 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.109 -1.155 3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.333 -1.519 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.213 -4.034 5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.393 -2.341 4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.490 -4.859 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.817 -4.009 6.440 1.00 0.00 H new ATOM 856 N VAL A 57 2.298 -0.317 0.425 1.00 0.00 N ATOM 857 CA VAL A 57 2.708 0.834 -0.369 1.00 0.00 C ATOM 858 C VAL A 57 2.444 2.138 0.376 1.00 0.00 C ATOM 859 O VAL A 57 1.298 2.562 0.517 1.00 0.00 O ATOM 860 CB VAL A 57 1.975 0.872 -1.723 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.703 1.782 -2.700 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.834 -0.532 -2.292 1.00 0.00 C ATOM 0 H VAL A 57 1.314 -0.316 0.692 1.00 0.00 H new ATOM 0 HA VAL A 57 3.778 0.731 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 57 0.976 1.277 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.170 1.796 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.746 2.792 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.716 1.411 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.314 -0.486 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.823 -0.967 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.264 -1.150 -1.598 1.00 0.00 H new ATOM 872 N GLU A 58 3.514 2.769 0.851 1.00 0.00 N ATOM 873 CA GLU A 58 3.397 4.025 1.582 1.00 0.00 C ATOM 874 C GLU A 58 3.366 5.212 0.624 1.00 0.00 C ATOM 875 O GLU A 58 4.284 5.403 -0.174 1.00 0.00 O ATOM 876 CB GLU A 58 4.560 4.179 2.565 1.00 0.00 C ATOM 877 CG GLU A 58 4.226 5.035 3.774 1.00 0.00 C ATOM 878 CD GLU A 58 5.436 5.766 4.323 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.462 5.105 4.585 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.356 7.002 4.491 1.00 0.00 O ATOM 0 H GLU A 58 4.470 2.431 0.743 1.00 0.00 H new ATOM 0 HA GLU A 58 2.460 4.005 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.871 3.191 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.410 4.618 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.461 5.761 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.802 4.404 4.555 1.00 0.00 H new ATOM 887 N TYR A 59 2.304 6.005 0.709 1.00 0.00 N ATOM 888 CA TYR A 59 2.151 7.171 -0.152 1.00 0.00 C ATOM 889 C TYR A 59 2.401 8.460 0.626 1.00 0.00 C ATOM 890 O TYR A 59 2.034 8.573 1.794 1.00 0.00 O ATOM 891 CB TYR A 59 0.750 7.198 -0.766 1.00 0.00 C ATOM 892 CG TYR A 59 0.501 6.082 -1.756 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.191 4.799 -1.324 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.576 6.312 -3.124 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.036 3.777 -2.225 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.349 5.296 -4.033 1.00 0.00 C ATOM 897 CZ TYR A 59 0.044 4.030 -3.578 1.00 0.00 C ATOM 898 OH TYR A 59 -0.183 3.015 -4.479 1.00 0.00 O ATOM 0 H TYR A 59 1.537 5.862 1.365 1.00 0.00 H new ATOM 0 HA TYR A 59 2.890 7.100 -0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.011 7.135 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.599 8.155 -1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.126 4.597 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.816 7.302 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.275 2.785 -1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.410 5.492 -5.093 1.00 0.00 H new ATOM 0 HH TYR A 59 0.422 3.114 -5.243 1.00 0.00 H new ATOM 908 N GLU A 60 3.030 9.428 -0.033 1.00 0.00 N ATOM 909 CA GLU A 60 3.330 10.709 0.596 1.00 0.00 C ATOM 910 C GLU A 60 2.048 11.467 0.927 1.00 0.00 C ATOM 911 O GLU A 60 1.861 11.931 2.052 1.00 0.00 O ATOM 912 CB GLU A 60 4.215 11.557 -0.320 1.00 0.00 C ATOM 913 CG GLU A 60 3.633 11.763 -1.708 1.00 0.00 C ATOM 914 CD GLU A 60 4.604 12.445 -2.652 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.303 13.381 -2.209 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.664 12.046 -3.834 1.00 0.00 O ATOM 0 H GLU A 60 3.341 9.350 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 60 3.865 10.512 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.378 12.530 0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.191 11.080 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.345 10.798 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.725 12.361 -1.632 1.00 0.00 H new ATOM 923 N SER A 61 1.167 11.588 -0.061 1.00 0.00 N ATOM 924 CA SER A 61 -0.096 12.293 0.123 1.00 0.00 C ATOM 925 C SER A 61 -1.222 11.315 0.443 1.00 0.00 C ATOM 926 O SER A 61 -1.475 10.373 -0.310 1.00 0.00 O ATOM 927 CB SER A 61 -0.443 13.096 -1.132 1.00 0.00 C ATOM 928 OG SER A 61 -1.816 13.447 -1.148 1.00 0.00 O ATOM 0 H SER A 61 1.305 11.207 -0.997 1.00 0.00 H new ATOM 0 HA SER A 61 0.017 12.977 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.167 13.998 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.203 12.511 -2.020 1.00 0.00 H new ATOM 0 HG SER A 61 -2.013 13.961 -1.959 1.00 0.00 H new ATOM 934 N HIS A 62 -1.897 11.544 1.565 1.00 0.00 N ATOM 935 CA HIS A 62 -2.997 10.684 1.985 1.00 0.00 C ATOM 936 C HIS A 62 -3.952 10.418 0.826 1.00 0.00 C ATOM 937 O HIS A 62 -4.564 9.353 0.745 1.00 0.00 O ATOM 938 CB HIS A 62 -3.756 11.323 3.149 1.00 0.00 C ATOM 939 CG HIS A 62 -4.690 10.381 3.844 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.589 9.581 3.172 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.860 10.113 5.160 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.274 8.863 4.044 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.850 9.167 5.258 1.00 0.00 N ATOM 0 H HIS A 62 -1.701 12.318 2.200 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.577 9.733 2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.038 11.709 3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.324 12.176 2.777 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.707 9.548 2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.318 10.560 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.049 8.149 3.805 1.00 0.00 H new ATOM 951 N ARG A 63 -4.075 11.393 -0.069 1.00 0.00 N ATOM 952 CA ARG A 63 -4.957 11.264 -1.223 1.00 0.00 C ATOM 953 C ARG A 63 -4.364 10.312 -2.257 1.00 0.00 C ATOM 954 O ARG A 63 -5.040 9.403 -2.738 1.00 0.00 O ATOM 955 CB ARG A 63 -5.204 12.634 -1.858 1.00 0.00 C ATOM 956 CG ARG A 63 -6.259 12.616 -2.952 1.00 0.00 C ATOM 957 CD ARG A 63 -7.650 12.391 -2.381 1.00 0.00 C ATOM 958 NE ARG A 63 -8.210 13.610 -1.804 1.00 0.00 N ATOM 959 CZ ARG A 63 -8.701 14.608 -2.530 1.00 0.00 C ATOM 960 NH1 ARG A 63 -8.702 14.532 -3.854 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.193 15.686 -1.932 1.00 0.00 N ATOM 0 H ARG A 63 -3.575 12.281 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.906 10.854 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.510 13.335 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.268 13.007 -2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.236 13.560 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.027 11.829 -3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.310 12.026 -3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.607 11.615 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.225 13.700 -0.788 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.325 13.705 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.080 15.300 -4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.194 15.749 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.570 16.452 -2.491 1.00 0.00 H new ATOM 975 N ALA A 64 -3.097 10.528 -2.595 1.00 0.00 N ATOM 976 CA ALA A 64 -2.413 9.688 -3.570 1.00 0.00 C ATOM 977 C ALA A 64 -2.759 8.217 -3.367 1.00 0.00 C ATOM 978 O ALA A 64 -2.827 7.448 -4.325 1.00 0.00 O ATOM 979 CB ALA A 64 -0.908 9.895 -3.481 1.00 0.00 C ATOM 0 H ALA A 64 -2.524 11.278 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.751 9.980 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.410 9.261 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.672 10.940 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.563 9.632 -2.481 1.00 0.00 H new ATOM 985 N ALA A 65 -2.977 7.832 -2.114 1.00 0.00 N ATOM 986 CA ALA A 65 -3.317 6.454 -1.786 1.00 0.00 C ATOM 987 C ALA A 65 -4.822 6.224 -1.876 1.00 0.00 C ATOM 988 O ALA A 65 -5.273 5.148 -2.269 1.00 0.00 O ATOM 989 CB ALA A 65 -2.810 6.101 -0.395 1.00 0.00 C ATOM 0 H ALA A 65 -2.924 8.456 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.832 5.803 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.071 5.068 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.727 6.217 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.268 6.764 0.339 1.00 0.00 H new ATOM 995 N ALA A 66 -5.594 7.241 -1.508 1.00 0.00 N ATOM 996 CA ALA A 66 -7.049 7.149 -1.548 1.00 0.00 C ATOM 997 C ALA A 66 -7.552 7.035 -2.983 1.00 0.00 C ATOM 998 O ALA A 66 -8.533 6.344 -3.254 1.00 0.00 O ATOM 999 CB ALA A 66 -7.672 8.356 -0.863 1.00 0.00 C ATOM 0 H ALA A 66 -5.237 8.138 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.347 6.247 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.758 8.275 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.346 8.393 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.359 9.266 -1.374 1.00 0.00 H new ATOM 1005 N MET A 67 -6.873 7.718 -3.899 1.00 0.00 N ATOM 1006 CA MET A 67 -7.252 7.692 -5.308 1.00 0.00 C ATOM 1007 C MET A 67 -6.546 6.555 -6.040 1.00 0.00 C ATOM 1008 O MET A 67 -7.058 6.028 -7.027 1.00 0.00 O ATOM 1009 CB MET A 67 -6.916 9.028 -5.973 1.00 0.00 C ATOM 1010 CG MET A 67 -5.439 9.385 -5.908 1.00 0.00 C ATOM 1011 SD MET A 67 -4.988 10.688 -7.071 1.00 0.00 S ATOM 1012 CE MET A 67 -3.598 9.928 -7.908 1.00 0.00 C ATOM 0 H MET A 67 -6.058 8.296 -3.692 1.00 0.00 H new ATOM 0 HA MET A 67 -8.328 7.526 -5.366 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.227 8.993 -7.017 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.494 9.818 -5.494 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.191 9.705 -4.896 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.845 8.495 -6.116 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.207 10.613 -8.660 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.816 9.701 -7.183 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.924 9.007 -8.391 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.369 6.182 -5.549 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.595 5.106 -6.156 1.00 0.00 C ATOM 1024 C ALA A 68 -5.326 3.772 -6.042 1.00 0.00 C ATOM 1025 O ALA A 68 -5.317 2.968 -6.974 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.221 5.014 -5.508 1.00 0.00 C ATOM 0 H ALA A 68 -4.931 6.609 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.471 5.333 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.654 4.206 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.690 5.956 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.334 4.814 -4.443 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.957 3.544 -4.895 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.691 2.307 -4.659 1.00 0.00 C ATOM 1034 C ARG A 69 -7.868 2.181 -5.623 1.00 0.00 C ATOM 1035 O ARG A 69 -8.018 1.168 -6.306 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.192 2.253 -3.215 1.00 0.00 C ATOM 1037 CG ARG A 69 -8.029 3.458 -2.816 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.258 3.503 -1.313 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.471 2.789 -0.923 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.681 3.336 -0.934 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.839 4.597 -1.314 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.737 2.622 -0.565 1.00 0.00 N ATOM 0 H ARG A 69 -5.975 4.200 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.011 1.472 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.784 1.348 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.336 2.178 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.529 4.372 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.989 3.422 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.400 3.066 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.328 4.541 -0.988 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.384 1.817 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.030 5.149 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.770 5.015 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.620 1.652 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.666 3.043 -0.574 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.700 3.216 -5.670 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.864 3.221 -6.548 1.00 0.00 C ATOM 1058 C ARG A 70 -9.480 2.800 -7.963 1.00 0.00 C ATOM 1059 O ARG A 70 -10.331 2.394 -8.755 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.504 4.610 -6.574 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.501 4.801 -7.705 1.00 0.00 C ATOM 1062 CD ARG A 70 -12.218 6.137 -7.597 1.00 0.00 C ATOM 1063 NE ARG A 70 -13.417 6.184 -8.429 1.00 0.00 N ATOM 1064 CZ ARG A 70 -14.508 5.466 -8.187 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -14.551 4.650 -7.143 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -15.560 5.563 -8.991 1.00 0.00 N ATOM 0 H ARG A 70 -8.590 4.062 -5.111 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.585 2.503 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.008 4.786 -5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.719 5.361 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.983 4.742 -8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.232 3.992 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.491 6.319 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.540 6.937 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.417 6.802 -9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.745 4.572 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.390 4.100 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.531 6.189 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.397 5.011 -8.804 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.192 2.901 -8.276 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.693 2.531 -9.595 1.00 0.00 C ATOM 1082 C LYS A 71 -7.540 1.017 -9.713 1.00 0.00 C ATOM 1083 O LYS A 71 -8.071 0.400 -10.638 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.350 3.212 -9.864 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.869 3.064 -11.298 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.568 3.813 -11.530 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.964 3.475 -12.884 1.00 0.00 C ATOM 1088 NZ LYS A 71 -4.460 4.383 -13.955 1.00 0.00 N ATOM 0 H LYS A 71 -7.475 3.236 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.418 2.865 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.436 4.272 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.599 2.794 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.728 2.008 -11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.632 3.439 -11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.749 4.886 -11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.858 3.564 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.878 3.543 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.205 2.444 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.025 4.120 -14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.494 4.299 -14.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.208 5.365 -13.722 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.813 0.425 -8.773 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.591 -1.016 -8.771 1.00 0.00 C ATOM 1104 C LEU A 72 -7.670 -1.732 -7.964 1.00 0.00 C ATOM 1105 O LEU A 72 -7.587 -2.937 -7.730 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.211 -1.339 -8.197 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.125 -0.288 -8.429 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.988 -0.466 -7.434 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.603 -0.365 -9.856 1.00 0.00 C ATOM 0 H LEU A 72 -6.367 0.921 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.640 -1.367 -9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.314 -1.495 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.873 -2.282 -8.626 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.564 0.698 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.225 0.291 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.372 -0.359 -6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.551 -1.458 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.831 0.390 -10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.182 -1.354 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.422 -0.187 -10.553 1.00 0.00 H new ATOM 1121 N MET A 73 -8.683 -0.982 -7.544 1.00 0.00 N ATOM 1122 CA MET A 73 -9.780 -1.545 -6.766 1.00 0.00 C ATOM 1123 C MET A 73 -10.554 -2.574 -7.585 1.00 0.00 C ATOM 1124 O MET A 73 -10.773 -3.707 -7.155 1.00 0.00 O ATOM 1125 CB MET A 73 -10.723 -0.436 -6.296 1.00 0.00 C ATOM 1126 CG MET A 73 -11.287 -0.668 -4.904 1.00 0.00 C ATOM 1127 SD MET A 73 -12.404 0.647 -4.379 1.00 0.00 S ATOM 1128 CE MET A 73 -11.301 1.654 -3.390 1.00 0.00 C ATOM 0 H MET A 73 -8.767 0.017 -7.729 1.00 0.00 H new ATOM 0 HA MET A 73 -9.356 -2.044 -5.895 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.189 0.514 -6.309 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.548 -0.347 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.818 -1.620 -4.885 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.466 -0.748 -4.192 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.811 2.572 -3.097 1.00 0.00 H new ATOM 0 HE2 MET A 73 -11.006 1.102 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.414 1.902 -3.973 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.979 -2.173 -8.792 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.735 -3.045 -9.695 1.00 0.00 C ATOM 1140 C PRO A 74 -10.879 -4.172 -10.263 1.00 0.00 C ATOM 1141 O PRO A 74 -11.376 -5.044 -10.976 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.181 -2.098 -10.812 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.175 -1.000 -10.802 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.754 -0.836 -9.368 1.00 0.00 C ATOM 0 HA PRO A 74 -12.560 -3.543 -9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.203 -2.606 -11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.186 -1.716 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.321 -1.247 -11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.602 -0.076 -11.191 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.710 -0.534 -9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.346 -0.075 -8.860 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.589 -4.150 -9.942 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.685 -5.176 -10.428 1.00 0.00 C ATOM 1154 C GLY A 75 -8.364 -5.014 -11.901 1.00 0.00 C ATOM 1155 O GLY A 75 -8.049 -5.988 -12.585 1.00 0.00 O ATOM 0 H GLY A 75 -9.154 -3.439 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.760 -5.144 -9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.130 -6.157 -10.262 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.445 -3.782 -12.391 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.163 -3.497 -13.793 1.00 0.00 C ATOM 1161 C ARG A 76 -6.685 -3.708 -14.104 1.00 0.00 C ATOM 1162 O ARG A 76 -6.331 -4.220 -15.167 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.568 -2.061 -14.135 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.070 -1.865 -14.259 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.601 -2.440 -15.562 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.332 -1.562 -16.698 1.00 0.00 N ATOM 1167 CZ ARG A 76 -11.039 -0.470 -16.966 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.051 -0.123 -16.183 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -10.733 0.278 -18.018 1.00 0.00 N ATOM 0 H ARG A 76 -8.704 -2.965 -11.838 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.747 -4.187 -14.403 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.185 -1.391 -13.365 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.094 -1.772 -15.073 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.571 -2.344 -13.418 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.305 -0.802 -14.207 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.145 -3.414 -15.741 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.675 -2.602 -15.476 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.559 -1.801 -17.319 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.288 -0.695 -15.373 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.592 0.716 -16.391 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.954 0.015 -18.622 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.277 1.116 -18.223 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.826 -3.311 -13.171 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.387 -3.457 -13.346 1.00 0.00 C ATOM 1185 C ILE A 77 -3.862 -4.674 -12.590 1.00 0.00 C ATOM 1186 O ILE A 77 -4.392 -5.040 -11.542 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.631 -2.204 -12.866 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -3.951 -1.011 -13.769 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.133 -2.467 -12.838 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.132 -0.193 -13.294 1.00 0.00 C ATOM 0 H ILE A 77 -6.102 -2.886 -12.286 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.211 -3.591 -14.413 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.957 -1.967 -11.853 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.074 -0.367 -13.830 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.152 -1.373 -14.777 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.613 -1.572 -12.497 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.921 -3.292 -12.157 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.790 -2.726 -13.840 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.301 0.636 -13.982 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.021 -0.823 -13.260 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.926 0.199 -12.298 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.818 -5.293 -13.130 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.221 -6.468 -12.506 1.00 0.00 C ATOM 1204 C GLN A 78 -0.709 -6.312 -12.385 1.00 0.00 C ATOM 1205 O GLN A 78 -0.102 -5.490 -13.074 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.553 -7.725 -13.313 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.044 -7.995 -13.432 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.350 -9.210 -14.285 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.923 -9.094 -15.369 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -3.969 -10.386 -13.799 1.00 0.00 N ATOM 0 H GLN A 78 -2.368 -5.001 -13.998 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.639 -6.567 -11.504 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.129 -7.628 -14.312 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.073 -8.584 -12.845 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.464 -8.139 -12.437 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.535 -7.121 -13.861 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.497 -10.436 -12.896 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.148 -11.239 -14.329 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.105 -7.104 -11.506 1.00 0.00 N ATOM 1220 CA LEU A 79 1.337 -7.053 -11.294 1.00 0.00 C ATOM 1221 C LEU A 79 1.994 -8.368 -11.701 1.00 0.00 C ATOM 1222 O LEU A 79 1.689 -9.423 -11.144 1.00 0.00 O ATOM 1223 CB LEU A 79 1.647 -6.747 -9.828 1.00 0.00 C ATOM 1224 CG LEU A 79 1.245 -5.357 -9.333 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.675 -5.160 -7.888 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.847 -4.279 -10.222 1.00 0.00 C ATOM 0 H LEU A 79 -0.592 -7.789 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 79 1.743 -6.257 -11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.145 -7.490 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.718 -6.871 -9.670 1.00 0.00 H new ATOM 0 HG LEU A 79 0.159 -5.275 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.381 -4.165 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.196 -5.911 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.758 -5.262 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.550 -3.297 -9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.934 -4.359 -10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.489 -4.408 -11.243 1.00 0.00 H new ATOM 1238 N TRP A 80 2.897 -8.297 -12.672 1.00 0.00 N ATOM 1239 CA TRP A 80 3.598 -9.483 -13.151 1.00 0.00 C ATOM 1240 C TRP A 80 2.612 -10.568 -13.567 1.00 0.00 C ATOM 1241 O TRP A 80 2.783 -11.739 -13.228 1.00 0.00 O ATOM 1242 CB TRP A 80 4.538 -10.017 -12.069 1.00 0.00 C ATOM 1243 CG TRP A 80 5.334 -8.943 -11.391 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.431 -8.299 -11.887 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.096 -8.391 -10.091 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.889 -7.379 -10.975 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.087 -7.416 -9.865 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.141 -8.624 -9.098 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.148 -6.678 -8.686 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.204 -7.891 -7.928 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.201 -6.926 -7.731 1.00 0.00 C ATOM 0 H TRP A 80 3.161 -7.432 -13.143 1.00 0.00 H new ATOM 0 HA TRP A 80 4.185 -9.199 -14.024 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.953 -10.552 -11.321 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.222 -10.739 -12.516 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.874 -8.485 -12.854 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.695 -6.768 -11.104 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.367 -9.364 -9.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.917 -5.935 -8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.473 -8.065 -7.153 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.222 -6.367 -6.807 1.00 0.00 H new ATOM 1262 N GLY A 81 1.578 -10.172 -14.303 1.00 0.00 N ATOM 1263 CA GLY A 81 0.579 -11.125 -14.752 1.00 0.00 C ATOM 1264 C GLY A 81 -0.217 -11.715 -13.605 1.00 0.00 C ATOM 1265 O GLY A 81 -1.070 -12.578 -13.811 1.00 0.00 O ATOM 0 H GLY A 81 1.414 -9.209 -14.596 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.101 -10.633 -15.447 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.069 -11.929 -15.301 1.00 0.00 H new ATOM 1269 N HIS A 82 0.062 -11.249 -12.391 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.634 -11.737 -11.206 1.00 0.00 C ATOM 1271 C HIS A 82 -1.706 -10.748 -10.760 1.00 0.00 C ATOM 1272 O HIS A 82 -1.454 -9.547 -10.666 1.00 0.00 O ATOM 1273 CB HIS A 82 0.359 -11.979 -10.069 1.00 0.00 C ATOM 1274 CG HIS A 82 1.310 -13.105 -10.333 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.996 -13.761 -9.333 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.687 -13.692 -11.493 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.755 -14.702 -9.866 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.586 -14.681 -11.176 1.00 0.00 N ATOM 0 H HIS A 82 0.765 -10.534 -12.203 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.118 -12.679 -11.461 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.929 -11.066 -9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.194 -12.189 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.345 -13.431 -12.484 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.403 -15.374 -9.323 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.048 -15.299 -11.843 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.901 -11.262 -10.487 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.011 -10.422 -10.052 1.00 0.00 C ATOM 1288 C GLN A 83 -3.717 -9.790 -8.696 1.00 0.00 C ATOM 1289 O GLN A 83 -3.315 -10.475 -7.755 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.300 -11.243 -9.977 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.484 -10.467 -9.424 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.803 -11.184 -9.638 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.427 -11.057 -10.692 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.235 -11.942 -8.637 1.00 0.00 N ATOM 0 H GLN A 83 -3.125 -12.254 -10.559 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.138 -9.624 -10.784 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.548 -11.606 -10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.127 -12.119 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.336 -10.297 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.526 -9.487 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.685 -12.018 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.116 -12.448 -8.724 1.00 0.00 H new ATOM 1303 N ILE A 84 -3.921 -8.480 -8.602 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.678 -7.757 -7.361 1.00 0.00 C ATOM 1305 C ILE A 84 -4.919 -6.987 -6.921 1.00 0.00 C ATOM 1306 O ILE A 84 -5.796 -6.688 -7.731 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.501 -6.773 -7.503 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.743 -5.822 -8.677 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.196 -7.532 -7.689 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.499 -4.569 -8.294 1.00 0.00 C ATOM 0 H ILE A 84 -4.254 -7.898 -9.371 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.429 -8.502 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.428 -6.182 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.783 -5.540 -9.109 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.299 -6.349 -9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.374 -6.823 -7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.021 -8.172 -6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.257 -8.145 -8.588 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.634 -3.942 -9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.474 -4.842 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.934 -4.019 -7.541 1.00 0.00 H new ATOM 1322 N ALA A 85 -4.985 -6.669 -5.633 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.117 -5.930 -5.086 1.00 0.00 C ATOM 1324 C ALA A 85 -5.652 -4.866 -4.098 1.00 0.00 C ATOM 1325 O ALA A 85 -4.669 -5.056 -3.381 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.095 -6.884 -4.415 1.00 0.00 C ATOM 0 H ALA A 85 -4.269 -6.911 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.623 -5.427 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.935 -6.319 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.460 -7.605 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.591 -7.413 -3.606 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.364 -3.744 -4.065 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.024 -2.648 -3.165 1.00 0.00 C ATOM 1334 C VAL A 86 -7.100 -2.457 -2.102 1.00 0.00 C ATOM 1335 O VAL A 86 -8.290 -2.394 -2.413 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.837 -1.327 -3.934 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.572 -1.375 -4.778 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.054 -1.037 -4.799 1.00 0.00 C ATOM 0 H VAL A 86 -7.180 -3.570 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.084 -2.914 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.733 -0.518 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.456 -0.433 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.709 -1.533 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.643 -2.194 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.904 -0.100 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.193 -1.847 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.939 -0.956 -4.167 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.675 -2.364 -0.847 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.602 -2.177 0.263 1.00 0.00 C ATOM 1350 C ASP A 87 -7.019 -1.226 1.303 1.00 0.00 C ATOM 1351 O ASP A 87 -5.816 -0.967 1.317 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.931 -3.523 0.912 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.752 -3.370 2.177 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.895 -2.876 2.086 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.251 -3.743 3.258 1.00 0.00 O ATOM 0 H ASP A 87 -5.694 -2.415 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.519 -1.738 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.477 -4.142 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.004 -4.047 1.145 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.881 -0.708 2.171 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.451 0.216 3.215 1.00 0.00 C ATOM 1362 C TRP A 88 -6.711 -0.522 4.325 1.00 0.00 C ATOM 1363 O TRP A 88 -7.142 -1.586 4.769 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.657 0.958 3.795 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.033 2.181 3.013 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.244 2.447 2.440 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.192 3.302 2.719 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.206 3.666 1.807 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -8.960 4.211 1.963 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -6.867 3.627 3.020 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.443 5.420 1.507 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.357 4.828 2.566 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.143 5.713 1.817 1.00 0.00 C ATOM 0 H TRP A 88 -8.880 -0.912 2.173 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.768 0.939 2.768 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.510 0.280 3.829 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.438 1.246 4.823 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.104 1.795 2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.981 4.096 1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.253 2.952 3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.047 6.103 0.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.334 5.089 2.793 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.715 6.645 1.478 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.597 0.049 4.769 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.799 -0.554 5.829 1.00 0.00 C ATOM 1386 C ALA A 89 -5.308 -0.137 7.204 1.00 0.00 C ATOM 1387 O ALA A 89 -4.525 0.050 8.135 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.334 -0.173 5.669 1.00 0.00 C ATOM 0 H ALA A 89 -5.226 0.929 4.411 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.893 -1.637 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.750 -0.630 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.969 -0.526 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.232 0.911 5.720 1.00 0.00 H new