USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 960 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 13 ASN : amide:sc= -10.6! C(o=-11!,f=-7.1!) USER MOD Single : A 15 ASN : amide:sc= -0.777 K(o=-0.78,f=-1.9) USER MOD Single : A 16 ASN : amide:sc= -2.33 K(o=-2.3,f=-4.3!) USER MOD Single : A 21 THR OG1 : rot 68:sc= -2.04 USER MOD Single : A 31 ASN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0.262 (180deg=0.22) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.338 (180deg=-1.22) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 63 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 64 HIS : no HE2:sc= -21.2! C(o=-21!,f=-19!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -0.273 (180deg=-0.996) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -5.37! K(o=-5.4!,f=-3.8) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.607 USER MOD Single : A 97 LYS NZ :NH3+ -129:sc= -0.244 (180deg=-0.926) USER MOD Single : A 100 GLN : amide:sc= -3.74 K(o=-3.7,f=-7.8!) USER MOD Single : A 105 MET CE :methyl -112:sc=-0.00554 (180deg=-3.84!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 111 ASN : amide:sc= -2.27 K(o=-2.3,f=-0.77) USER MOD Single : A 119 ASN : amide:sc= -9.1! C(o=-9.1!,f=-8.7!) USER MOD Single : A 125 LYS NZ :NH3+ -162:sc= 0.0226 (180deg=-0.442) USER MOD Single : A 127 LYS NZ :NH3+ -140:sc= -0.0424 (180deg=-0.258) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.003 -18.826 -0.808 1.00 0.00 N ATOM 43 CA LYS A 3 -5.264 -17.700 -0.249 1.00 0.00 C ATOM 44 C LYS A 3 -5.375 -16.474 -1.151 1.00 0.00 C ATOM 45 O LYS A 3 -5.648 -16.594 -2.345 1.00 0.00 O ATOM 46 CB LYS A 3 -3.794 -18.073 -0.050 1.00 0.00 C ATOM 47 CG LYS A 3 -3.205 -18.869 -1.205 1.00 0.00 C ATOM 48 CD LYS A 3 -3.112 -20.350 -0.870 1.00 0.00 C ATOM 49 CE LYS A 3 -2.999 -21.198 -2.126 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.518 -22.575 -1.826 1.00 0.00 N ATOM 0 HA LYS A 3 -5.701 -17.456 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.212 -17.162 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.696 -18.654 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.822 -18.734 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.213 -18.486 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.246 -20.526 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.993 -20.652 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.971 -21.252 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.315 -20.719 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.455 -23.121 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.579 -22.526 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.184 -23.042 -1.178 1.00 0.00 H new ATOM 64 N LEU A 4 -5.153 -15.296 -0.575 1.00 0.00 N ATOM 65 CA LEU A 4 -5.217 -14.047 -1.331 1.00 0.00 C ATOM 66 C LEU A 4 -4.203 -13.045 -0.785 1.00 0.00 C ATOM 67 O LEU A 4 -4.246 -12.696 0.394 1.00 0.00 O ATOM 68 CB LEU A 4 -6.627 -13.458 -1.261 1.00 0.00 C ATOM 69 CG LEU A 4 -7.051 -12.954 0.120 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.771 -11.464 0.252 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.524 -13.246 0.368 1.00 0.00 C ATOM 0 H LEU A 4 -4.927 -15.179 0.413 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.975 -14.258 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.695 -12.632 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.338 -14.217 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.466 -13.482 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.079 -11.122 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.705 -11.281 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.329 -10.920 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.806 -12.880 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.127 -12.746 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.695 -14.321 0.317 1.00 0.00 H new ATOM 83 N GLN A 5 -3.273 -12.602 -1.631 1.00 0.00 N ATOM 84 CA GLN A 5 -2.240 -11.667 -1.203 1.00 0.00 C ATOM 85 C GLN A 5 -2.521 -10.235 -1.650 1.00 0.00 C ATOM 86 O GLN A 5 -3.219 -9.993 -2.633 1.00 0.00 O ATOM 87 CB GLN A 5 -0.894 -12.101 -1.773 1.00 0.00 C ATOM 88 CG GLN A 5 -0.566 -13.553 -1.492 1.00 0.00 C ATOM 89 CD GLN A 5 0.892 -13.886 -1.748 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.529 -14.584 -0.959 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.427 -13.384 -2.854 1.00 0.00 N ATOM 0 H GLN A 5 -3.216 -12.876 -2.612 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.229 -11.681 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.894 -11.937 -2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.109 -11.471 -1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.810 -13.782 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.194 -14.190 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.861 -12.810 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.404 -13.572 -3.079 1.00 0.00 H new ATOM 100 N ILE A 6 -1.941 -9.299 -0.912 1.00 0.00 N ATOM 101 CA ILE A 6 -2.060 -7.875 -1.179 1.00 0.00 C ATOM 102 C ILE A 6 -0.750 -7.209 -0.769 1.00 0.00 C ATOM 103 O ILE A 6 -0.192 -7.551 0.272 1.00 0.00 O ATOM 104 CB ILE A 6 -3.236 -7.247 -0.404 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.569 -7.791 -0.926 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.199 -5.730 -0.512 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.194 -8.827 -0.019 1.00 0.00 C ATOM 0 H ILE A 6 -1.365 -9.513 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.258 -7.724 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.140 -7.517 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.266 -6.963 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.413 -8.229 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.037 -5.305 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.263 -5.358 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.271 -5.438 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.135 -9.168 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.516 -9.674 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.382 -8.387 0.960 1.00 0.00 H new ATOM 119 N ALA A 7 -0.265 -6.239 -1.537 1.00 0.00 N ATOM 120 CA ALA A 7 0.957 -5.539 -1.161 1.00 0.00 C ATOM 121 C ALA A 7 0.682 -4.053 -1.175 1.00 0.00 C ATOM 122 O ALA A 7 0.232 -3.546 -2.184 1.00 0.00 O ATOM 123 CB ALA A 7 2.094 -5.886 -2.112 1.00 0.00 C ATOM 0 H ALA A 7 -0.691 -5.924 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 7 1.263 -5.847 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.995 -5.352 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.280 -6.959 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.821 -5.595 -3.127 1.00 0.00 H new ATOM 129 N VAL A 8 0.936 -3.347 -0.083 1.00 0.00 N ATOM 130 CA VAL A 8 0.667 -1.913 -0.063 1.00 0.00 C ATOM 131 C VAL A 8 1.870 -1.117 0.422 1.00 0.00 C ATOM 132 O VAL A 8 2.753 -1.643 1.092 1.00 0.00 O ATOM 133 CB VAL A 8 -0.582 -1.566 0.794 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.275 -2.827 1.295 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.225 -0.653 1.961 1.00 0.00 C ATOM 0 H VAL A 8 1.318 -3.729 0.782 1.00 0.00 H new ATOM 0 HA VAL A 8 0.461 -1.628 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.276 -1.028 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.145 -2.552 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.594 -3.429 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.582 -3.404 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.123 -0.432 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.504 -1.149 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.199 0.276 1.580 1.00 0.00 H new ATOM 145 N GLY A 9 1.896 0.159 0.064 1.00 0.00 N ATOM 146 CA GLY A 9 2.991 1.008 0.465 1.00 0.00 C ATOM 147 C GLY A 9 2.596 2.464 0.605 1.00 0.00 C ATOM 148 O GLY A 9 1.680 2.940 -0.064 1.00 0.00 O ATOM 0 H GLY A 9 1.178 0.618 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.388 0.653 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.794 0.925 -0.267 1.00 0.00 H new ATOM 152 N ILE A 10 3.331 3.174 1.448 1.00 0.00 N ATOM 153 CA ILE A 10 3.113 4.593 1.660 1.00 0.00 C ATOM 154 C ILE A 10 4.198 5.347 0.906 1.00 0.00 C ATOM 155 O ILE A 10 5.377 5.094 1.122 1.00 0.00 O ATOM 156 CB ILE A 10 3.149 4.973 3.162 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.691 3.824 4.018 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.766 5.379 3.649 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.190 3.670 3.927 1.00 0.00 C ATOM 0 H ILE A 10 4.093 2.782 2.002 1.00 0.00 H new ATOM 0 HA ILE A 10 2.121 4.858 1.294 1.00 0.00 H new ATOM 0 HB ILE A 10 3.824 5.823 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.412 3.992 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.217 2.893 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.815 5.642 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.417 6.239 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.074 4.548 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.509 2.839 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.473 3.472 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.671 4.588 4.266 1.00 0.00 H new ATOM 171 N ILE A 11 3.810 6.248 0.006 1.00 0.00 N ATOM 172 CA ILE A 11 4.792 6.986 -0.788 1.00 0.00 C ATOM 173 C ILE A 11 5.393 8.166 -0.038 1.00 0.00 C ATOM 174 O ILE A 11 4.728 9.157 0.232 1.00 0.00 O ATOM 175 CB ILE A 11 4.202 7.497 -2.116 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.129 6.538 -2.642 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.319 7.674 -3.137 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.968 6.576 -4.145 1.00 0.00 C ATOM 0 H ILE A 11 2.837 6.483 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 11 5.582 6.264 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 11 3.725 8.462 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.381 5.522 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.174 6.783 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.900 8.036 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.044 8.396 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.813 6.717 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.192 5.872 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.686 7.582 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.910 6.301 -4.619 1.00 0.00 H new ATOM 190 N ARG A 12 6.669 8.049 0.275 1.00 0.00 N ATOM 191 CA ARG A 12 7.368 9.105 0.995 1.00 0.00 C ATOM 192 C ARG A 12 7.759 10.210 0.033 1.00 0.00 C ATOM 193 O ARG A 12 7.997 9.960 -1.147 1.00 0.00 O ATOM 194 CB ARG A 12 8.610 8.562 1.701 1.00 0.00 C ATOM 195 CG ARG A 12 8.418 8.397 3.197 1.00 0.00 C ATOM 196 CD ARG A 12 9.561 9.016 3.988 1.00 0.00 C ATOM 197 NE ARG A 12 9.901 10.356 3.514 1.00 0.00 N ATOM 198 CZ ARG A 12 11.038 10.980 3.816 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.944 10.389 4.585 1.00 0.00 N ATOM 200 NH2 ARG A 12 11.271 12.198 3.346 1.00 0.00 N ATOM 0 H ARG A 12 7.244 7.238 0.045 1.00 0.00 H new ATOM 0 HA ARG A 12 6.696 9.505 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.876 7.599 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.448 9.236 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.478 8.860 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.342 7.337 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.286 9.064 5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.439 8.374 3.917 1.00 0.00 H new ATOM 0 HE ARG A 12 9.230 10.841 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.771 9.452 4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.813 10.872 4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.579 12.657 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.142 12.676 3.577 1.00 0.00 H new ATOM 214 N ASN A 13 7.830 11.435 0.545 1.00 0.00 N ATOM 215 CA ASN A 13 8.189 12.580 -0.284 1.00 0.00 C ATOM 216 C ASN A 13 9.345 13.388 0.286 1.00 0.00 C ATOM 217 O ASN A 13 9.994 13.006 1.260 1.00 0.00 O ATOM 218 CB ASN A 13 6.993 13.506 -0.482 1.00 0.00 C ATOM 219 CG ASN A 13 6.924 14.110 -1.876 1.00 0.00 C ATOM 220 OD1 ASN A 13 6.537 15.267 -2.039 1.00 0.00 O ATOM 221 ND2 ASN A 13 7.297 13.335 -2.888 1.00 0.00 N ATOM 0 H ASN A 13 7.645 11.659 1.523 1.00 0.00 H new ATOM 0 HA ASN A 13 8.507 12.165 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.076 12.950 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.039 14.310 0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.269 13.694 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.612 12.381 -2.711 1.00 0.00 H new ATOM 228 N GLU A 14 9.583 14.507 -0.375 1.00 0.00 N ATOM 229 CA GLU A 14 10.651 15.433 -0.029 1.00 0.00 C ATOM 230 C GLU A 14 10.552 15.904 1.411 1.00 0.00 C ATOM 231 O GLU A 14 11.495 15.779 2.193 1.00 0.00 O ATOM 232 CB GLU A 14 10.596 16.637 -0.974 1.00 0.00 C ATOM 233 CG GLU A 14 11.548 17.763 -0.600 1.00 0.00 C ATOM 234 CD GLU A 14 10.825 19.016 -0.148 1.00 0.00 C ATOM 235 OE1 GLU A 14 10.219 19.694 -1.006 1.00 0.00 O ATOM 236 OE2 GLU A 14 10.863 19.321 1.061 1.00 0.00 O ATOM 0 H GLU A 14 9.032 14.804 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 14 11.601 14.910 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.826 16.302 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.578 17.026 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.210 17.424 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.177 18.001 -1.458 1.00 0.00 H new ATOM 243 N ASN A 15 9.412 16.466 1.733 1.00 0.00 N ATOM 244 CA ASN A 15 9.160 17.000 3.068 1.00 0.00 C ATOM 245 C ASN A 15 8.936 15.896 4.104 1.00 0.00 C ATOM 246 O ASN A 15 8.789 16.185 5.292 1.00 0.00 O ATOM 247 CB ASN A 15 7.957 17.946 3.038 1.00 0.00 C ATOM 248 CG ASN A 15 7.638 18.528 4.402 1.00 0.00 C ATOM 249 OD1 ASN A 15 8.528 18.727 5.229 1.00 0.00 O ATOM 250 ND2 ASN A 15 6.362 18.806 4.643 1.00 0.00 N ATOM 0 H ASN A 15 8.630 16.570 1.087 1.00 0.00 H new ATOM 0 HA ASN A 15 10.051 17.550 3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.155 18.758 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.086 17.408 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.087 19.201 5.543 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.657 18.625 3.929 1.00 0.00 H new ATOM 257 N ASN A 16 8.887 14.640 3.652 1.00 0.00 N ATOM 258 CA ASN A 16 8.658 13.494 4.542 1.00 0.00 C ATOM 259 C ASN A 16 7.164 13.242 4.728 1.00 0.00 C ATOM 260 O ASN A 16 6.758 12.445 5.576 1.00 0.00 O ATOM 261 CB ASN A 16 9.337 13.687 5.899 1.00 0.00 C ATOM 262 CG ASN A 16 10.113 12.459 6.336 1.00 0.00 C ATOM 263 OD1 ASN A 16 11.340 12.420 6.240 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.399 11.448 6.818 1.00 0.00 N ATOM 0 H ASN A 16 9.003 14.388 2.670 1.00 0.00 H new ATOM 0 HA ASN A 16 9.105 12.620 4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.013 14.541 5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.583 13.923 6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.866 10.595 7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.384 11.524 6.879 1.00 0.00 H new ATOM 271 N GLU A 17 6.352 13.895 3.902 1.00 0.00 N ATOM 272 CA GLU A 17 4.910 13.712 3.942 1.00 0.00 C ATOM 273 C GLU A 17 4.512 12.790 2.804 1.00 0.00 C ATOM 274 O GLU A 17 4.921 12.992 1.661 1.00 0.00 O ATOM 275 CB GLU A 17 4.182 15.051 3.827 1.00 0.00 C ATOM 276 CG GLU A 17 4.693 15.922 2.694 1.00 0.00 C ATOM 277 CD GLU A 17 3.907 17.211 2.544 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.893 17.374 3.254 1.00 0.00 O ATOM 279 OE2 GLU A 17 4.305 18.055 1.715 1.00 0.00 O ATOM 0 H GLU A 17 6.672 14.557 3.195 1.00 0.00 H new ATOM 0 HA GLU A 17 4.626 13.270 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.118 14.866 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.285 15.594 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.742 16.160 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.645 15.361 1.760 1.00 0.00 H new ATOM 286 N ILE A 18 3.795 11.728 3.128 1.00 0.00 N ATOM 287 CA ILE A 18 3.451 10.730 2.124 1.00 0.00 C ATOM 288 C ILE A 18 2.012 10.840 1.637 1.00 0.00 C ATOM 289 O ILE A 18 1.055 10.701 2.400 1.00 0.00 O ATOM 290 CB ILE A 18 3.718 9.300 2.673 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.984 8.224 1.855 1.00 0.00 C ATOM 292 CG2 ILE A 18 3.340 9.203 4.143 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.514 8.104 2.159 1.00 0.00 C ATOM 0 H ILE A 18 3.442 11.533 4.065 1.00 0.00 H new ATOM 0 HA ILE A 18 4.091 10.924 1.263 1.00 0.00 H new ATOM 0 HB ILE A 18 4.788 9.114 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.106 8.445 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.460 7.260 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.536 8.193 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.932 9.915 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.281 9.431 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.077 7.323 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.379 7.850 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.020 9.053 1.949 1.00 0.00 H new ATOM 305 N PHE A 19 1.894 11.112 0.338 1.00 0.00 N ATOM 306 CA PHE A 19 0.608 11.268 -0.321 1.00 0.00 C ATOM 307 C PHE A 19 -0.232 9.991 -0.225 1.00 0.00 C ATOM 308 O PHE A 19 0.001 9.015 -0.938 1.00 0.00 O ATOM 309 CB PHE A 19 0.828 11.673 -1.794 1.00 0.00 C ATOM 310 CG PHE A 19 0.329 10.675 -2.806 1.00 0.00 C ATOM 311 CD1 PHE A 19 -1.028 10.520 -3.035 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.218 9.890 -3.522 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.490 9.602 -3.958 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.763 8.971 -4.446 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.594 8.826 -4.665 1.00 0.00 C ATOM 0 H PHE A 19 2.693 11.230 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 19 0.052 12.056 0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.332 12.628 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.894 11.832 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.734 11.125 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.280 9.998 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.551 9.492 -4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.467 8.366 -4.998 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.952 8.107 -5.387 1.00 0.00 H new ATOM 325 N ILE A 20 -1.214 10.014 0.662 1.00 0.00 N ATOM 326 CA ILE A 20 -2.098 8.882 0.846 1.00 0.00 C ATOM 327 C ILE A 20 -3.436 9.165 0.171 1.00 0.00 C ATOM 328 O ILE A 20 -3.988 10.257 0.311 1.00 0.00 O ATOM 329 CB ILE A 20 -2.331 8.566 2.340 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.973 9.761 3.224 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.528 7.344 2.760 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.299 9.551 4.687 1.00 0.00 C ATOM 0 H ILE A 20 -1.417 10.810 1.267 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.622 8.012 0.393 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.392 8.353 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.908 9.970 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.506 10.641 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.705 7.137 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.836 6.484 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.467 7.534 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.018 10.439 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.368 9.372 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.746 8.691 5.063 1.00 0.00 H new ATOM 344 N THR A 21 -3.952 8.192 -0.570 1.00 0.00 N ATOM 345 CA THR A 21 -5.220 8.370 -1.267 1.00 0.00 C ATOM 346 C THR A 21 -6.372 8.415 -0.276 1.00 0.00 C ATOM 347 O THR A 21 -6.684 7.416 0.365 1.00 0.00 O ATOM 348 CB THR A 21 -5.446 7.241 -2.275 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.783 7.250 -2.745 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.175 5.864 -1.710 1.00 0.00 C ATOM 0 H THR A 21 -3.517 7.279 -0.703 1.00 0.00 H new ATOM 0 HA THR A 21 -5.179 9.317 -1.805 1.00 0.00 H new ATOM 0 HB THR A 21 -4.737 7.432 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.933 8.051 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.355 5.113 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.138 5.804 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.836 5.682 -0.863 1.00 0.00 H new ATOM 358 N ARG A 22 -6.994 9.585 -0.147 1.00 0.00 N ATOM 359 CA ARG A 22 -8.105 9.759 0.780 1.00 0.00 C ATOM 360 C ARG A 22 -9.311 10.402 0.096 1.00 0.00 C ATOM 361 O ARG A 22 -9.170 11.356 -0.668 1.00 0.00 O ATOM 362 CB ARG A 22 -7.665 10.610 1.976 1.00 0.00 C ATOM 363 CG ARG A 22 -7.468 12.083 1.654 1.00 0.00 C ATOM 364 CD ARG A 22 -7.391 12.923 2.920 1.00 0.00 C ATOM 365 NE ARG A 22 -6.742 14.211 2.686 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.289 15.201 1.986 1.00 0.00 C ATOM 367 NH1 ARG A 22 -8.498 15.060 1.455 1.00 0.00 N ATOM 368 NH2 ARG A 22 -6.629 16.339 1.818 1.00 0.00 N ATOM 0 H ARG A 22 -6.747 10.424 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.405 8.771 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.410 10.519 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.732 10.208 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.554 12.211 1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.291 12.434 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.397 13.089 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.842 12.375 3.686 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.814 14.360 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.013 14.189 1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.912 15.823 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.701 16.455 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.049 17.098 1.281 1.00 0.00 H new ATOM 493 N ASN A 31 -13.897 6.495 2.816 1.00 0.00 N ATOM 494 CA ASN A 31 -13.263 5.403 3.548 1.00 0.00 C ATOM 495 C ASN A 31 -12.197 4.718 2.697 1.00 0.00 C ATOM 496 O ASN A 31 -11.956 3.518 2.837 1.00 0.00 O ATOM 497 CB ASN A 31 -14.316 4.385 3.995 1.00 0.00 C ATOM 498 CG ASN A 31 -14.471 4.336 5.502 1.00 0.00 C ATOM 499 OD1 ASN A 31 -15.497 4.745 6.045 1.00 0.00 O ATOM 500 ND2 ASN A 31 -13.449 3.836 6.186 1.00 0.00 N ATOM 0 HA ASN A 31 -12.777 5.822 4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.275 4.636 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.040 3.396 3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.495 3.779 7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.618 3.508 5.694 1.00 0.00 H new ATOM 507 N LYS A 32 -11.562 5.483 1.815 1.00 0.00 N ATOM 508 CA LYS A 32 -10.523 4.942 0.944 1.00 0.00 C ATOM 509 C LYS A 32 -9.161 5.538 1.272 1.00 0.00 C ATOM 510 O LYS A 32 -8.277 5.602 0.419 1.00 0.00 O ATOM 511 CB LYS A 32 -10.872 5.182 -0.527 1.00 0.00 C ATOM 512 CG LYS A 32 -11.192 3.908 -1.291 1.00 0.00 C ATOM 513 CD LYS A 32 -10.949 4.077 -2.782 1.00 0.00 C ATOM 514 CE LYS A 32 -10.858 2.733 -3.488 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.512 2.114 -3.334 1.00 0.00 N ATOM 0 H LYS A 32 -11.748 6.477 1.684 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.470 3.867 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.728 5.855 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.037 5.687 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.578 3.091 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.232 3.631 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.756 4.665 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.026 4.635 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.615 2.060 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.078 2.864 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.543 1.128 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.819 2.646 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.233 2.135 -2.332 1.00 0.00 H new ATOM 529 N LEU A 33 -9.005 5.966 2.514 1.00 0.00 N ATOM 530 CA LEU A 33 -7.753 6.561 2.983 1.00 0.00 C ATOM 531 C LEU A 33 -6.657 5.502 3.120 1.00 0.00 C ATOM 532 O LEU A 33 -6.073 5.338 4.193 1.00 0.00 O ATOM 533 CB LEU A 33 -7.979 7.252 4.329 1.00 0.00 C ATOM 534 CG LEU A 33 -7.034 8.414 4.634 1.00 0.00 C ATOM 535 CD1 LEU A 33 -7.334 9.000 6.006 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.583 7.966 4.552 1.00 0.00 C ATOM 0 H LEU A 33 -9.734 5.914 3.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.427 7.295 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.004 7.621 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.882 6.509 5.121 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.194 9.189 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.651 9.826 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.361 9.364 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.205 8.230 6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.929 8.809 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.406 7.171 5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.372 7.596 3.548 1.00 0.00 H new ATOM 548 N GLU A 34 -6.382 4.783 2.037 1.00 0.00 N ATOM 549 CA GLU A 34 -5.362 3.737 2.057 1.00 0.00 C ATOM 550 C GLU A 34 -4.181 4.098 1.161 1.00 0.00 C ATOM 551 O GLU A 34 -4.079 5.223 0.675 1.00 0.00 O ATOM 552 CB GLU A 34 -5.975 2.386 1.650 1.00 0.00 C ATOM 553 CG GLU A 34 -5.749 1.993 0.196 1.00 0.00 C ATOM 554 CD GLU A 34 -6.900 1.189 -0.376 1.00 0.00 C ATOM 555 OE1 GLU A 34 -7.952 1.791 -0.680 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.751 -0.042 -0.520 1.00 0.00 O ATOM 0 H GLU A 34 -6.848 4.903 1.138 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.983 3.650 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.561 1.607 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.048 2.418 1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.607 2.893 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.831 1.411 0.119 1.00 0.00 H new ATOM 563 N PHE A 35 -3.278 3.141 0.962 1.00 0.00 N ATOM 564 CA PHE A 35 -2.095 3.371 0.138 1.00 0.00 C ATOM 565 C PHE A 35 -2.041 2.421 -1.064 1.00 0.00 C ATOM 566 O PHE A 35 -2.662 1.358 -1.061 1.00 0.00 O ATOM 567 CB PHE A 35 -0.818 3.215 0.978 1.00 0.00 C ATOM 568 CG PHE A 35 -1.028 3.338 2.464 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.808 4.357 2.985 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.442 2.437 3.338 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.001 4.474 4.349 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.628 2.550 4.702 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.410 3.570 5.208 1.00 0.00 C ATOM 0 H PHE A 35 -3.342 2.203 1.358 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.160 4.391 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.376 2.242 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.097 3.969 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.271 5.069 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.168 1.636 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.614 5.272 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.163 1.842 5.372 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.559 3.660 6.274 1.00 0.00 H new ATOM 583 N PRO A 36 -1.261 2.794 -2.098 1.00 0.00 N ATOM 584 CA PRO A 36 -1.066 1.990 -3.314 1.00 0.00 C ATOM 585 C PRO A 36 -0.752 0.532 -2.992 1.00 0.00 C ATOM 586 O PRO A 36 -0.477 0.198 -1.841 1.00 0.00 O ATOM 587 CB PRO A 36 0.135 2.653 -4.011 1.00 0.00 C ATOM 588 CG PRO A 36 0.685 3.632 -3.026 1.00 0.00 C ATOM 589 CD PRO A 36 -0.468 4.029 -2.153 1.00 0.00 C ATOM 0 HA PRO A 36 -1.965 1.967 -3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.885 1.912 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.172 3.153 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.485 3.185 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.108 4.499 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.138 4.345 -1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.034 4.857 -2.579 1.00 0.00 H new ATOM 597 N GLY A 37 -0.789 -0.337 -4.005 1.00 0.00 N ATOM 598 CA GLY A 37 -0.498 -1.738 -3.764 1.00 0.00 C ATOM 599 C GLY A 37 -1.720 -2.634 -3.706 1.00 0.00 C ATOM 600 O GLY A 37 -1.996 -3.289 -2.701 1.00 0.00 O ATOM 0 H GLY A 37 -1.012 -0.098 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.164 -2.099 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.046 -1.826 -2.824 1.00 0.00 H new ATOM 604 N GLY A 38 -2.435 -2.656 -4.804 1.00 0.00 N ATOM 605 CA GLY A 38 -3.630 -3.470 -4.929 1.00 0.00 C ATOM 606 C GLY A 38 -3.630 -4.297 -6.208 1.00 0.00 C ATOM 607 O GLY A 38 -3.767 -3.737 -7.296 1.00 0.00 O ATOM 0 H GLY A 38 -2.210 -2.113 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.707 -4.135 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.510 -2.826 -4.914 1.00 0.00 H new ATOM 611 N LYS A 39 -3.478 -5.630 -6.075 1.00 0.00 N ATOM 612 CA LYS A 39 -3.462 -6.556 -7.218 1.00 0.00 C ATOM 613 C LYS A 39 -2.069 -7.142 -7.449 1.00 0.00 C ATOM 614 O LYS A 39 -1.767 -7.629 -8.538 1.00 0.00 O ATOM 615 CB LYS A 39 -3.951 -5.893 -8.511 1.00 0.00 C ATOM 616 CG LYS A 39 -4.072 -6.863 -9.675 1.00 0.00 C ATOM 617 CD LYS A 39 -5.316 -6.589 -10.507 1.00 0.00 C ATOM 618 CE LYS A 39 -6.390 -7.639 -10.269 1.00 0.00 C ATOM 619 NZ LYS A 39 -7.102 -7.424 -8.980 1.00 0.00 N ATOM 0 H LYS A 39 -3.363 -6.091 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.151 -7.360 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.921 -5.431 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.263 -5.093 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.187 -6.786 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.105 -7.884 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.709 -5.603 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.051 -6.572 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.108 -7.615 -11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.936 -8.630 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.826 -8.161 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.421 -7.472 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.557 -6.489 -8.987 1.00 0.00 H new ATOM 633 N ILE A 40 -1.226 -7.114 -6.423 1.00 0.00 N ATOM 634 CA ILE A 40 0.121 -7.669 -6.545 1.00 0.00 C ATOM 635 C ILE A 40 0.052 -9.184 -6.598 1.00 0.00 C ATOM 636 O ILE A 40 0.844 -9.844 -7.270 1.00 0.00 O ATOM 637 CB ILE A 40 1.062 -7.217 -5.397 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.191 -8.289 -4.296 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.581 -5.900 -4.812 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.607 -8.468 -3.790 1.00 0.00 C ATOM 0 H ILE A 40 -1.445 -6.719 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 40 0.545 -7.284 -7.472 1.00 0.00 H new ATOM 0 HB ILE A 40 2.056 -7.075 -5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.546 -8.019 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.829 -9.241 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.249 -5.594 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.576 -5.137 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.428 -6.024 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.623 -9.237 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.253 -8.769 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.966 -7.527 -3.373 1.00 0.00 H new ATOM 652 N GLU A 41 -0.914 -9.710 -5.867 1.00 0.00 N ATOM 653 CA GLU A 41 -1.147 -11.143 -5.776 1.00 0.00 C ATOM 654 C GLU A 41 -1.025 -11.814 -7.142 1.00 0.00 C ATOM 655 O GLU A 41 0.031 -12.343 -7.487 1.00 0.00 O ATOM 656 CB GLU A 41 -2.529 -11.404 -5.169 1.00 0.00 C ATOM 657 CG GLU A 41 -3.582 -10.372 -5.569 1.00 0.00 C ATOM 658 CD GLU A 41 -4.847 -11.006 -6.116 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.754 -11.310 -5.313 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.930 -11.198 -7.347 1.00 0.00 O ATOM 0 H GLU A 41 -1.565 -9.152 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.384 -11.576 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.869 -12.394 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.442 -11.418 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.833 -9.761 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.162 -9.703 -6.320 1.00 0.00 H new ATOM 667 N MET A 42 -2.109 -11.783 -7.916 1.00 0.00 N ATOM 668 CA MET A 42 -2.127 -12.383 -9.250 1.00 0.00 C ATOM 669 C MET A 42 -1.429 -13.748 -9.263 1.00 0.00 C ATOM 670 O MET A 42 -2.054 -14.775 -9.000 1.00 0.00 O ATOM 671 CB MET A 42 -1.469 -11.441 -10.263 1.00 0.00 C ATOM 672 CG MET A 42 -2.453 -10.545 -10.992 1.00 0.00 C ATOM 673 SD MET A 42 -3.678 -11.476 -11.933 1.00 0.00 S ATOM 674 CE MET A 42 -2.648 -12.732 -12.686 1.00 0.00 C ATOM 0 H MET A 42 -2.989 -11.347 -7.641 1.00 0.00 H new ATOM 0 HA MET A 42 -3.168 -12.539 -9.531 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.739 -10.819 -9.746 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.921 -12.034 -10.995 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.963 -9.909 -10.269 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.907 -9.886 -11.667 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.183 -13.191 -13.518 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.728 -12.276 -13.053 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.405 -13.495 -11.946 1.00 0.00 H new ATOM 684 N GLY A 43 -0.132 -13.751 -9.569 1.00 0.00 N ATOM 685 CA GLY A 43 0.618 -14.994 -9.609 1.00 0.00 C ATOM 686 C GLY A 43 2.115 -14.781 -9.701 1.00 0.00 C ATOM 687 O GLY A 43 2.845 -15.644 -10.188 1.00 0.00 O ATOM 0 H GLY A 43 0.410 -12.916 -9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.394 -15.576 -8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.288 -15.584 -10.464 1.00 0.00 H new ATOM 691 N GLU A 44 2.569 -13.630 -9.236 1.00 0.00 N ATOM 692 CA GLU A 44 3.988 -13.295 -9.266 1.00 0.00 C ATOM 693 C GLU A 44 4.689 -13.800 -8.004 1.00 0.00 C ATOM 694 O GLU A 44 4.143 -14.631 -7.279 1.00 0.00 O ATOM 695 CB GLU A 44 4.160 -11.781 -9.410 1.00 0.00 C ATOM 696 CG GLU A 44 4.517 -11.346 -10.820 1.00 0.00 C ATOM 697 CD GLU A 44 3.307 -11.272 -11.732 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.638 -10.217 -11.745 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.029 -12.268 -12.431 1.00 0.00 O ATOM 0 H GLU A 44 1.975 -12.907 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 44 4.447 -13.785 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.236 -11.288 -9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.939 -11.445 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.000 -10.370 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.241 -12.044 -11.239 1.00 0.00 H new ATOM 706 N THR A 45 5.891 -13.292 -7.737 1.00 0.00 N ATOM 707 CA THR A 45 6.637 -13.696 -6.555 1.00 0.00 C ATOM 708 C THR A 45 6.438 -12.672 -5.445 1.00 0.00 C ATOM 709 O THR A 45 6.061 -11.531 -5.714 1.00 0.00 O ATOM 710 CB THR A 45 8.127 -13.838 -6.889 1.00 0.00 C ATOM 711 OG1 THR A 45 8.354 -13.637 -8.274 1.00 0.00 O ATOM 712 CG2 THR A 45 8.701 -15.190 -6.527 1.00 0.00 C ATOM 0 H THR A 45 6.364 -12.603 -8.322 1.00 0.00 H new ATOM 0 HA THR A 45 6.267 -14.663 -6.215 1.00 0.00 H new ATOM 0 HB THR A 45 8.626 -13.077 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.311 -13.730 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.758 -15.219 -6.791 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.590 -15.357 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.169 -15.969 -7.073 1.00 0.00 H new ATOM 720 N PRO A 46 6.689 -13.050 -4.180 1.00 0.00 N ATOM 721 CA PRO A 46 6.535 -12.148 -3.042 1.00 0.00 C ATOM 722 C PRO A 46 7.107 -10.761 -3.326 1.00 0.00 C ATOM 723 O PRO A 46 6.657 -9.766 -2.759 1.00 0.00 O ATOM 724 CB PRO A 46 7.323 -12.841 -1.915 1.00 0.00 C ATOM 725 CG PRO A 46 7.966 -14.040 -2.538 1.00 0.00 C ATOM 726 CD PRO A 46 7.142 -14.372 -3.746 1.00 0.00 C ATOM 0 HA PRO A 46 5.487 -11.980 -2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.073 -12.171 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.662 -13.133 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.998 -13.828 -2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.989 -14.877 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.729 -14.874 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.307 -15.029 -3.502 1.00 0.00 H new ATOM 734 N GLU A 47 8.101 -10.705 -4.207 1.00 0.00 N ATOM 735 CA GLU A 47 8.732 -9.442 -4.565 1.00 0.00 C ATOM 736 C GLU A 47 8.279 -8.955 -5.943 1.00 0.00 C ATOM 737 O GLU A 47 7.916 -7.792 -6.104 1.00 0.00 O ATOM 738 CB GLU A 47 10.256 -9.588 -4.538 1.00 0.00 C ATOM 739 CG GLU A 47 10.916 -8.853 -3.384 1.00 0.00 C ATOM 740 CD GLU A 47 12.129 -9.585 -2.843 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.894 -10.146 -3.655 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.313 -9.597 -1.608 1.00 0.00 O ATOM 0 H GLU A 47 8.486 -11.520 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 47 8.425 -8.698 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.510 -10.646 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.665 -9.215 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.214 -7.858 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.190 -8.718 -2.582 1.00 0.00 H new ATOM 749 N GLN A 48 8.314 -9.842 -6.938 1.00 0.00 N ATOM 750 CA GLN A 48 7.924 -9.480 -8.301 1.00 0.00 C ATOM 751 C GLN A 48 6.420 -9.255 -8.431 1.00 0.00 C ATOM 752 O GLN A 48 5.943 -8.845 -9.489 1.00 0.00 O ATOM 753 CB GLN A 48 8.373 -10.562 -9.285 1.00 0.00 C ATOM 754 CG GLN A 48 9.861 -10.522 -9.595 1.00 0.00 C ATOM 755 CD GLN A 48 10.192 -9.580 -10.737 1.00 0.00 C ATOM 756 OE1 GLN A 48 9.795 -9.806 -11.879 1.00 0.00 O ATOM 757 NE2 GLN A 48 10.925 -8.515 -10.430 1.00 0.00 N ATOM 0 H GLN A 48 8.607 -10.813 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 48 8.420 -8.539 -8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.122 -11.541 -8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.814 -10.452 -10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.406 -10.212 -8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.204 -11.526 -9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.233 -8.367 -9.469 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.180 -7.845 -11.156 1.00 0.00 H new ATOM 766 N ALA A 49 5.677 -9.503 -7.360 1.00 0.00 N ATOM 767 CA ALA A 49 4.237 -9.301 -7.383 1.00 0.00 C ATOM 768 C ALA A 49 3.908 -7.832 -7.168 1.00 0.00 C ATOM 769 O ALA A 49 3.122 -7.242 -7.911 1.00 0.00 O ATOM 770 CB ALA A 49 3.564 -10.159 -6.322 1.00 0.00 C ATOM 0 H ALA A 49 6.046 -9.842 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 49 3.858 -9.602 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.487 -9.996 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.778 -11.210 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.945 -9.886 -5.338 1.00 0.00 H new ATOM 776 N VAL A 50 4.538 -7.242 -6.160 1.00 0.00 N ATOM 777 CA VAL A 50 4.336 -5.833 -5.862 1.00 0.00 C ATOM 778 C VAL A 50 5.152 -4.946 -6.794 1.00 0.00 C ATOM 779 O VAL A 50 4.702 -3.876 -7.189 1.00 0.00 O ATOM 780 CB VAL A 50 4.677 -5.482 -4.399 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.003 -6.097 -3.980 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.697 -3.970 -4.213 1.00 0.00 C ATOM 0 H VAL A 50 5.191 -7.717 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 50 3.274 -5.644 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 50 3.903 -5.902 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.216 -5.832 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.946 -7.182 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.798 -5.719 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.939 -3.734 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.449 -3.533 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.718 -3.560 -4.459 1.00 0.00 H new ATOM 792 N VAL A 51 6.358 -5.386 -7.134 1.00 0.00 N ATOM 793 CA VAL A 51 7.227 -4.606 -8.007 1.00 0.00 C ATOM 794 C VAL A 51 6.500 -4.189 -9.280 1.00 0.00 C ATOM 795 O VAL A 51 6.722 -3.096 -9.799 1.00 0.00 O ATOM 796 CB VAL A 51 8.514 -5.378 -8.374 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.396 -4.554 -9.304 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.280 -5.762 -7.116 1.00 0.00 C ATOM 0 H VAL A 51 6.754 -6.272 -6.821 1.00 0.00 H new ATOM 0 HA VAL A 51 7.509 -3.712 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 51 8.226 -6.289 -8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.296 -5.119 -9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.849 -4.330 -10.220 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.675 -3.623 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.184 -6.305 -7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.552 -4.861 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.654 -6.395 -6.488 1.00 0.00 H new ATOM 808 N ARG A 52 5.629 -5.061 -9.783 1.00 0.00 N ATOM 809 CA ARG A 52 4.881 -4.763 -10.998 1.00 0.00 C ATOM 810 C ARG A 52 3.712 -3.824 -10.713 1.00 0.00 C ATOM 811 O ARG A 52 3.332 -3.012 -11.557 1.00 0.00 O ATOM 812 CB ARG A 52 4.376 -6.053 -11.647 1.00 0.00 C ATOM 813 CG ARG A 52 3.601 -5.824 -12.936 1.00 0.00 C ATOM 814 CD ARG A 52 4.150 -6.666 -14.077 1.00 0.00 C ATOM 815 NE ARG A 52 3.655 -8.039 -14.031 1.00 0.00 N ATOM 816 CZ ARG A 52 4.028 -8.990 -14.884 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.898 -8.722 -15.850 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.530 -10.214 -14.771 1.00 0.00 N ATOM 0 H ARG A 52 5.426 -5.972 -9.371 1.00 0.00 H new ATOM 0 HA ARG A 52 5.557 -4.261 -11.690 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.227 -6.702 -11.855 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.738 -6.581 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.550 -6.066 -12.777 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.647 -4.769 -13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.873 -6.212 -15.028 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.239 -6.672 -14.032 1.00 0.00 H new ATOM 0 HE ARG A 52 2.984 -8.283 -13.303 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.285 -7.783 -15.942 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.180 -9.455 -16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.861 -10.426 -14.031 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.816 -10.943 -15.425 1.00 0.00 H new ATOM 832 N GLU A 53 3.182 -3.910 -9.503 1.00 0.00 N ATOM 833 CA GLU A 53 2.094 -3.037 -9.086 1.00 0.00 C ATOM 834 C GLU A 53 2.671 -1.677 -8.712 1.00 0.00 C ATOM 835 O GLU A 53 2.064 -0.637 -8.934 1.00 0.00 O ATOM 836 CB GLU A 53 1.338 -3.646 -7.904 1.00 0.00 C ATOM 837 CG GLU A 53 0.589 -4.922 -8.256 1.00 0.00 C ATOM 838 CD GLU A 53 -0.305 -4.759 -9.469 1.00 0.00 C ATOM 839 OE1 GLU A 53 -1.354 -4.091 -9.347 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.043 -5.300 -10.541 1.00 0.00 O ATOM 0 H GLU A 53 3.487 -4.575 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 53 1.386 -2.919 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.044 -3.858 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.629 -2.913 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.307 -5.720 -8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.015 -5.231 -7.403 1.00 0.00 H new ATOM 847 N LEU A 54 3.842 -1.732 -8.091 1.00 0.00 N ATOM 848 CA LEU A 54 4.510 -0.530 -7.618 1.00 0.00 C ATOM 849 C LEU A 54 4.509 0.502 -8.733 1.00 0.00 C ATOM 850 O LEU A 54 4.139 1.658 -8.526 1.00 0.00 O ATOM 851 CB LEU A 54 5.942 -0.855 -7.203 1.00 0.00 C ATOM 852 CG LEU A 54 6.433 -0.106 -5.974 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.078 -0.871 -4.709 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.928 0.137 -6.067 1.00 0.00 C ATOM 0 H LEU A 54 4.348 -2.598 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 54 3.983 -0.133 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.017 -1.926 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.607 -0.632 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 54 5.936 0.863 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.437 -0.321 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.996 -0.986 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.547 -1.855 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.265 0.674 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.449 -0.818 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.146 0.730 -6.955 1.00 0.00 H new ATOM 866 N GLN A 55 4.906 0.072 -9.919 1.00 0.00 N ATOM 867 CA GLN A 55 4.930 0.957 -11.079 1.00 0.00 C ATOM 868 C GLN A 55 3.506 1.202 -11.577 1.00 0.00 C ATOM 869 O GLN A 55 3.202 2.244 -12.158 1.00 0.00 O ATOM 870 CB GLN A 55 5.785 0.352 -12.196 1.00 0.00 C ATOM 871 CG GLN A 55 7.053 1.139 -12.484 1.00 0.00 C ATOM 872 CD GLN A 55 8.078 1.021 -11.374 1.00 0.00 C ATOM 873 OE1 GLN A 55 8.807 0.033 -11.288 1.00 0.00 O ATOM 874 NE2 GLN A 55 8.140 2.032 -10.515 1.00 0.00 N ATOM 0 H GLN A 55 5.216 -0.881 -10.107 1.00 0.00 H new ATOM 0 HA GLN A 55 5.371 1.909 -10.784 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.054 -0.669 -11.924 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.189 0.292 -13.107 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.491 0.785 -13.417 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.799 2.189 -12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.517 2.832 -10.623 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.811 2.008 -9.747 1.00 0.00 H new ATOM 883 N GLU A 56 2.643 0.224 -11.330 1.00 0.00 N ATOM 884 CA GLU A 56 1.244 0.303 -11.731 1.00 0.00 C ATOM 885 C GLU A 56 0.475 1.269 -10.839 1.00 0.00 C ATOM 886 O GLU A 56 -0.552 1.812 -11.241 1.00 0.00 O ATOM 887 CB GLU A 56 0.594 -1.077 -11.655 1.00 0.00 C ATOM 888 CG GLU A 56 -0.497 -1.299 -12.689 1.00 0.00 C ATOM 889 CD GLU A 56 -1.762 -1.886 -12.089 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.030 -1.626 -10.896 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.483 -2.606 -12.812 1.00 0.00 O ATOM 0 H GLU A 56 2.891 -0.641 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 56 1.211 0.668 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.363 -1.838 -11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.172 -1.215 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.734 -0.350 -13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.125 -1.966 -13.466 1.00 0.00 H new ATOM 898 N GLU A 57 0.964 1.458 -9.617 1.00 0.00 N ATOM 899 CA GLU A 57 0.307 2.338 -8.662 1.00 0.00 C ATOM 900 C GLU A 57 1.096 3.628 -8.434 1.00 0.00 C ATOM 901 O GLU A 57 0.732 4.444 -7.587 1.00 0.00 O ATOM 902 CB GLU A 57 0.088 1.606 -7.341 1.00 0.00 C ATOM 903 CG GLU A 57 -1.270 0.932 -7.252 1.00 0.00 C ATOM 904 CD GLU A 57 -1.195 -0.562 -7.495 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.256 -1.004 -8.187 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.078 -1.290 -6.995 1.00 0.00 O ATOM 0 H GLU A 57 1.812 1.013 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.658 2.620 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.868 0.856 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.190 2.314 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.699 1.115 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.944 1.382 -7.981 1.00 0.00 H new ATOM 913 N VAL A 58 2.163 3.815 -9.203 1.00 0.00 N ATOM 914 CA VAL A 58 2.983 5.013 -9.096 1.00 0.00 C ATOM 915 C VAL A 58 3.272 5.565 -10.481 1.00 0.00 C ATOM 916 O VAL A 58 3.176 6.769 -10.718 1.00 0.00 O ATOM 917 CB VAL A 58 4.318 4.734 -8.377 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.063 6.031 -8.107 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.084 3.980 -7.081 1.00 0.00 C ATOM 0 H VAL A 58 2.480 3.150 -9.908 1.00 0.00 H new ATOM 0 HA VAL A 58 2.424 5.740 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 58 4.931 4.113 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.002 5.812 -7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.270 6.535 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.452 6.677 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.040 3.794 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.449 4.574 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.596 3.030 -7.296 1.00 0.00 H new ATOM 929 N GLY A 59 3.608 4.665 -11.399 1.00 0.00 N ATOM 930 CA GLY A 59 3.886 5.052 -12.766 1.00 0.00 C ATOM 931 C GLY A 59 5.178 5.821 -12.932 1.00 0.00 C ATOM 932 O GLY A 59 5.922 5.605 -13.888 1.00 0.00 O ATOM 0 H GLY A 59 3.693 3.665 -11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.925 4.157 -13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.061 5.661 -13.136 1.00 0.00 H new ATOM 936 N ILE A 60 5.438 6.716 -12.006 1.00 0.00 N ATOM 937 CA ILE A 60 6.640 7.529 -12.042 1.00 0.00 C ATOM 938 C ILE A 60 7.848 6.729 -11.574 1.00 0.00 C ATOM 939 O ILE A 60 7.752 5.526 -11.333 1.00 0.00 O ATOM 940 CB ILE A 60 6.525 8.803 -11.167 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.431 8.689 -10.103 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.290 10.028 -12.037 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.714 9.524 -8.872 1.00 0.00 C ATOM 0 H ILE A 60 4.828 6.903 -11.210 1.00 0.00 H new ATOM 0 HA ILE A 60 6.766 7.834 -13.081 1.00 0.00 H new ATOM 0 HB ILE A 60 7.473 8.912 -10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.479 8.998 -10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.324 7.645 -9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.212 10.913 -11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.124 10.148 -12.729 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.366 9.902 -12.601 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.903 9.401 -8.155 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.651 9.199 -8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.793 10.574 -9.155 1.00 0.00 H new ATOM 955 N THR A 61 8.982 7.409 -11.457 1.00 0.00 N ATOM 956 CA THR A 61 10.213 6.791 -11.025 1.00 0.00 C ATOM 957 C THR A 61 10.580 7.293 -9.634 1.00 0.00 C ATOM 958 O THR A 61 11.249 8.316 -9.495 1.00 0.00 O ATOM 959 CB THR A 61 11.300 7.163 -12.013 1.00 0.00 C ATOM 960 OG1 THR A 61 11.096 8.476 -12.507 1.00 0.00 O ATOM 961 CG2 THR A 61 11.368 6.232 -13.202 1.00 0.00 C ATOM 0 H THR A 61 9.066 8.405 -11.661 1.00 0.00 H new ATOM 0 HA THR A 61 10.099 5.708 -10.984 1.00 0.00 H new ATOM 0 HB THR A 61 12.236 7.089 -11.459 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.808 8.701 -13.142 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.166 6.554 -13.871 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.569 5.217 -12.859 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.418 6.253 -13.735 1.00 0.00 H new ATOM 969 N PRO A 62 10.098 6.618 -8.581 1.00 0.00 N ATOM 970 CA PRO A 62 10.316 7.025 -7.211 1.00 0.00 C ATOM 971 C PRO A 62 11.252 6.126 -6.420 1.00 0.00 C ATOM 972 O PRO A 62 11.255 4.908 -6.600 1.00 0.00 O ATOM 973 CB PRO A 62 8.903 6.844 -6.681 1.00 0.00 C ATOM 974 CG PRO A 62 8.456 5.560 -7.310 1.00 0.00 C ATOM 975 CD PRO A 62 9.221 5.437 -8.613 1.00 0.00 C ATOM 0 HA PRO A 62 10.777 8.010 -7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.887 6.785 -5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.258 7.676 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.664 4.713 -6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.381 5.568 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.791 4.509 -8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.556 5.449 -9.477 1.00 0.00 H new ATOM 983 N GLN A 63 11.983 6.720 -5.481 1.00 0.00 N ATOM 984 CA GLN A 63 12.833 5.937 -4.610 1.00 0.00 C ATOM 985 C GLN A 63 11.899 5.259 -3.625 1.00 0.00 C ATOM 986 O GLN A 63 11.683 5.732 -2.510 1.00 0.00 O ATOM 987 CB GLN A 63 13.845 6.822 -3.880 1.00 0.00 C ATOM 988 CG GLN A 63 14.914 7.402 -4.792 1.00 0.00 C ATOM 989 CD GLN A 63 15.795 8.415 -4.086 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.062 9.495 -4.611 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.254 8.067 -2.889 1.00 0.00 N ATOM 0 H GLN A 63 12.000 7.725 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 63 13.417 5.211 -5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.315 7.639 -3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.326 6.238 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.534 6.593 -5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.437 7.876 -5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.007 7.161 -2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.854 8.706 -2.367 1.00 0.00 H new ATOM 1000 N HIS A 64 11.300 4.180 -4.093 1.00 0.00 N ATOM 1001 CA HIS A 64 10.317 3.439 -3.324 1.00 0.00 C ATOM 1002 C HIS A 64 10.722 1.984 -3.195 1.00 0.00 C ATOM 1003 O HIS A 64 11.051 1.332 -4.185 1.00 0.00 O ATOM 1004 CB HIS A 64 8.967 3.580 -4.039 1.00 0.00 C ATOM 1005 CG HIS A 64 7.863 2.671 -3.566 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.531 3.017 -3.661 1.00 0.00 N ATOM 1007 CD2 HIS A 64 7.881 1.426 -3.023 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.783 2.031 -3.201 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.578 1.056 -2.807 1.00 0.00 N ATOM 0 H HIS A 64 11.481 3.792 -5.019 1.00 0.00 H new ATOM 0 HA HIS A 64 10.245 3.836 -2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.630 4.611 -3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.123 3.403 -5.103 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.178 3.900 -4.030 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.759 0.837 -2.802 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.704 2.024 -3.155 1.00 0.00 H new ATOM 1018 N PHE A 65 10.699 1.476 -1.967 1.00 0.00 N ATOM 1019 CA PHE A 65 11.068 0.101 -1.712 1.00 0.00 C ATOM 1020 C PHE A 65 11.030 -0.212 -0.220 1.00 0.00 C ATOM 1021 O PHE A 65 10.607 0.607 0.586 1.00 0.00 O ATOM 1022 CB PHE A 65 12.472 -0.134 -2.235 1.00 0.00 C ATOM 1023 CG PHE A 65 12.662 -1.475 -2.885 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.750 -1.934 -3.821 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.750 -2.272 -2.567 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.918 -3.163 -4.430 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.923 -3.505 -3.172 1.00 0.00 C ATOM 1028 CZ PHE A 65 13.005 -3.950 -4.105 1.00 0.00 C ATOM 0 H PHE A 65 10.427 2.002 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 65 10.355 -0.551 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.716 0.646 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.178 -0.038 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.897 -1.324 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.470 -1.928 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.200 -3.508 -5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.774 -4.119 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.138 -4.911 -4.579 1.00 0.00 H new ATOM 1038 N SER A 66 11.493 -1.405 0.130 1.00 0.00 N ATOM 1039 CA SER A 66 11.539 -1.847 1.520 1.00 0.00 C ATOM 1040 C SER A 66 10.142 -2.109 2.050 1.00 0.00 C ATOM 1041 O SER A 66 9.160 -1.642 1.479 1.00 0.00 O ATOM 1042 CB SER A 66 12.244 -0.806 2.392 1.00 0.00 C ATOM 1043 OG SER A 66 12.557 -1.338 3.668 1.00 0.00 O ATOM 0 H SER A 66 11.846 -2.091 -0.537 1.00 0.00 H new ATOM 0 HA SER A 66 12.104 -2.778 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.157 -0.473 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.606 0.070 2.506 1.00 0.00 H new ATOM 0 HG SER A 66 13.008 -0.654 4.206 1.00 0.00 H new ATOM 1049 N LEU A 67 10.060 -2.863 3.141 1.00 0.00 N ATOM 1050 CA LEU A 67 8.777 -3.192 3.748 1.00 0.00 C ATOM 1051 C LEU A 67 8.741 -2.775 5.211 1.00 0.00 C ATOM 1052 O LEU A 67 9.554 -3.232 6.015 1.00 0.00 O ATOM 1053 CB LEU A 67 8.502 -4.693 3.625 1.00 0.00 C ATOM 1054 CG LEU A 67 9.391 -5.588 4.489 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.709 -5.900 5.812 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.736 -6.873 3.748 1.00 0.00 C ATOM 0 H LEU A 67 10.868 -3.258 3.623 1.00 0.00 H new ATOM 0 HA LEU A 67 8.001 -2.641 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.461 -4.879 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.624 -4.985 2.582 1.00 0.00 H new ATOM 0 HG LEU A 67 10.317 -5.053 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.356 -6.538 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.514 -4.972 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.767 -6.414 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.369 -7.498 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.819 -7.412 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.267 -6.631 2.827 1.00 0.00 H new ATOM 1068 N PHE A 68 7.797 -1.901 5.557 1.00 0.00 N ATOM 1069 CA PHE A 68 7.671 -1.428 6.926 1.00 0.00 C ATOM 1070 C PHE A 68 7.031 -2.512 7.796 1.00 0.00 C ATOM 1071 O PHE A 68 7.337 -2.638 8.981 1.00 0.00 O ATOM 1072 CB PHE A 68 6.841 -0.131 6.962 1.00 0.00 C ATOM 1073 CG PHE A 68 5.579 -0.207 7.785 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.512 -0.989 7.371 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.462 0.506 8.968 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.353 -1.059 8.121 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.305 0.440 9.722 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.249 -0.343 9.299 1.00 0.00 C ATOM 0 H PHE A 68 7.113 -1.510 4.909 1.00 0.00 H new ATOM 0 HA PHE A 68 8.662 -1.210 7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.465 0.672 7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.575 0.142 5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.587 -1.550 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.284 1.120 9.305 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.529 -1.673 7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.227 1.001 10.642 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.345 -0.396 9.887 1.00 0.00 H new ATOM 1088 N GLU A 69 6.146 -3.293 7.184 1.00 0.00 N ATOM 1089 CA GLU A 69 5.460 -4.375 7.879 1.00 0.00 C ATOM 1090 C GLU A 69 4.666 -5.232 6.898 1.00 0.00 C ATOM 1091 O GLU A 69 4.403 -4.818 5.772 1.00 0.00 O ATOM 1092 CB GLU A 69 4.528 -3.808 8.953 1.00 0.00 C ATOM 1093 CG GLU A 69 4.515 -4.620 10.237 1.00 0.00 C ATOM 1094 CD GLU A 69 3.717 -3.952 11.340 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.592 -3.486 11.061 1.00 0.00 O ATOM 1096 OE2 GLU A 69 4.217 -3.895 12.483 1.00 0.00 O ATOM 0 H GLU A 69 5.887 -3.195 6.202 1.00 0.00 H new ATOM 0 HA GLU A 69 6.212 -5.004 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.831 -2.786 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.515 -3.759 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.095 -5.605 10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.539 -4.773 10.576 1.00 0.00 H new ATOM 1103 N LYS A 70 4.271 -6.421 7.334 1.00 0.00 N ATOM 1104 CA LYS A 70 3.484 -7.325 6.501 1.00 0.00 C ATOM 1105 C LYS A 70 2.487 -8.078 7.379 1.00 0.00 C ATOM 1106 O LYS A 70 2.874 -8.663 8.390 1.00 0.00 O ATOM 1107 CB LYS A 70 4.388 -8.314 5.756 1.00 0.00 C ATOM 1108 CG LYS A 70 5.733 -8.549 6.429 1.00 0.00 C ATOM 1109 CD LYS A 70 5.581 -9.336 7.721 1.00 0.00 C ATOM 1110 CE LYS A 70 6.928 -9.802 8.250 1.00 0.00 C ATOM 1111 NZ LYS A 70 7.790 -10.355 7.169 1.00 0.00 N ATOM 0 H LYS A 70 4.483 -6.784 8.263 1.00 0.00 H new ATOM 0 HA LYS A 70 2.946 -6.739 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.868 -9.267 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.559 -7.944 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.392 -9.089 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.208 -7.591 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.089 -8.716 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.938 -10.199 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.438 -8.966 8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.774 -10.562 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.518 -10.969 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.207 -10.908 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.248 -9.574 6.656 1.00 0.00 H new ATOM 1125 N LEU A 71 1.205 -8.048 7.022 1.00 0.00 N ATOM 1126 CA LEU A 71 0.201 -8.709 7.818 1.00 0.00 C ATOM 1127 C LEU A 71 -0.138 -10.104 7.288 1.00 0.00 C ATOM 1128 O LEU A 71 -0.619 -10.273 6.168 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.034 -7.813 7.845 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.376 -8.498 8.069 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.873 -9.177 6.802 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -2.299 -9.486 9.224 1.00 0.00 C ATOM 0 H LEU A 71 0.849 -7.574 6.192 1.00 0.00 H new ATOM 0 HA LEU A 71 0.584 -8.863 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.897 -7.070 8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.082 -7.273 6.900 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.099 -7.726 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.833 -9.656 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.992 -8.434 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.151 -9.929 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.270 -9.961 9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.551 -10.247 9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.020 -8.958 10.136 1.00 0.00 H new ATOM 1144 N GLU A 72 0.163 -11.089 8.117 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.064 -12.475 7.767 1.00 0.00 C ATOM 1146 C GLU A 72 -1.118 -13.110 8.671 1.00 0.00 C ATOM 1147 O GLU A 72 -0.875 -13.379 9.847 1.00 0.00 O ATOM 1148 CB GLU A 72 1.250 -13.246 7.854 1.00 0.00 C ATOM 1149 CG GLU A 72 1.078 -14.735 7.674 1.00 0.00 C ATOM 1150 CD GLU A 72 2.385 -15.497 7.774 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.450 -14.875 7.583 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.342 -16.715 8.043 1.00 0.00 O ATOM 0 H GLU A 72 0.568 -10.950 9.043 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.440 -12.517 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.935 -12.871 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.713 -13.054 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.386 -15.109 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.624 -14.928 6.702 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.291 -13.355 8.089 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.403 -13.971 8.803 1.00 0.00 C ATOM 1161 C TYR A 73 -4.158 -14.927 7.883 1.00 0.00 C ATOM 1162 O TYR A 73 -4.371 -14.626 6.708 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.351 -12.897 9.344 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.346 -13.411 10.362 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -5.007 -14.423 11.254 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.629 -12.879 10.433 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.917 -14.891 12.183 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.543 -13.341 11.361 1.00 0.00 C ATOM 1169 CZ TYR A 73 -7.183 -14.346 12.232 1.00 0.00 C ATOM 1170 OH TYR A 73 -8.090 -14.809 13.158 1.00 0.00 O ATOM 0 H TYR A 73 -2.495 -13.133 7.115 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.004 -14.537 9.644 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.761 -12.101 9.798 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.896 -12.454 8.510 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.016 -14.850 11.220 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.916 -12.092 9.752 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.638 -15.679 12.867 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.535 -12.916 11.403 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.934 -14.320 13.062 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.559 -16.076 8.413 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.289 -17.060 7.614 1.00 0.00 C ATOM 1182 C GLU A 74 -6.664 -17.357 8.201 1.00 0.00 C ATOM 1183 O GLU A 74 -6.786 -17.841 9.327 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.493 -18.359 7.468 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.721 -18.759 8.716 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.467 -19.549 8.397 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.970 -19.440 7.256 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.980 -20.276 9.289 1.00 0.00 O ATOM 0 H GLU A 74 -4.395 -16.350 9.382 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.427 -16.622 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.178 -19.165 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.793 -18.252 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.449 -17.863 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.366 -19.354 9.363 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.691 -17.070 7.412 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.069 -17.303 7.809 1.00 0.00 C ATOM 1197 C PHE A 75 -9.508 -18.706 7.388 1.00 0.00 C ATOM 1198 O PHE A 75 -8.866 -19.331 6.547 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.973 -16.249 7.166 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.367 -15.134 8.093 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -9.457 -14.144 8.429 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -11.645 -15.073 8.627 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -9.813 -13.116 9.280 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -12.007 -14.047 9.478 1.00 0.00 C ATOM 1205 CZ PHE A 75 -11.089 -13.067 9.805 1.00 0.00 C ATOM 0 H PHE A 75 -7.590 -16.669 6.479 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.148 -17.227 8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.462 -15.825 6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.875 -16.736 6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.458 -14.177 8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -12.366 -15.837 8.375 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.094 -12.351 9.534 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -13.006 -14.011 9.887 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.369 -12.264 10.470 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.610 -19.216 7.976 1.00 0.00 N ATOM 1216 CA PRO A 76 -11.161 -20.539 7.689 1.00 0.00 C ATOM 1217 C PRO A 76 -10.984 -20.968 6.234 1.00 0.00 C ATOM 1218 O PRO A 76 -11.904 -20.862 5.424 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.653 -20.385 8.033 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.805 -19.019 8.639 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.421 -18.540 8.974 1.00 0.00 C ATOM 0 HA PRO A 76 -10.650 -21.315 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.271 -20.486 7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.973 -21.158 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.292 -18.338 7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.428 -19.059 9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.337 -17.456 8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.130 -18.814 9.988 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.785 -21.456 5.928 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.429 -21.925 4.585 1.00 0.00 C ATOM 1231 C ASP A 77 -8.917 -20.784 3.712 1.00 0.00 C ATOM 1232 O ASP A 77 -7.877 -20.905 3.065 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.617 -22.614 3.901 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.343 -23.571 4.825 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.746 -23.984 5.841 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.510 -23.908 4.533 1.00 0.00 O ATOM 0 H ASP A 77 -9.027 -21.539 6.605 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.627 -22.653 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.316 -21.857 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.263 -23.158 3.025 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.650 -19.678 3.697 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.263 -18.518 2.901 1.00 0.00 C ATOM 1243 C ARG A 78 -8.339 -17.604 3.698 1.00 0.00 C ATOM 1244 O ARG A 78 -8.775 -16.937 4.633 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.508 -17.745 2.457 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.440 -17.258 1.018 1.00 0.00 C ATOM 1247 CD ARG A 78 -10.834 -15.792 0.898 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.148 -15.626 0.280 1.00 0.00 N ATOM 1249 CZ ARG A 78 -13.300 -15.750 0.938 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.306 -16.042 2.232 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.448 -15.579 0.298 1.00 0.00 N ATOM 0 H ARG A 78 -10.514 -19.559 4.225 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.728 -18.869 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.383 -18.384 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.648 -16.888 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.429 -17.395 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.100 -17.864 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.839 -15.336 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.086 -15.263 0.307 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.185 -15.402 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.425 -16.173 2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.191 -16.135 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.449 -15.353 -0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.331 -15.674 0.800 1.00 0.00 H new ATOM 1265 N HIS A 79 -7.060 -17.578 3.331 1.00 0.00 N ATOM 1266 CA HIS A 79 -6.085 -16.747 4.024 1.00 0.00 C ATOM 1267 C HIS A 79 -5.870 -15.424 3.300 1.00 0.00 C ATOM 1268 O HIS A 79 -6.063 -15.325 2.089 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.751 -17.486 4.158 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.895 -18.936 4.512 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -3.846 -19.829 4.461 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -5.972 -19.646 4.924 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -4.271 -21.026 4.824 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -5.557 -20.941 5.110 1.00 0.00 N ATOM 0 H HIS A 79 -6.677 -18.123 2.558 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.480 -16.534 5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.205 -17.404 3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.149 -16.993 4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.971 -19.265 5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.669 -21.921 4.878 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.147 -21.713 5.419 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.449 -14.413 4.054 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.179 -13.099 3.505 1.00 0.00 C ATOM 1285 C ILE A 80 -3.758 -12.684 3.877 1.00 0.00 C ATOM 1286 O ILE A 80 -3.308 -12.936 4.995 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.183 -12.054 4.037 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.698 -10.639 3.730 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.394 -12.230 5.534 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.816 -9.651 3.485 1.00 0.00 C ATOM 0 H ILE A 80 -5.288 -14.486 5.058 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.285 -13.146 2.421 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.137 -12.208 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.089 -10.285 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.053 -10.668 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.105 -11.485 5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.785 -13.228 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.444 -12.103 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.394 -8.669 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.413 -9.980 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.449 -9.591 4.370 1.00 0.00 H new ATOM 1302 N THR A 81 -3.052 -12.051 2.950 1.00 0.00 N ATOM 1303 CA THR A 81 -1.691 -11.614 3.205 1.00 0.00 C ATOM 1304 C THR A 81 -1.482 -10.187 2.704 1.00 0.00 C ATOM 1305 O THR A 81 -1.611 -9.921 1.511 1.00 0.00 O ATOM 1306 CB THR A 81 -0.709 -12.561 2.513 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.403 -13.547 1.766 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.212 -13.280 3.471 1.00 0.00 C ATOM 0 H THR A 81 -3.400 -11.830 2.017 1.00 0.00 H new ATOM 0 HA THR A 81 -1.513 -11.630 4.280 1.00 0.00 H new ATOM 0 HB THR A 81 -0.106 -11.923 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.870 -14.369 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.881 -13.934 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.800 -12.550 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.379 -13.875 4.167 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.156 -9.274 3.611 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.931 -7.881 3.233 1.00 0.00 C ATOM 1318 C LEU A 82 0.511 -7.473 3.514 1.00 0.00 C ATOM 1319 O LEU A 82 0.930 -7.419 4.662 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.888 -6.960 3.994 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.377 -7.233 3.763 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.163 -7.047 5.054 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.924 -6.326 2.669 1.00 0.00 C ATOM 0 H LEU A 82 -1.042 -9.469 4.606 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.120 -7.785 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.680 -7.048 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.676 -5.929 3.712 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.489 -8.268 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.219 -7.245 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.791 -7.739 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.043 -6.023 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.983 -6.535 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.798 -5.284 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.383 -6.509 1.740 1.00 0.00 H new ATOM 1335 N TRP A 83 1.269 -7.177 2.464 1.00 0.00 N ATOM 1336 CA TRP A 83 2.659 -6.768 2.630 1.00 0.00 C ATOM 1337 C TRP A 83 2.799 -5.264 2.454 1.00 0.00 C ATOM 1338 O TRP A 83 2.439 -4.718 1.413 1.00 0.00 O ATOM 1339 CB TRP A 83 3.553 -7.493 1.623 1.00 0.00 C ATOM 1340 CG TRP A 83 3.624 -8.973 1.845 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.641 -9.772 2.351 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.737 -9.830 1.569 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.073 -11.073 2.405 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.357 -11.136 1.931 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.019 -9.621 1.050 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.211 -12.226 1.792 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 6.866 -10.704 0.912 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.460 -11.992 1.281 1.00 0.00 C ATOM 0 H TRP A 83 0.948 -7.212 1.496 1.00 0.00 H new ATOM 0 HA TRP A 83 2.973 -7.034 3.639 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.182 -7.302 0.616 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.559 -7.077 1.676 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.665 -9.430 2.663 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.527 -11.865 2.743 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.341 -8.631 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 4.900 -13.220 2.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.858 -10.554 0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.146 -12.818 1.160 1.00 0.00 H new ATOM 1359 N PHE A 84 3.329 -4.593 3.472 1.00 0.00 N ATOM 1360 CA PHE A 84 3.513 -3.147 3.406 1.00 0.00 C ATOM 1361 C PHE A 84 4.963 -2.809 3.049 1.00 0.00 C ATOM 1362 O PHE A 84 5.896 -3.300 3.684 1.00 0.00 O ATOM 1363 CB PHE A 84 3.109 -2.474 4.731 1.00 0.00 C ATOM 1364 CG PHE A 84 1.617 -2.405 4.968 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.763 -3.355 4.425 1.00 0.00 C ATOM 1366 CD2 PHE A 84 1.068 -1.388 5.742 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.600 -3.291 4.645 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.294 -1.324 5.964 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.129 -2.276 5.415 1.00 0.00 C ATOM 0 H PHE A 84 3.636 -5.022 4.345 1.00 0.00 H new ATOM 0 HA PHE A 84 2.862 -2.759 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.571 -3.017 5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.514 -1.462 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.169 -4.154 3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.715 -0.639 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.252 -4.036 4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.706 -0.529 6.568 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.194 -2.226 5.588 1.00 0.00 H new ATOM 1379 N TRP A 85 5.146 -1.965 2.032 1.00 0.00 N ATOM 1380 CA TRP A 85 6.484 -1.561 1.596 1.00 0.00 C ATOM 1381 C TRP A 85 6.783 -0.126 2.026 1.00 0.00 C ATOM 1382 O TRP A 85 6.012 0.784 1.724 1.00 0.00 O ATOM 1383 CB TRP A 85 6.605 -1.691 0.077 1.00 0.00 C ATOM 1384 CG TRP A 85 6.405 -3.092 -0.407 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.219 -3.683 -0.733 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.418 -4.082 -0.613 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.433 -4.981 -1.130 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.775 -5.249 -1.065 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.807 -4.093 -0.460 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.475 -6.416 -1.365 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.500 -5.252 -0.757 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.834 -6.399 -1.206 1.00 0.00 C ATOM 0 H TRP A 85 4.385 -1.548 1.495 1.00 0.00 H new ATOM 0 HA TRP A 85 7.212 -2.220 2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.871 -1.040 -0.398 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.589 -1.342 -0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.254 -3.201 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.711 -5.638 -1.425 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.329 -3.213 -0.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 6.963 -7.302 -1.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.574 -5.273 -0.641 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.404 -7.288 -1.431 1.00 0.00 H new ATOM 1403 N LEU A 86 7.878 0.079 2.769 1.00 0.00 N ATOM 1404 CA LEU A 86 8.186 1.424 3.250 1.00 0.00 C ATOM 1405 C LEU A 86 8.917 2.277 2.206 1.00 0.00 C ATOM 1406 O LEU A 86 10.133 2.195 2.045 1.00 0.00 O ATOM 1407 CB LEU A 86 9.041 1.335 4.517 1.00 0.00 C ATOM 1408 CG LEU A 86 9.469 2.681 5.106 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.265 3.431 5.653 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.513 2.479 6.193 1.00 0.00 C ATOM 0 H LEU A 86 8.543 -0.645 3.041 1.00 0.00 H new ATOM 0 HA LEU A 86 7.234 1.912 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.484 0.785 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.935 0.753 4.293 1.00 0.00 H new ATOM 0 HG LEU A 86 9.913 3.280 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.589 4.386 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.551 3.608 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.791 2.838 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.806 3.447 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.095 1.862 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.387 1.984 5.770 1.00 0.00 H new ATOM 1422 N VAL A 87 8.137 3.097 1.511 1.00 0.00 N ATOM 1423 CA VAL A 87 8.633 3.994 0.459 1.00 0.00 C ATOM 1424 C VAL A 87 9.396 5.168 1.018 1.00 0.00 C ATOM 1425 O VAL A 87 9.091 5.654 2.108 1.00 0.00 O ATOM 1426 CB VAL A 87 7.493 4.542 -0.388 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.017 5.222 -1.643 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.528 3.424 -0.726 1.00 0.00 C ATOM 0 H VAL A 87 7.130 3.163 1.659 1.00 0.00 H new ATOM 0 HA VAL A 87 9.301 3.386 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 87 6.961 5.301 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.179 5.603 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.670 6.049 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.578 4.502 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.713 3.818 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.052 2.647 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.124 3.001 0.194 1.00 0.00 H new ATOM 1438 N GLU A 88 10.405 5.614 0.283 1.00 0.00 N ATOM 1439 CA GLU A 88 11.207 6.729 0.752 1.00 0.00 C ATOM 1440 C GLU A 88 11.088 8.001 -0.102 1.00 0.00 C ATOM 1441 O GLU A 88 11.268 9.099 0.423 1.00 0.00 O ATOM 1442 CB GLU A 88 12.678 6.321 0.863 1.00 0.00 C ATOM 1443 CG GLU A 88 12.885 4.857 1.220 1.00 0.00 C ATOM 1444 CD GLU A 88 14.297 4.565 1.688 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.201 5.375 1.393 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.499 3.524 2.349 1.00 0.00 O ATOM 0 H GLU A 88 10.682 5.230 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 88 10.804 6.981 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.175 6.528 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.161 6.941 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.181 4.575 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.659 4.239 0.351 1.00 0.00 H new ATOM 1453 N ARG A 89 10.820 7.885 -1.406 1.00 0.00 N ATOM 1454 CA ARG A 89 10.731 9.086 -2.240 1.00 0.00 C ATOM 1455 C ARG A 89 10.034 8.813 -3.571 1.00 0.00 C ATOM 1456 O ARG A 89 9.879 7.662 -3.975 1.00 0.00 O ATOM 1457 CB ARG A 89 12.144 9.673 -2.447 1.00 0.00 C ATOM 1458 CG ARG A 89 12.537 9.974 -3.892 1.00 0.00 C ATOM 1459 CD ARG A 89 12.411 11.456 -4.209 1.00 0.00 C ATOM 1460 NE ARG A 89 13.717 12.103 -4.316 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.929 13.248 -4.959 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.924 13.883 -5.550 1.00 0.00 N ATOM 1463 NH2 ARG A 89 15.150 13.762 -5.010 1.00 0.00 N ATOM 0 H ARG A 89 10.665 7.003 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 89 10.114 9.820 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.221 10.595 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.871 8.975 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.563 9.650 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.903 9.401 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.866 11.582 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.826 11.945 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 89 14.514 11.649 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.982 13.493 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.094 14.761 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.926 13.279 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.314 14.640 -5.503 1.00 0.00 H new ATOM 1477 N TRP A 90 9.643 9.888 -4.260 1.00 0.00 N ATOM 1478 CA TRP A 90 8.994 9.769 -5.562 1.00 0.00 C ATOM 1479 C TRP A 90 9.219 11.021 -6.409 1.00 0.00 C ATOM 1480 O TRP A 90 8.911 12.134 -5.983 1.00 0.00 O ATOM 1481 CB TRP A 90 7.496 9.467 -5.406 1.00 0.00 C ATOM 1482 CG TRP A 90 6.622 10.675 -5.267 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.281 11.564 -6.247 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.963 11.113 -4.080 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.451 12.532 -5.736 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.240 12.275 -4.407 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.915 10.632 -2.771 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.477 12.963 -3.468 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.158 11.315 -1.840 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.447 12.469 -2.193 1.00 0.00 C ATOM 0 H TRP A 90 9.765 10.847 -3.936 1.00 0.00 H new ATOM 0 HA TRP A 90 9.451 8.929 -6.086 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.164 8.893 -6.271 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.357 8.833 -4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.615 11.513 -7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.057 13.313 -6.260 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.460 9.742 -2.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.929 13.854 -3.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.113 10.954 -0.823 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.862 12.980 -1.442 1.00 0.00 H new ATOM 1501 N GLU A 91 9.768 10.830 -7.611 1.00 0.00 N ATOM 1502 CA GLU A 91 10.039 11.945 -8.511 1.00 0.00 C ATOM 1503 C GLU A 91 8.771 12.376 -9.242 1.00 0.00 C ATOM 1504 O GLU A 91 7.831 11.597 -9.386 1.00 0.00 O ATOM 1505 CB GLU A 91 11.118 11.559 -9.525 1.00 0.00 C ATOM 1506 CG GLU A 91 12.534 11.811 -9.034 1.00 0.00 C ATOM 1507 CD GLU A 91 13.516 12.018 -10.171 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.111 12.579 -11.210 1.00 0.00 O ATOM 1509 OE2 GLU A 91 14.690 11.618 -10.021 1.00 0.00 O ATOM 0 H GLU A 91 10.031 9.916 -7.979 1.00 0.00 H new ATOM 0 HA GLU A 91 10.395 12.783 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.011 10.503 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.957 12.120 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.540 12.689 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.860 10.967 -8.426 1.00 0.00 H new ATOM 1516 N GLY A 92 8.755 13.625 -9.701 1.00 0.00 N ATOM 1517 CA GLY A 92 7.599 14.140 -10.412 1.00 0.00 C ATOM 1518 C GLY A 92 6.316 13.995 -9.617 1.00 0.00 C ATOM 1519 O GLY A 92 6.292 14.249 -8.413 1.00 0.00 O ATOM 0 H GLY A 92 9.522 14.289 -9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.760 15.192 -10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.496 13.614 -11.361 1.00 0.00 H new ATOM 1523 N GLU A 93 5.247 13.584 -10.291 1.00 0.00 N ATOM 1524 CA GLU A 93 3.957 13.404 -9.638 1.00 0.00 C ATOM 1525 C GLU A 93 3.563 11.928 -9.612 1.00 0.00 C ATOM 1526 O GLU A 93 3.809 11.198 -10.572 1.00 0.00 O ATOM 1527 CB GLU A 93 2.879 14.217 -10.359 1.00 0.00 C ATOM 1528 CG GLU A 93 1.800 14.752 -9.434 1.00 0.00 C ATOM 1529 CD GLU A 93 1.308 16.126 -9.844 1.00 0.00 C ATOM 1530 OE1 GLU A 93 2.086 16.870 -10.477 1.00 0.00 O ATOM 1531 OE2 GLU A 93 0.145 16.458 -9.533 1.00 0.00 O ATOM 0 H GLU A 93 5.249 13.370 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 93 4.044 13.758 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.351 15.053 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.415 13.593 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.960 14.058 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.189 14.798 -8.417 1.00 0.00 H new ATOM 1538 N PRO A 94 2.934 11.466 -8.515 1.00 0.00 N ATOM 1539 CA PRO A 94 2.496 10.078 -8.379 1.00 0.00 C ATOM 1540 C PRO A 94 1.239 9.818 -9.189 1.00 0.00 C ATOM 1541 O PRO A 94 0.261 10.556 -9.071 1.00 0.00 O ATOM 1542 CB PRO A 94 2.198 9.928 -6.875 1.00 0.00 C ATOM 1543 CG PRO A 94 2.605 11.220 -6.243 1.00 0.00 C ATOM 1544 CD PRO A 94 2.574 12.249 -7.333 1.00 0.00 C ATOM 0 HA PRO A 94 3.244 9.373 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.140 9.727 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.754 9.093 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.925 11.489 -5.435 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.602 11.143 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.589 12.706 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.283 13.057 -7.149 1.00 0.00 H new ATOM 1552 N TRP A 95 1.251 8.775 -10.010 1.00 0.00 N ATOM 1553 CA TRP A 95 0.080 8.470 -10.814 1.00 0.00 C ATOM 1554 C TRP A 95 -0.208 6.977 -10.883 1.00 0.00 C ATOM 1555 O TRP A 95 -1.255 6.520 -10.423 1.00 0.00 O ATOM 1556 CB TRP A 95 0.214 9.042 -12.230 1.00 0.00 C ATOM 1557 CG TRP A 95 1.490 8.693 -12.955 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.658 9.399 -12.939 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.720 7.570 -13.822 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.591 8.799 -13.755 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.039 7.678 -14.309 1.00 0.00 C ATOM 1562 CE3 TRP A 95 0.939 6.485 -14.237 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.587 6.751 -15.194 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.487 5.563 -15.110 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.797 5.704 -15.583 1.00 0.00 C ATOM 0 H TRP A 95 2.040 8.141 -10.134 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.764 8.947 -10.316 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.629 8.691 -12.826 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.135 10.128 -12.173 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.826 10.300 -12.368 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.540 9.136 -13.919 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.074 6.370 -13.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.598 6.855 -15.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.894 4.720 -15.432 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.193 4.970 -16.270 1.00 0.00 H new ATOM 1576 N GLY A 96 0.713 6.227 -11.470 1.00 0.00 N ATOM 1577 CA GLY A 96 0.530 4.790 -11.607 1.00 0.00 C ATOM 1578 C GLY A 96 -0.883 4.411 -12.018 1.00 0.00 C ATOM 1579 O GLY A 96 -1.222 4.442 -13.202 1.00 0.00 O ATOM 0 H GLY A 96 1.587 6.585 -11.856 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.233 4.408 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.770 4.306 -10.660 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.706 4.053 -11.032 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.094 3.664 -11.281 1.00 0.00 C ATOM 1585 C LYS A 97 -3.716 3.027 -10.037 1.00 0.00 C ATOM 1586 O LYS A 97 -4.457 2.049 -10.134 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.176 2.695 -12.466 1.00 0.00 C ATOM 1588 CG LYS A 97 -3.721 3.332 -13.734 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.705 2.414 -14.443 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.650 3.198 -15.340 1.00 0.00 C ATOM 1591 NZ LYS A 97 -6.435 4.205 -14.574 1.00 0.00 N ATOM 0 H LYS A 97 -1.434 4.024 -10.049 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.657 4.565 -11.523 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.182 2.296 -12.668 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.809 1.851 -12.192 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.213 4.273 -13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.896 3.571 -14.406 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.158 1.683 -15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.281 1.856 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.077 3.701 -16.119 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.332 2.509 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.446 4.097 -14.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.284 4.061 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.124 5.162 -14.838 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.415 3.588 -8.869 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.951 3.072 -7.612 1.00 0.00 C ATOM 1607 C GLU A 98 -5.476 3.131 -7.614 1.00 0.00 C ATOM 1608 O GLU A 98 -6.141 2.175 -7.213 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.389 3.866 -6.429 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.778 5.334 -6.437 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.269 6.078 -5.216 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -3.101 5.436 -4.158 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.040 7.301 -5.319 1.00 0.00 O ATOM 0 H GLU A 98 -2.804 4.398 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.647 2.030 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.737 3.412 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.302 3.788 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.383 5.806 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.864 5.418 -6.483 1.00 0.00 H new ATOM 1620 N GLY A 99 -6.030 4.250 -8.079 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.474 4.384 -8.133 1.00 0.00 C ATOM 1622 C GLY A 99 -7.980 5.739 -7.667 1.00 0.00 C ATOM 1623 O GLY A 99 -8.874 6.315 -8.286 1.00 0.00 O ATOM 0 H GLY A 99 -5.508 5.059 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.808 4.214 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.925 3.606 -7.517 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.431 6.243 -6.566 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.868 7.527 -6.024 1.00 0.00 C ATOM 1629 C GLN A 100 -6.701 8.462 -5.728 1.00 0.00 C ATOM 1630 O GLN A 100 -5.951 8.259 -4.775 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.686 7.301 -4.752 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.170 7.096 -5.012 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.513 5.654 -5.329 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -9.629 4.808 -5.463 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -11.803 5.366 -5.451 1.00 0.00 N ATOM 0 H GLN A 100 -6.689 5.787 -6.035 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.483 8.007 -6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.294 6.430 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.556 8.157 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.736 7.416 -4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.481 7.730 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.503 6.099 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.095 4.412 -5.664 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.551 9.517 -6.542 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.489 10.515 -6.369 1.00 0.00 C ATOM 1646 C PRO A 101 -5.421 11.045 -4.936 1.00 0.00 C ATOM 1647 O PRO A 101 -6.448 11.185 -4.271 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.923 11.626 -7.321 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.662 10.922 -8.397 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.417 9.833 -7.698 1.00 0.00 C ATOM 0 HA PRO A 101 -4.498 10.109 -6.570 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.556 12.357 -6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.064 12.168 -7.717 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.338 11.599 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.980 10.514 -9.143 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.406 10.166 -7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.563 8.966 -8.342 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.211 11.337 -4.464 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.047 11.846 -3.111 1.00 0.00 C ATOM 1660 C GLY A 102 -3.103 13.035 -3.032 1.00 0.00 C ATOM 1661 O GLY A 102 -2.517 13.441 -4.035 1.00 0.00 O ATOM 0 H GLY A 102 -3.344 11.231 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.021 12.136 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.670 11.047 -2.472 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.952 13.585 -1.828 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.069 14.729 -1.602 1.00 0.00 C ATOM 1667 C GLU A 103 -1.022 14.393 -0.542 1.00 0.00 C ATOM 1668 O GLU A 103 -1.313 13.681 0.419 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.879 15.954 -1.168 1.00 0.00 C ATOM 1670 CG GLU A 103 -4.210 16.096 -1.891 1.00 0.00 C ATOM 1671 CD GLU A 103 -4.064 16.039 -3.399 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -3.342 16.891 -3.959 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -4.673 15.143 -4.021 1.00 0.00 O ATOM 0 H GLU A 103 -3.432 13.255 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.560 14.959 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.063 15.895 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.285 16.851 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.883 15.303 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.673 17.042 -1.610 1.00 0.00 H new ATOM 1680 N TRP A 104 0.200 14.894 -0.725 1.00 0.00 N ATOM 1681 CA TRP A 104 1.284 14.617 0.225 1.00 0.00 C ATOM 1682 C TRP A 104 0.924 15.090 1.631 1.00 0.00 C ATOM 1683 O TRP A 104 0.951 16.286 1.922 1.00 0.00 O ATOM 1684 CB TRP A 104 2.601 15.288 -0.220 1.00 0.00 C ATOM 1685 CG TRP A 104 2.429 16.374 -1.242 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.499 16.239 -2.599 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.158 17.758 -0.991 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.289 17.453 -3.206 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.078 18.401 -2.241 1.00 0.00 C ATOM 1690 CE3 TRP A 104 1.976 18.517 0.169 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 1.823 19.765 -2.362 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 1.724 19.871 0.047 1.00 0.00 C ATOM 1693 CH2 TRP A 104 1.648 20.482 -1.210 1.00 0.00 C ATOM 0 H TRP A 104 0.465 15.487 -1.512 1.00 0.00 H new ATOM 0 HA TRP A 104 1.424 13.536 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 104 3.096 15.706 0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.264 14.525 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.691 15.312 -3.119 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.290 17.621 -4.212 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.031 18.054 1.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.765 20.240 -3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.583 20.467 0.937 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.447 21.541 -1.272 1.00 0.00 H new ATOM 1704 N MET A 105 0.610 14.137 2.507 1.00 0.00 N ATOM 1705 CA MET A 105 0.272 14.446 3.894 1.00 0.00 C ATOM 1706 C MET A 105 1.210 13.732 4.865 1.00 0.00 C ATOM 1707 O MET A 105 1.898 12.783 4.493 1.00 0.00 O ATOM 1708 CB MET A 105 -1.190 14.102 4.210 1.00 0.00 C ATOM 1709 CG MET A 105 -1.739 12.912 3.439 1.00 0.00 C ATOM 1710 SD MET A 105 -3.510 13.053 3.128 1.00 0.00 S ATOM 1711 CE MET A 105 -4.175 12.468 4.686 1.00 0.00 C ATOM 0 H MET A 105 0.583 13.143 2.280 1.00 0.00 H new ATOM 0 HA MET A 105 0.399 15.521 4.022 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.280 13.900 5.277 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.809 14.973 3.997 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.212 12.823 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.543 11.998 3.999 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.679 11.514 4.531 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.364 12.338 5.402 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.888 13.196 5.074 1.00 0.00 H new ATOM 1721 N SER A 106 1.224 14.192 6.112 1.00 0.00 N ATOM 1722 CA SER A 106 2.071 13.591 7.138 1.00 0.00 C ATOM 1723 C SER A 106 1.507 12.245 7.590 1.00 0.00 C ATOM 1724 O SER A 106 0.337 12.141 7.957 1.00 0.00 O ATOM 1725 CB SER A 106 2.201 14.532 8.336 1.00 0.00 C ATOM 1726 OG SER A 106 3.136 14.032 9.278 1.00 0.00 O ATOM 0 H SER A 106 0.660 14.977 6.437 1.00 0.00 H new ATOM 0 HA SER A 106 3.058 13.424 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.515 15.518 7.995 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.229 14.655 8.814 1.00 0.00 H new ATOM 0 HG SER A 106 3.202 14.652 10.034 1.00 0.00 H new ATOM 1732 N LEU A 107 2.350 11.217 7.557 1.00 0.00 N ATOM 1733 CA LEU A 107 1.942 9.870 7.958 1.00 0.00 C ATOM 1734 C LEU A 107 1.790 9.754 9.475 1.00 0.00 C ATOM 1735 O LEU A 107 1.151 8.827 9.973 1.00 0.00 O ATOM 1736 CB LEU A 107 2.952 8.835 7.462 1.00 0.00 C ATOM 1737 CG LEU A 107 2.367 7.460 7.130 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.966 6.730 8.402 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.174 7.595 6.193 1.00 0.00 C ATOM 0 H LEU A 107 3.322 11.289 7.256 1.00 0.00 H new ATOM 0 HA LEU A 107 0.971 9.676 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.443 9.228 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.723 8.710 8.222 1.00 0.00 H new ATOM 0 HG LEU A 107 3.135 6.875 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.552 5.754 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.842 6.598 9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.216 7.314 8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.773 6.606 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.403 8.200 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.491 8.076 5.267 1.00 0.00 H new ATOM 1751 N VAL A 108 2.384 10.693 10.205 1.00 0.00 N ATOM 1752 CA VAL A 108 2.322 10.692 11.665 1.00 0.00 C ATOM 1753 C VAL A 108 0.882 10.675 12.182 1.00 0.00 C ATOM 1754 O VAL A 108 0.650 10.474 13.374 1.00 0.00 O ATOM 1755 CB VAL A 108 3.047 11.915 12.256 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.169 11.788 13.766 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.418 12.085 11.616 1.00 0.00 C ATOM 0 H VAL A 108 2.916 11.468 9.809 1.00 0.00 H new ATOM 0 HA VAL A 108 2.821 9.778 11.988 1.00 0.00 H new ATOM 0 HB VAL A 108 2.456 12.804 12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.684 12.662 14.164 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.174 11.721 14.207 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.736 10.890 14.011 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.915 12.954 12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.019 11.195 11.801 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.303 12.228 10.542 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.083 10.882 11.289 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.475 10.882 11.691 1.00 0.00 C ATOM 1769 C GLY A 109 -2.313 9.943 10.849 1.00 0.00 C ATOM 1770 O GLY A 109 -3.375 10.317 10.351 1.00 0.00 O ATOM 0 H GLY A 109 0.077 11.049 10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.549 10.591 12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.874 11.893 11.612 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.829 8.719 10.698 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.526 7.703 9.916 1.00 0.00 C ATOM 1776 C LEU A 110 -3.894 7.409 10.537 1.00 0.00 C ATOM 1777 O LEU A 110 -4.002 7.170 11.738 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.664 6.434 9.845 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.411 5.098 9.742 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.891 4.645 11.114 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.576 5.190 8.765 1.00 0.00 C ATOM 0 H LEU A 110 -0.951 8.402 11.109 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.691 8.068 8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.001 6.521 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.031 6.402 10.732 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.714 4.353 9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.418 3.696 11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.034 4.520 11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.564 5.395 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.085 4.228 8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.276 5.953 9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.202 5.455 7.776 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.939 7.456 9.708 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.297 7.221 10.179 1.00 0.00 C ATOM 1795 C ASN A 111 -6.911 5.964 9.567 1.00 0.00 C ATOM 1796 O ASN A 111 -7.383 5.977 8.430 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.169 8.437 9.865 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.587 9.191 11.113 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.564 10.420 11.144 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.971 8.455 12.149 1.00 0.00 N ATOM 0 H ASN A 111 -4.867 7.655 8.710 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.251 7.066 11.257 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.623 9.110 9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.059 8.112 9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.263 8.907 13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.974 7.437 12.078 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.916 4.887 10.346 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.489 3.620 9.907 1.00 0.00 C ATOM 1809 C ALA A 112 -9.017 3.687 9.871 1.00 0.00 C ATOM 1810 O ALA A 112 -9.670 2.834 9.276 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.040 2.486 10.814 1.00 0.00 C ATOM 0 H ALA A 112 -6.528 4.867 11.289 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.130 3.427 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.478 1.549 10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.953 2.409 10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.366 2.686 11.835 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.586 4.698 10.523 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.038 4.853 10.561 1.00 0.00 C ATOM 1819 C ASP A 113 -11.556 5.382 9.228 1.00 0.00 C ATOM 1820 O ASP A 113 -12.676 5.074 8.820 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.480 5.784 11.703 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.333 6.496 12.399 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.377 5.812 12.820 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.395 7.736 12.525 1.00 0.00 O ATOM 0 H ASP A 113 -9.069 5.417 11.029 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.466 3.867 10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.168 6.529 11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.033 5.201 12.440 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.735 6.178 8.552 1.00 0.00 N ATOM 1830 CA ASP A 114 -11.113 6.747 7.263 1.00 0.00 C ATOM 1831 C ASP A 114 -10.569 5.911 6.106 1.00 0.00 C ATOM 1832 O ASP A 114 -10.685 6.303 4.945 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.608 8.184 7.148 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.738 9.195 7.125 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -12.849 8.834 6.683 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.512 10.348 7.549 1.00 0.00 O ATOM 0 H ASP A 114 -9.805 6.444 8.874 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.201 6.743 7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.947 8.402 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -10.015 8.286 6.239 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.970 4.763 6.420 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.410 3.897 5.389 1.00 0.00 C ATOM 1843 C PHE A 115 -10.098 2.529 5.381 1.00 0.00 C ATOM 1844 O PHE A 115 -10.809 2.179 6.322 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.882 3.799 5.565 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.343 2.551 6.210 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -8.025 1.902 7.223 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.119 2.046 5.803 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.497 0.770 7.815 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.587 0.925 6.391 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.273 0.284 7.397 1.00 0.00 C ATOM 0 H PHE A 115 -9.862 4.415 7.373 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.600 4.333 4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.422 3.897 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.555 4.654 6.157 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.979 2.283 7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.575 2.541 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.040 0.267 8.602 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.630 0.546 6.064 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.855 -0.598 7.859 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.913 1.745 4.304 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.538 0.425 4.168 1.00 0.00 C ATOM 1863 C PRO A 116 -10.233 -0.494 5.350 1.00 0.00 C ATOM 1864 O PRO A 116 -9.097 -0.560 5.819 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.928 -0.144 2.877 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.766 0.737 2.561 1.00 0.00 C ATOM 1867 CD PRO A 116 -9.105 2.085 3.126 1.00 0.00 C ATOM 0 HA PRO A 116 -11.625 0.501 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.610 -1.177 3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.655 -0.140 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.849 0.348 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.601 0.795 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.211 2.648 3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.662 2.694 2.414 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.252 -1.222 5.846 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.089 -2.142 6.975 1.00 0.00 C ATOM 1877 C PRO A 117 -10.248 -3.363 6.612 1.00 0.00 C ATOM 1878 O PRO A 117 -9.756 -4.071 7.490 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.522 -2.561 7.306 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.272 -2.384 6.032 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.640 -1.208 5.343 1.00 0.00 C ATOM 0 HA PRO A 117 -10.566 -1.673 7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.563 -3.595 7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.941 -1.944 8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.209 -3.279 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.330 -2.203 6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.675 -1.311 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.148 -0.276 5.591 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.089 -3.604 5.313 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.310 -4.741 4.838 1.00 0.00 C ATOM 1891 C ALA A 118 -7.856 -4.627 5.264 1.00 0.00 C ATOM 1892 O ALA A 118 -7.225 -5.616 5.632 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.413 -4.856 3.325 1.00 0.00 C ATOM 0 H ALA A 118 -10.489 -3.027 4.573 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.721 -5.644 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.826 -5.709 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.456 -4.996 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.030 -3.945 2.864 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.333 -3.415 5.204 1.00 0.00 N ATOM 1900 CA ASN A 119 -5.952 -3.159 5.576 1.00 0.00 C ATOM 1901 C ASN A 119 -5.830 -2.795 7.058 1.00 0.00 C ATOM 1902 O ASN A 119 -4.726 -2.611 7.571 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.405 -2.035 4.703 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.118 -2.416 4.002 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.866 -3.591 3.736 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.293 -1.421 3.701 1.00 0.00 N ATOM 0 H ASN A 119 -7.847 -2.588 4.899 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.370 -4.067 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.153 -1.762 3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.231 -1.153 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.409 -1.616 3.230 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.543 -0.461 3.940 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.973 -2.681 7.737 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.004 -2.327 9.150 1.00 0.00 C ATOM 1915 C GLU A 120 -6.184 -3.280 10.027 1.00 0.00 C ATOM 1916 O GLU A 120 -5.629 -2.854 11.030 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.461 -2.257 9.634 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.889 -3.398 10.548 1.00 0.00 C ATOM 1919 CD GLU A 120 -10.321 -3.255 11.025 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.701 -2.140 11.438 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -11.064 -4.259 10.983 1.00 0.00 O ATOM 0 H GLU A 120 -7.894 -2.831 7.324 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.536 -1.348 9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.609 -1.314 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.117 -2.242 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.779 -4.344 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.224 -3.437 11.411 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.103 -4.581 9.701 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.350 -5.536 10.522 1.00 0.00 C ATOM 1930 C PRO A 121 -3.978 -5.034 10.957 1.00 0.00 C ATOM 1931 O PRO A 121 -3.646 -5.066 12.142 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.176 -6.713 9.577 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.412 -6.697 8.748 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.745 -5.244 8.543 1.00 0.00 C ATOM 0 HA PRO A 121 -5.872 -5.750 11.455 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.282 -6.603 8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.074 -7.651 10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.251 -7.200 7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.227 -7.219 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.352 -4.871 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.822 -5.076 8.529 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.183 -4.567 10.003 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.852 -4.061 10.308 1.00 0.00 C ATOM 1944 C VAL A 122 -1.923 -2.640 10.845 1.00 0.00 C ATOM 1945 O VAL A 122 -1.396 -2.335 11.915 1.00 0.00 O ATOM 1946 CB VAL A 122 -0.921 -4.079 9.068 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.247 -5.026 9.288 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.676 -4.440 7.793 1.00 0.00 C ATOM 0 H VAL A 122 -3.436 -4.528 9.016 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.436 -4.725 11.065 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.532 -3.069 8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.888 -5.024 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.821 -4.700 10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.130 -6.034 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.986 -4.441 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.119 -5.430 7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.464 -3.707 7.617 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.573 -1.771 10.078 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.718 -0.371 10.444 1.00 0.00 C ATOM 1960 C ILE A 123 -3.393 -0.220 11.797 1.00 0.00 C ATOM 1961 O ILE A 123 -3.144 0.736 12.507 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.499 0.409 9.367 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.643 0.544 8.103 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.913 1.781 9.883 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.012 1.912 7.935 1.00 0.00 C ATOM 0 H ILE A 123 -3.011 -2.018 9.190 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.715 0.050 10.514 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.407 -0.144 9.124 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.855 -0.209 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.262 0.330 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.462 2.312 9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.549 1.663 10.760 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.024 2.351 10.153 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.422 1.930 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.794 2.669 7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.366 2.122 8.787 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.229 -1.180 12.153 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.908 -1.142 13.443 1.00 0.00 C ATOM 1979 C ALA A 124 -3.869 -1.017 14.548 1.00 0.00 C ATOM 1980 O ALA A 124 -3.992 -0.194 15.455 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.757 -2.388 13.646 1.00 0.00 C ATOM 0 H ALA A 124 -4.455 -1.990 11.575 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.575 -0.280 13.471 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.253 -2.336 14.615 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.507 -2.450 12.857 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.120 -3.272 13.611 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.864 -1.881 14.471 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.809 -1.920 15.478 1.00 0.00 C ATOM 1989 C LYS A 125 -1.185 -0.541 15.668 1.00 0.00 C ATOM 1990 O LYS A 125 -1.053 -0.065 16.795 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.731 -2.930 15.078 1.00 0.00 C ATOM 1992 CG LYS A 125 0.328 -3.143 16.147 1.00 0.00 C ATOM 1993 CD LYS A 125 1.644 -2.480 15.771 1.00 0.00 C ATOM 1994 CE LYS A 125 2.238 -3.095 14.515 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.194 -4.583 14.548 1.00 0.00 N ATOM 0 H LYS A 125 -2.757 -2.565 13.722 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.255 -2.229 16.423 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.205 -3.885 14.852 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.248 -2.590 14.162 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.025 -2.739 17.096 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.487 -4.211 16.295 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.484 -1.413 15.614 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.351 -2.578 16.595 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.693 -2.735 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.271 -2.765 14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.861 -4.966 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.458 -4.917 15.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.232 -4.907 14.323 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.808 0.100 14.571 1.00 0.00 N ATOM 2010 CA LEU A 126 -0.203 1.433 14.638 1.00 0.00 C ATOM 2011 C LEU A 126 -1.272 2.503 14.852 1.00 0.00 C ATOM 2012 O LEU A 126 -1.091 3.439 15.629 1.00 0.00 O ATOM 2013 CB LEU A 126 0.579 1.727 13.357 1.00 0.00 C ATOM 2014 CG LEU A 126 2.071 1.398 13.420 1.00 0.00 C ATOM 2015 CD1 LEU A 126 2.319 -0.039 12.989 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.866 2.361 12.550 1.00 0.00 C ATOM 0 H LEU A 126 -0.907 -0.274 13.627 1.00 0.00 H new ATOM 0 HA LEU A 126 0.482 1.452 15.485 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.132 1.162 12.539 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.465 2.784 13.114 1.00 0.00 H new ATOM 0 HG LEU A 126 2.405 1.510 14.452 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.386 -0.255 13.040 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.779 -0.716 13.652 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.969 -0.177 11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.926 2.112 12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.529 2.280 11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.713 3.381 12.903 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.371 2.359 14.125 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.487 3.300 14.178 1.00 0.00 C ATOM 2030 C LYS A 127 -3.905 3.552 15.614 1.00 0.00 C ATOM 2031 O LYS A 127 -4.162 4.689 16.009 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.669 2.744 13.396 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.994 3.443 13.678 1.00 0.00 C ATOM 2034 CD LYS A 127 -7.062 2.459 14.127 1.00 0.00 C ATOM 2035 CE LYS A 127 -8.401 3.149 14.335 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.303 4.263 15.319 1.00 0.00 N ATOM 0 H LYS A 127 -2.517 1.584 13.478 1.00 0.00 H new ATOM 0 HA LYS A 127 -3.165 4.242 13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -4.452 2.819 12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.775 1.684 13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.850 4.200 14.448 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -6.331 3.962 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.169 1.671 13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.750 1.980 15.055 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.762 3.536 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.135 2.421 14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.146 4.264 15.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.453 4.135 15.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.241 5.169 14.812 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.952 2.487 16.397 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.317 2.604 17.798 1.00 0.00 C ATOM 2052 C ARG A 128 -3.279 3.452 18.529 1.00 0.00 C ATOM 2053 O ARG A 128 -3.473 3.839 19.681 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.418 1.216 18.433 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.973 1.228 19.850 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.652 -0.064 20.584 1.00 0.00 C ATOM 2057 NE ARG A 128 -5.650 -0.377 21.605 1.00 0.00 N ATOM 2058 CZ ARG A 128 -6.836 -0.919 21.341 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -7.179 -1.209 20.093 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -7.683 -1.173 22.330 1.00 0.00 N ATOM 0 H ARG A 128 -3.743 1.537 16.088 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.289 3.090 17.877 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.053 0.587 17.809 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.429 0.759 18.444 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.556 2.073 20.398 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.053 1.371 19.818 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.597 -0.884 19.868 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.670 0.018 21.050 1.00 0.00 H new ATOM 0 HE ARG A 128 -5.424 -0.168 22.577 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.532 -1.017 19.328 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -8.090 -1.624 19.898 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -7.425 -0.953 23.292 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -8.592 -1.588 22.129 1.00 0.00 H new ATOM 2074 N LEU A 129 -2.176 3.748 17.834 1.00 0.00 N ATOM 2075 CA LEU A 129 -1.098 4.562 18.392 1.00 0.00 C ATOM 2076 C LEU A 129 -0.776 4.152 19.827 1.00 0.00 C ATOM 2077 O LEU A 129 -0.085 3.160 20.060 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.474 6.046 18.342 1.00 0.00 C ATOM 2079 CG LEU A 129 -2.117 6.513 17.029 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.530 7.018 17.274 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -1.272 7.596 16.369 1.00 0.00 C ATOM 0 H LEU A 129 -2.008 3.433 16.879 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.207 4.397 17.786 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.162 6.258 19.160 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.576 6.638 18.519 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.168 5.659 16.354 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.968 7.344 16.331 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.135 6.216 17.697 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.501 7.856 17.970 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.747 7.912 15.440 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.185 8.450 17.041 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.279 7.202 16.153 1.00 0.00 H new