USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 515 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 : B 50 MET CE :methyl 173:sc= 0 (180deg=-0.087) USER MOD Single : B 53 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 TYR OH : rot 30:sc= 0 USER MOD Single : B 65 SER OG : rot 180:sc= 0.002 USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 71 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.52) USER MOD Single : B 73 LYS NZ :NH3+ -157:sc= 2.23 (180deg=1.46) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl -139:sc= -0.0843 (180deg=-0.457) USER MOD Single : B 78 SER OG : rot -48:sc= 0.916 USER MOD Single : B 84 GLN : amide:sc= -0.0143 K(o=-0.014,f=-2.5!) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0.499 K(o=0.5,f=-9.7!) USER MOD Single : B 93 LYS NZ :NH3+ 151:sc= -0.899 (180deg=-2.33!) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ -107:sc= 2.35 (180deg=0.698) USER MOD Single : B 102 GLN : amide:sc= -1.64! C(o=-1.6!,f=-1.9!) USER MOD Single : B 103 SER OG : rot 74:sc= 0.275 USER MOD Single : B 107 THR OG1 : rot 88:sc= 0.0665 USER MOD Single : B 110 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.059) USER MOD Single : B 112 HIS : no HE2:sc= 0.503 K(o=0.5,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO B 48 -4.865 3.231 12.876 1.00 0.00 N ATOM 72 CA PRO B 48 -4.686 4.391 13.726 1.00 0.00 C ATOM 73 C PRO B 48 -5.840 5.380 13.583 1.00 0.00 C ATOM 74 O PRO B 48 -5.971 6.286 14.402 1.00 0.00 O ATOM 75 CB PRO B 48 -3.358 4.999 13.277 1.00 0.00 C ATOM 76 CG PRO B 48 -3.253 4.612 11.803 1.00 0.00 C ATOM 77 CD PRO B 48 -4.018 3.293 11.701 1.00 0.00 C ATOM 0 HA PRO B 48 -4.675 4.125 14.783 1.00 0.00 H new ATOM 0 HB2 PRO B 48 -3.350 6.081 13.407 1.00 0.00 H new ATOM 0 HB3 PRO B 48 -2.522 4.603 13.854 1.00 0.00 H new ATOM 0 HG2 PRO B 48 -3.690 5.376 11.160 1.00 0.00 H new ATOM 0 HG3 PRO B 48 -2.214 4.493 11.496 1.00 0.00 H new ATOM 0 HD2 PRO B 48 -4.613 3.257 10.789 1.00 0.00 H new ATOM 0 HD3 PRO B 48 -3.333 2.446 11.669 1.00 0.00 H new ATOM 85 N VAL B 49 -6.678 5.217 12.553 1.00 0.00 N ATOM 86 CA VAL B 49 -7.832 6.081 12.366 1.00 0.00 C ATOM 87 C VAL B 49 -8.811 5.890 13.517 1.00 0.00 C ATOM 88 O VAL B 49 -9.288 6.863 14.096 1.00 0.00 O ATOM 89 CB VAL B 49 -8.521 5.767 11.034 1.00 0.00 C ATOM 90 CG1 VAL B 49 -9.705 6.716 10.840 1.00 0.00 C ATOM 91 CG2 VAL B 49 -7.544 5.954 9.873 1.00 0.00 C ATOM 0 H VAL B 49 -6.573 4.494 11.841 1.00 0.00 H new ATOM 0 HA VAL B 49 -7.497 7.118 12.349 1.00 0.00 H new ATOM 0 HB VAL B 49 -8.865 4.733 11.052 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -10.197 6.495 9.893 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -10.414 6.584 11.657 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.348 7.746 10.832 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -8.048 5.727 8.933 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.192 6.985 9.856 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.695 5.283 10.000 1.00 0.00 H new ATOM 101 N MET B 50 -9.114 4.632 13.851 1.00 0.00 N ATOM 102 CA MET B 50 -10.108 4.325 14.863 1.00 0.00 C ATOM 103 C MET B 50 -9.605 4.641 16.270 1.00 0.00 C ATOM 104 O MET B 50 -10.333 5.254 17.046 1.00 0.00 O ATOM 105 CB MET B 50 -10.519 2.857 14.732 1.00 0.00 C ATOM 106 CG MET B 50 -11.671 2.525 15.681 1.00 0.00 C ATOM 107 SD MET B 50 -13.130 3.596 15.546 1.00 0.00 S ATOM 108 CE MET B 50 -13.602 3.297 13.823 1.00 0.00 C ATOM 0 H MET B 50 -8.679 3.812 13.429 1.00 0.00 H new ATOM 0 HA MET B 50 -10.980 4.958 14.701 1.00 0.00 H new ATOM 0 HB2 MET B 50 -10.818 2.649 13.705 1.00 0.00 H new ATOM 0 HB3 MET B 50 -9.666 2.215 14.952 1.00 0.00 H new ATOM 0 HG2 MET B 50 -11.980 1.495 15.502 1.00 0.00 H new ATOM 0 HG3 MET B 50 -11.300 2.573 16.705 1.00 0.00 H new ATOM 0 HE1 MET B 50 -14.554 3.785 13.617 1.00 0.00 H new ATOM 0 HE2 MET B 50 -12.836 3.701 13.161 1.00 0.00 H new ATOM 0 HE3 MET B 50 -13.700 2.225 13.653 1.00 0.00 H new ATOM 118 N ILE B 51 -8.377 4.241 16.623 1.00 0.00 N ATOM 119 CA ILE B 51 -7.873 4.524 17.964 1.00 0.00 C ATOM 120 C ILE B 51 -7.802 6.027 18.218 1.00 0.00 C ATOM 121 O ILE B 51 -8.086 6.465 19.330 1.00 0.00 O ATOM 122 CB ILE B 51 -6.515 3.859 18.222 1.00 0.00 C ATOM 123 CG1 ILE B 51 -5.584 3.948 17.014 1.00 0.00 C ATOM 124 CG2 ILE B 51 -6.751 2.406 18.635 1.00 0.00 C ATOM 125 CD1 ILE B 51 -4.184 3.444 17.364 1.00 0.00 C ATOM 0 H ILE B 51 -7.733 3.735 16.015 1.00 0.00 H new ATOM 0 HA ILE B 51 -8.582 4.092 18.670 1.00 0.00 H new ATOM 0 HB ILE B 51 -6.012 4.395 19.027 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.991 3.359 16.192 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -5.527 4.980 16.669 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -5.793 1.921 18.822 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -7.354 2.379 19.542 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -7.274 1.881 17.836 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -3.541 3.518 16.487 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -3.770 4.050 18.170 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -4.241 2.404 17.685 1.00 0.00 H new ATOM 137 N LEU B 52 -7.430 6.825 17.212 1.00 0.00 N ATOM 138 CA LEU B 52 -7.452 8.272 17.352 1.00 0.00 C ATOM 139 C LEU B 52 -8.888 8.694 17.666 1.00 0.00 C ATOM 140 O LEU B 52 -9.139 9.439 18.612 1.00 0.00 O ATOM 141 CB LEU B 52 -6.932 8.906 16.054 1.00 0.00 C ATOM 142 CG LEU B 52 -6.532 10.382 16.181 1.00 0.00 C ATOM 143 CD1 LEU B 52 -5.906 10.825 14.862 1.00 0.00 C ATOM 144 CD2 LEU B 52 -7.714 11.307 16.464 1.00 0.00 C ATOM 0 H LEU B 52 -7.114 6.491 16.302 1.00 0.00 H new ATOM 0 HA LEU B 52 -6.807 8.610 18.163 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -6.069 8.338 15.708 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -7.701 8.816 15.287 1.00 0.00 H new ATOM 0 HG LEU B 52 -5.843 10.455 17.022 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -5.614 11.873 14.932 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.026 10.216 14.654 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.630 10.703 14.056 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -7.361 12.335 16.542 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.437 11.232 15.652 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.189 11.015 17.401 1.00 0.00 H new ATOM 156 N ASN B 53 -9.829 8.205 16.856 1.00 0.00 N ATOM 157 CA ASN B 53 -11.242 8.524 16.952 1.00 0.00 C ATOM 158 C ASN B 53 -11.896 7.991 18.236 1.00 0.00 C ATOM 159 O ASN B 53 -13.041 8.338 18.519 1.00 0.00 O ATOM 160 CB ASN B 53 -11.931 7.953 15.712 1.00 0.00 C ATOM 161 CG ASN B 53 -13.302 8.563 15.487 1.00 0.00 C ATOM 162 OD1 ASN B 53 -14.323 7.913 15.688 1.00 0.00 O ATOM 163 ND2 ASN B 53 -13.327 9.824 15.065 1.00 0.00 N ATOM 0 H ASN B 53 -9.616 7.559 16.096 1.00 0.00 H new ATOM 0 HA ASN B 53 -11.354 9.607 17.000 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -11.307 8.133 14.836 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -12.029 6.873 15.818 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -14.220 10.288 14.896 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -12.453 10.328 14.911 1.00 0.00 H new ATOM 170 N GLU B 54 -11.192 7.160 19.014 1.00 0.00 N ATOM 171 CA GLU B 54 -11.717 6.640 20.272 1.00 0.00 C ATOM 172 C GLU B 54 -11.038 7.296 21.470 1.00 0.00 C ATOM 173 O GLU B 54 -11.556 7.227 22.585 1.00 0.00 O ATOM 174 CB GLU B 54 -11.477 5.133 20.369 1.00 0.00 C ATOM 175 CG GLU B 54 -12.419 4.322 19.483 1.00 0.00 C ATOM 176 CD GLU B 54 -12.229 2.831 19.760 1.00 0.00 C ATOM 177 OE1 GLU B 54 -11.325 2.231 19.135 1.00 0.00 O ATOM 178 OE2 GLU B 54 -12.990 2.297 20.597 1.00 0.00 O ATOM 0 H GLU B 54 -10.252 6.835 18.788 1.00 0.00 H new ATOM 0 HA GLU B 54 -12.784 6.861 20.287 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -10.446 4.916 20.089 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -11.599 4.817 21.405 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -13.453 4.609 19.676 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -12.220 4.535 18.433 1.00 0.00 H new ATOM 185 N LEU B 55 -9.885 7.929 21.250 1.00 0.00 N ATOM 186 CA LEU B 55 -9.108 8.513 22.326 1.00 0.00 C ATOM 187 C LEU B 55 -9.394 10.007 22.433 1.00 0.00 C ATOM 188 O LEU B 55 -9.578 10.522 23.535 1.00 0.00 O ATOM 189 CB LEU B 55 -7.633 8.233 22.038 1.00 0.00 C ATOM 190 CG LEU B 55 -6.795 8.069 23.307 1.00 0.00 C ATOM 191 CD1 LEU B 55 -5.596 7.183 22.972 1.00 0.00 C ATOM 192 CD2 LEU B 55 -6.311 9.417 23.834 1.00 0.00 C ATOM 0 H LEU B 55 -9.472 8.047 20.325 1.00 0.00 H new ATOM 0 HA LEU B 55 -9.378 8.073 23.286 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -7.552 7.328 21.437 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -7.224 9.049 21.442 1.00 0.00 H new ATOM 0 HG LEU B 55 -7.408 7.615 24.085 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -4.981 7.051 23.862 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -5.947 6.211 22.626 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -5.003 7.655 22.189 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -5.719 9.264 24.736 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -5.698 9.905 23.076 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -7.170 10.046 24.067 1.00 0.00 H new ATOM 204 N ARG B 56 -9.433 10.701 21.292 1.00 0.00 N ATOM 205 CA ARG B 56 -9.755 12.119 21.259 1.00 0.00 C ATOM 206 C ARG B 56 -10.312 12.497 19.882 1.00 0.00 C ATOM 207 O ARG B 56 -9.587 13.043 19.051 1.00 0.00 O ATOM 208 CB ARG B 56 -8.505 12.935 21.623 1.00 0.00 C ATOM 209 CG ARG B 56 -8.858 14.224 22.374 1.00 0.00 C ATOM 210 CD ARG B 56 -9.800 15.143 21.597 1.00 0.00 C ATOM 211 NE ARG B 56 -9.213 15.562 20.319 1.00 0.00 N ATOM 212 CZ ARG B 56 -8.489 16.668 20.135 1.00 0.00 C ATOM 213 NH1 ARG B 56 -8.222 17.495 21.146 1.00 0.00 N ATOM 214 NH2 ARG B 56 -8.023 16.954 18.924 1.00 0.00 N ATOM 0 H ARG B 56 -9.243 10.295 20.376 1.00 0.00 H new ATOM 0 HA ARG B 56 -10.527 12.346 21.994 1.00 0.00 H new ATOM 0 HB2 ARG B 56 -7.842 12.327 22.239 1.00 0.00 H new ATOM 0 HB3 ARG B 56 -7.957 13.184 20.714 1.00 0.00 H new ATOM 0 HG2 ARG B 56 -9.320 13.965 23.327 1.00 0.00 H new ATOM 0 HG3 ARG B 56 -7.940 14.766 22.601 1.00 0.00 H new ATOM 0 HD2 ARG B 56 -10.743 14.628 21.413 1.00 0.00 H new ATOM 0 HD3 ARG B 56 -10.029 16.023 22.199 1.00 0.00 H new ATOM 0 HE ARG B 56 -9.370 14.962 19.509 1.00 0.00 H new ATOM 0 HH11 ARG B 56 -8.573 17.287 22.081 1.00 0.00 H new ATOM 0 HH12 ARG B 56 -7.667 18.335 20.985 1.00 0.00 H new ATOM 0 HH21 ARG B 56 -8.219 16.330 18.142 1.00 0.00 H new ATOM 0 HH22 ARG B 56 -7.469 17.798 18.777 1.00 0.00 H new ATOM 228 N PRO B 57 -11.595 12.216 19.620 1.00 0.00 N ATOM 229 CA PRO B 57 -12.248 12.555 18.366 1.00 0.00 C ATOM 230 C PRO B 57 -12.446 14.066 18.256 1.00 0.00 C ATOM 231 O PRO B 57 -12.115 14.808 19.179 1.00 0.00 O ATOM 232 CB PRO B 57 -13.586 11.816 18.400 1.00 0.00 C ATOM 233 CG PRO B 57 -13.897 11.731 19.891 1.00 0.00 C ATOM 234 CD PRO B 57 -12.516 11.548 20.520 1.00 0.00 C ATOM 0 HA PRO B 57 -11.655 12.264 17.499 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -14.360 12.359 17.857 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -13.512 10.827 17.947 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -14.389 12.634 20.253 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -14.558 10.895 20.118 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -12.477 11.985 21.518 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -12.268 10.492 20.624 1.00 0.00 H new ATOM 242 N GLY B 58 -12.987 14.528 17.124 1.00 0.00 N ATOM 243 CA GLY B 58 -13.234 15.944 16.911 1.00 0.00 C ATOM 244 C GLY B 58 -12.164 16.576 16.032 1.00 0.00 C ATOM 245 O GLY B 58 -11.479 17.507 16.454 1.00 0.00 O ATOM 0 H GLY B 58 -13.261 13.933 16.342 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -14.211 16.077 16.447 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -13.265 16.457 17.872 1.00 0.00 H new ATOM 249 N LEU B 59 -12.019 16.066 14.807 1.00 0.00 N ATOM 250 CA LEU B 59 -11.037 16.525 13.846 1.00 0.00 C ATOM 251 C LEU B 59 -11.675 16.684 12.470 1.00 0.00 C ATOM 252 O LEU B 59 -12.882 16.507 12.306 1.00 0.00 O ATOM 253 CB LEU B 59 -9.886 15.521 13.795 1.00 0.00 C ATOM 254 CG LEU B 59 -10.347 14.070 13.910 1.00 0.00 C ATOM 255 CD1 LEU B 59 -11.344 13.694 12.819 1.00 0.00 C ATOM 256 CD2 LEU B 59 -9.103 13.209 13.752 1.00 0.00 C ATOM 0 H LEU B 59 -12.599 15.304 14.456 1.00 0.00 H new ATOM 0 HA LEU B 59 -10.653 17.498 14.151 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -9.342 15.649 12.859 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -9.187 15.738 14.603 1.00 0.00 H new ATOM 0 HG LEU B 59 -10.846 13.922 14.868 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -11.643 12.653 12.942 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -12.223 14.335 12.892 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -10.880 13.825 11.841 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -9.377 12.157 13.826 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -8.651 13.398 12.778 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -8.389 13.454 14.538 1.00 0.00 H new ATOM 268 N LYS B 60 -10.843 17.023 11.485 1.00 0.00 N ATOM 269 CA LYS B 60 -11.256 17.161 10.100 1.00 0.00 C ATOM 270 C LYS B 60 -10.187 16.539 9.210 1.00 0.00 C ATOM 271 O LYS B 60 -9.014 16.555 9.571 1.00 0.00 O ATOM 272 CB LYS B 60 -11.409 18.647 9.772 1.00 0.00 C ATOM 273 CG LYS B 60 -12.517 19.307 10.600 1.00 0.00 C ATOM 274 CD LYS B 60 -12.305 20.818 10.678 1.00 0.00 C ATOM 275 CE LYS B 60 -11.081 21.115 11.548 1.00 0.00 C ATOM 276 NZ LYS B 60 -10.883 22.569 11.705 1.00 0.00 N ATOM 0 H LYS B 60 -9.852 17.211 11.635 1.00 0.00 H new ATOM 0 HA LYS B 60 -12.208 16.658 9.933 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.464 19.158 9.958 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -11.631 18.763 8.711 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -13.488 19.094 10.153 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -12.528 18.884 11.604 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -12.163 21.229 9.678 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -13.189 21.299 11.097 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -11.206 20.654 12.528 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -10.194 20.670 11.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -10.047 22.743 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -10.741 23.003 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -11.722 22.987 12.156 1.00 0.00 H new ATOM 290 N TYR B 61 -10.577 15.995 8.057 1.00 0.00 N ATOM 291 CA TYR B 61 -9.641 15.393 7.116 1.00 0.00 C ATOM 292 C TYR B 61 -9.837 16.008 5.739 1.00 0.00 C ATOM 293 O TYR B 61 -10.924 16.481 5.408 1.00 0.00 O ATOM 294 CB TYR B 61 -9.873 13.881 7.037 1.00 0.00 C ATOM 295 CG TYR B 61 -9.248 13.077 8.152 1.00 0.00 C ATOM 296 CD1 TYR B 61 -9.870 12.996 9.406 1.00 0.00 C ATOM 297 CD2 TYR B 61 -8.035 12.407 7.926 1.00 0.00 C ATOM 298 CE1 TYR B 61 -9.285 12.237 10.431 1.00 0.00 C ATOM 299 CE2 TYR B 61 -7.459 11.625 8.937 1.00 0.00 C ATOM 300 CZ TYR B 61 -8.085 11.538 10.196 1.00 0.00 C ATOM 301 OH TYR B 61 -7.530 10.781 11.185 1.00 0.00 O ATOM 0 H TYR B 61 -11.550 15.961 7.752 1.00 0.00 H new ATOM 0 HA TYR B 61 -8.624 15.580 7.459 1.00 0.00 H new ATOM 0 HB2 TYR B 61 -10.947 13.694 7.033 1.00 0.00 H new ATOM 0 HB3 TYR B 61 -9.483 13.519 6.086 1.00 0.00 H new ATOM 0 HD1 TYR B 61 -10.799 13.518 9.583 1.00 0.00 H new ATOM 0 HD2 TYR B 61 -7.543 12.495 6.968 1.00 0.00 H new ATOM 0 HE1 TYR B 61 -9.756 12.189 11.402 1.00 0.00 H new ATOM 0 HE2 TYR B 61 -6.539 11.091 8.751 1.00 0.00 H new ATOM 0 HH TYR B 61 -8.237 10.436 11.769 1.00 0.00 H new ATOM 311 N ASP B 62 -8.770 15.994 4.939 1.00 0.00 N ATOM 312 CA ASP B 62 -8.817 16.476 3.568 1.00 0.00 C ATOM 313 C ASP B 62 -7.986 15.574 2.660 1.00 0.00 C ATOM 314 O ASP B 62 -6.766 15.526 2.780 1.00 0.00 O ATOM 315 CB ASP B 62 -8.336 17.926 3.496 1.00 0.00 C ATOM 316 CG ASP B 62 -9.332 18.884 4.145 1.00 0.00 C ATOM 317 OD1 ASP B 62 -10.333 19.216 3.471 1.00 0.00 O ATOM 318 OD2 ASP B 62 -9.086 19.277 5.307 1.00 0.00 O ATOM 0 H ASP B 62 -7.854 15.649 5.227 1.00 0.00 H new ATOM 0 HA ASP B 62 -9.849 16.446 3.220 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -7.370 18.014 3.993 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -8.186 18.208 2.454 1.00 0.00 H new ATOM 323 N PHE B 63 -8.648 14.858 1.750 1.00 0.00 N ATOM 324 CA PHE B 63 -7.977 14.040 0.751 1.00 0.00 C ATOM 325 C PHE B 63 -7.245 14.931 -0.248 1.00 0.00 C ATOM 326 O PHE B 63 -7.692 16.042 -0.534 1.00 0.00 O ATOM 327 CB PHE B 63 -9.035 13.206 0.030 1.00 0.00 C ATOM 328 CG PHE B 63 -8.559 12.521 -1.233 1.00 0.00 C ATOM 329 CD1 PHE B 63 -7.999 11.237 -1.176 1.00 0.00 C ATOM 330 CD2 PHE B 63 -8.679 13.174 -2.469 1.00 0.00 C ATOM 331 CE1 PHE B 63 -7.565 10.607 -2.350 1.00 0.00 C ATOM 332 CE2 PHE B 63 -8.242 12.545 -3.642 1.00 0.00 C ATOM 333 CZ PHE B 63 -7.687 11.260 -3.584 1.00 0.00 C ATOM 0 H PHE B 63 -9.666 14.832 1.689 1.00 0.00 H new ATOM 0 HA PHE B 63 -7.246 13.388 1.229 1.00 0.00 H new ATOM 0 HB2 PHE B 63 -9.409 12.448 0.718 1.00 0.00 H new ATOM 0 HB3 PHE B 63 -9.877 13.852 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE B 63 -7.902 10.733 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE B 63 -9.109 14.164 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE B 63 -7.136 9.617 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE B 63 -8.333 13.051 -4.592 1.00 0.00 H new ATOM 0 HZ PHE B 63 -7.354 10.773 -4.489 1.00 0.00 H new ATOM 343 N LEU B 64 -6.120 14.439 -0.776 1.00 0.00 N ATOM 344 CA LEU B 64 -5.322 15.138 -1.770 1.00 0.00 C ATOM 345 C LEU B 64 -5.015 14.204 -2.946 1.00 0.00 C ATOM 346 O LEU B 64 -5.097 12.979 -2.829 1.00 0.00 O ATOM 347 CB LEU B 64 -4.025 15.674 -1.151 1.00 0.00 C ATOM 348 CG LEU B 64 -4.120 17.015 -0.409 1.00 0.00 C ATOM 349 CD1 LEU B 64 -5.000 18.041 -1.122 1.00 0.00 C ATOM 350 CD2 LEU B 64 -4.649 16.834 1.006 1.00 0.00 C ATOM 0 H LEU B 64 -5.738 13.530 -0.516 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.894 15.990 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.645 14.926 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.285 15.776 -1.945 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.099 17.395 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -5.023 18.965 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -4.593 18.243 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -6.012 17.648 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -4.703 17.804 1.501 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -5.644 16.390 0.969 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -3.980 16.179 1.564 1.00 0.00 H new ATOM 362 N SER B 65 -4.660 14.830 -4.074 1.00 0.00 N ATOM 363 CA SER B 65 -4.531 14.242 -5.403 1.00 0.00 C ATOM 364 C SER B 65 -3.658 12.990 -5.491 1.00 0.00 C ATOM 365 O SER B 65 -3.026 12.570 -4.526 1.00 0.00 O ATOM 366 CB SER B 65 -4.006 15.309 -6.364 1.00 0.00 C ATOM 367 OG SER B 65 -4.844 16.446 -6.326 1.00 0.00 O ATOM 0 H SER B 65 -4.442 15.826 -4.078 1.00 0.00 H new ATOM 0 HA SER B 65 -5.530 13.901 -5.675 1.00 0.00 H new ATOM 0 HB2 SER B 65 -2.988 15.588 -6.091 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.966 14.910 -7.377 1.00 0.00 H new ATOM 0 HG SER B 65 -4.501 17.126 -6.943 1.00 0.00 H new ATOM 373 N GLU B 66 -3.636 12.394 -6.687 1.00 0.00 N ATOM 374 CA GLU B 66 -2.960 11.135 -6.959 1.00 0.00 C ATOM 375 C GLU B 66 -1.844 11.283 -7.991 1.00 0.00 C ATOM 376 O GLU B 66 -1.647 12.351 -8.571 1.00 0.00 O ATOM 377 CB GLU B 66 -3.993 10.090 -7.400 1.00 0.00 C ATOM 378 CG GLU B 66 -5.027 10.606 -8.407 1.00 0.00 C ATOM 379 CD GLU B 66 -4.397 11.245 -9.645 1.00 0.00 C ATOM 380 OE1 GLU B 66 -3.789 10.494 -10.439 1.00 0.00 O ATOM 381 OE2 GLU B 66 -4.530 12.481 -9.784 1.00 0.00 O ATOM 0 H GLU B 66 -4.099 12.787 -7.506 1.00 0.00 H new ATOM 0 HA GLU B 66 -2.478 10.802 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -3.468 9.241 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -4.516 9.720 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -5.665 9.779 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -5.669 11.337 -7.916 1.00 0.00 H new ATOM 388 N SER B 67 -1.111 10.188 -8.213 1.00 0.00 N ATOM 389 CA SER B 67 -0.043 10.110 -9.198 1.00 0.00 C ATOM 390 C SER B 67 0.185 8.654 -9.609 1.00 0.00 C ATOM 391 O SER B 67 -0.411 7.743 -9.035 1.00 0.00 O ATOM 392 CB SER B 67 1.240 10.703 -8.612 1.00 0.00 C ATOM 393 OG SER B 67 1.623 9.993 -7.452 1.00 0.00 O ATOM 0 H SER B 67 -1.251 9.317 -7.700 1.00 0.00 H new ATOM 0 HA SER B 67 -0.326 10.681 -10.082 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.039 10.662 -9.352 1.00 0.00 H new ATOM 0 HB3 SER B 67 1.085 11.754 -8.369 1.00 0.00 H new ATOM 0 HG SER B 67 2.446 10.381 -7.088 1.00 0.00 H new ATOM 399 N GLY B 68 1.052 8.439 -10.603 1.00 0.00 N ATOM 400 CA GLY B 68 1.403 7.109 -11.080 1.00 0.00 C ATOM 401 C GLY B 68 0.341 6.525 -12.010 1.00 0.00 C ATOM 402 O GLY B 68 -0.681 7.154 -12.282 1.00 0.00 O ATOM 0 H GLY B 68 1.530 9.191 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY B 68 2.357 7.154 -11.605 1.00 0.00 H new ATOM 0 HA3 GLY B 68 1.540 6.444 -10.227 1.00 0.00 H new ATOM 406 N GLU B 69 0.597 5.308 -12.495 1.00 0.00 N ATOM 407 CA GLU B 69 -0.307 4.575 -13.373 1.00 0.00 C ATOM 408 C GLU B 69 -1.086 3.529 -12.574 1.00 0.00 C ATOM 409 O GLU B 69 -0.835 3.344 -11.386 1.00 0.00 O ATOM 410 CB GLU B 69 0.497 3.932 -14.503 1.00 0.00 C ATOM 411 CG GLU B 69 1.104 5.012 -15.399 1.00 0.00 C ATOM 412 CD GLU B 69 1.871 4.392 -16.565 1.00 0.00 C ATOM 413 OE1 GLU B 69 1.207 3.998 -17.549 1.00 0.00 O ATOM 414 OE2 GLU B 69 3.115 4.317 -16.463 1.00 0.00 O ATOM 0 H GLU B 69 1.455 4.798 -12.283 1.00 0.00 H new ATOM 0 HA GLU B 69 -1.032 5.260 -13.812 1.00 0.00 H new ATOM 0 HB2 GLU B 69 1.288 3.307 -14.087 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -0.147 3.280 -15.092 1.00 0.00 H new ATOM 0 HG2 GLU B 69 0.314 5.658 -15.782 1.00 0.00 H new ATOM 0 HG3 GLU B 69 1.774 5.641 -14.813 1.00 0.00 H new ATOM 421 N SER B 70 -2.035 2.840 -13.215 1.00 0.00 N ATOM 422 CA SER B 70 -2.934 1.890 -12.562 1.00 0.00 C ATOM 423 C SER B 70 -2.232 0.683 -11.931 1.00 0.00 C ATOM 424 O SER B 70 -2.904 -0.166 -11.351 1.00 0.00 O ATOM 425 CB SER B 70 -3.967 1.398 -13.575 1.00 0.00 C ATOM 426 OG SER B 70 -4.744 2.483 -14.033 1.00 0.00 O ATOM 0 H SER B 70 -2.201 2.930 -14.217 1.00 0.00 H new ATOM 0 HA SER B 70 -3.402 2.432 -11.740 1.00 0.00 H new ATOM 0 HB2 SER B 70 -3.465 0.918 -14.415 1.00 0.00 H new ATOM 0 HB3 SER B 70 -4.610 0.647 -13.116 1.00 0.00 H new ATOM 0 HG SER B 70 -5.403 2.162 -14.683 1.00 0.00 H new ATOM 432 N HIS B 71 -0.902 0.587 -12.031 1.00 0.00 N ATOM 433 CA HIS B 71 -0.139 -0.528 -11.478 1.00 0.00 C ATOM 434 C HIS B 71 0.874 -0.053 -10.435 1.00 0.00 C ATOM 435 O HIS B 71 1.603 -0.863 -9.862 1.00 0.00 O ATOM 436 CB HIS B 71 0.551 -1.273 -12.622 1.00 0.00 C ATOM 437 CG HIS B 71 1.450 -0.379 -13.432 1.00 0.00 C ATOM 438 ND1 HIS B 71 1.056 0.414 -14.484 1.00 0.00 N ATOM 439 CD2 HIS B 71 2.797 -0.206 -13.258 1.00 0.00 C ATOM 440 CE1 HIS B 71 2.144 1.069 -14.924 1.00 0.00 C ATOM 441 NE2 HIS B 71 3.231 0.720 -14.213 1.00 0.00 N ATOM 0 H HIS B 71 -0.326 1.285 -12.500 1.00 0.00 H new ATOM 0 HA HIS B 71 -0.821 -1.206 -10.965 1.00 0.00 H new ATOM 0 HB2 HIS B 71 1.136 -2.097 -12.214 1.00 0.00 H new ATOM 0 HB3 HIS B 71 -0.205 -1.710 -13.274 1.00 0.00 H new ATOM 0 HD2 HIS B 71 3.413 -0.695 -12.518 1.00 0.00 H new ATOM 0 HE1 HIS B 71 2.145 1.779 -15.738 1.00 0.00 H new ATOM 0 HE2 HIS B 71 4.183 1.062 -14.344 1.00 0.00 H new ATOM 449 N ALA B 72 0.920 1.259 -10.186 1.00 0.00 N ATOM 450 CA ALA B 72 1.819 1.876 -9.220 1.00 0.00 C ATOM 451 C ALA B 72 1.143 3.086 -8.570 1.00 0.00 C ATOM 452 O ALA B 72 1.807 3.914 -7.945 1.00 0.00 O ATOM 453 CB ALA B 72 3.107 2.285 -9.940 1.00 0.00 C ATOM 0 H ALA B 72 0.319 1.931 -10.663 1.00 0.00 H new ATOM 0 HA ALA B 72 2.062 1.168 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA B 72 3.790 2.749 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA B 72 3.578 1.402 -10.373 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.871 2.995 -10.732 1.00 0.00 H new ATOM 459 N LYS B 73 -0.183 3.183 -8.723 1.00 0.00 N ATOM 460 CA LYS B 73 -0.978 4.331 -8.317 1.00 0.00 C ATOM 461 C LYS B 73 -0.780 4.671 -6.846 1.00 0.00 C ATOM 462 O LYS B 73 -0.568 3.785 -6.019 1.00 0.00 O ATOM 463 CB LYS B 73 -2.453 4.029 -8.609 1.00 0.00 C ATOM 464 CG LYS B 73 -3.271 5.313 -8.765 1.00 0.00 C ATOM 465 CD LYS B 73 -2.971 5.971 -10.113 1.00 0.00 C ATOM 466 CE LYS B 73 -3.598 7.362 -10.164 1.00 0.00 C ATOM 467 NZ LYS B 73 -3.314 8.016 -11.455 1.00 0.00 N ATOM 0 H LYS B 73 -0.741 2.441 -9.145 1.00 0.00 H new ATOM 0 HA LYS B 73 -0.652 5.203 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -2.530 3.435 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -2.869 3.428 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -4.335 5.086 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -3.036 6.003 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -1.893 6.043 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -3.363 5.356 -10.923 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -4.676 7.286 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -3.209 7.972 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -3.389 9.048 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -2.352 7.769 -11.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -4.001 7.693 -12.166 1.00 0.00 H new ATOM 481 N SER B 74 -0.853 5.967 -6.527 1.00 0.00 N ATOM 482 CA SER B 74 -0.762 6.461 -5.164 1.00 0.00 C ATOM 483 C SER B 74 -1.722 7.631 -4.970 1.00 0.00 C ATOM 484 O SER B 74 -2.139 8.268 -5.936 1.00 0.00 O ATOM 485 CB SER B 74 0.671 6.904 -4.859 1.00 0.00 C ATOM 486 OG SER B 74 1.554 5.804 -4.935 1.00 0.00 O ATOM 0 H SER B 74 -0.978 6.704 -7.221 1.00 0.00 H new ATOM 0 HA SER B 74 -1.036 5.659 -4.479 1.00 0.00 H new ATOM 0 HB2 SER B 74 0.978 7.674 -5.566 1.00 0.00 H new ATOM 0 HB3 SER B 74 0.717 7.347 -3.864 1.00 0.00 H new ATOM 0 HG SER B 74 2.467 6.103 -4.739 1.00 0.00 H new ATOM 492 N PHE B 75 -2.067 7.904 -3.711 1.00 0.00 N ATOM 493 CA PHE B 75 -3.005 8.940 -3.305 1.00 0.00 C ATOM 494 C PHE B 75 -2.506 9.549 -2.002 1.00 0.00 C ATOM 495 O PHE B 75 -1.530 9.056 -1.438 1.00 0.00 O ATOM 496 CB PHE B 75 -4.386 8.314 -3.093 1.00 0.00 C ATOM 497 CG PHE B 75 -4.851 7.470 -4.254 1.00 0.00 C ATOM 498 CD1 PHE B 75 -4.382 6.155 -4.387 1.00 0.00 C ATOM 499 CD2 PHE B 75 -5.743 7.996 -5.198 1.00 0.00 C ATOM 500 CE1 PHE B 75 -4.772 5.379 -5.485 1.00 0.00 C ATOM 501 CE2 PHE B 75 -6.135 7.221 -6.296 1.00 0.00 C ATOM 502 CZ PHE B 75 -5.641 5.918 -6.443 1.00 0.00 C ATOM 0 H PHE B 75 -1.684 7.387 -2.919 1.00 0.00 H new ATOM 0 HA PHE B 75 -3.080 9.712 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE B 75 -4.363 7.699 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE B 75 -5.112 9.108 -2.917 1.00 0.00 H new ATOM 0 HD1 PHE B 75 -3.719 5.741 -3.642 1.00 0.00 H new ATOM 0 HD2 PHE B 75 -6.128 8.998 -5.079 1.00 0.00 H new ATOM 0 HE1 PHE B 75 -4.405 4.369 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE B 75 -6.817 7.627 -7.029 1.00 0.00 H new ATOM 0 HZ PHE B 75 -5.931 5.326 -7.299 1.00 0.00 H new ATOM 512 N VAL B 76 -3.151 10.610 -1.504 1.00 0.00 N ATOM 513 CA VAL B 76 -2.744 11.130 -0.206 1.00 0.00 C ATOM 514 C VAL B 76 -3.929 11.708 0.556 1.00 0.00 C ATOM 515 O VAL B 76 -4.955 12.053 -0.023 1.00 0.00 O ATOM 516 CB VAL B 76 -1.570 12.113 -0.383 1.00 0.00 C ATOM 517 CG1 VAL B 76 -1.717 12.968 -1.638 1.00 0.00 C ATOM 518 CG2 VAL B 76 -1.359 13.039 0.816 1.00 0.00 C ATOM 0 H VAL B 76 -3.920 11.102 -1.958 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.379 10.315 0.418 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.694 11.471 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.866 13.644 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.753 12.323 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.637 13.549 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -0.517 13.702 0.620 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.258 13.633 0.980 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.152 12.442 1.704 1.00 0.00 H new ATOM 528 N MET B 77 -3.764 11.807 1.875 1.00 0.00 N ATOM 529 CA MET B 77 -4.713 12.418 2.783 1.00 0.00 C ATOM 530 C MET B 77 -3.974 13.455 3.612 1.00 0.00 C ATOM 531 O MET B 77 -2.755 13.391 3.769 1.00 0.00 O ATOM 532 CB MET B 77 -5.269 11.367 3.752 1.00 0.00 C ATOM 533 CG MET B 77 -6.216 10.358 3.106 1.00 0.00 C ATOM 534 SD MET B 77 -7.731 11.059 2.408 1.00 0.00 S ATOM 535 CE MET B 77 -8.462 11.797 3.893 1.00 0.00 C ATOM 0 H MET B 77 -2.935 11.449 2.349 1.00 0.00 H new ATOM 0 HA MET B 77 -5.526 12.861 2.208 1.00 0.00 H new ATOM 0 HB2 MET B 77 -4.436 10.829 4.203 1.00 0.00 H new ATOM 0 HB3 MET B 77 -5.795 11.876 4.560 1.00 0.00 H new ATOM 0 HG2 MET B 77 -5.679 9.835 2.315 1.00 0.00 H new ATOM 0 HG3 MET B 77 -6.490 9.612 3.852 1.00 0.00 H new ATOM 0 HE1 MET B 77 -9.537 11.616 3.898 1.00 0.00 H new ATOM 0 HE2 MET B 77 -8.015 11.349 4.780 1.00 0.00 H new ATOM 0 HE3 MET B 77 -8.275 12.871 3.896 1.00 0.00 H new ATOM 545 N SER B 78 -4.727 14.412 4.142 1.00 0.00 N ATOM 546 CA SER B 78 -4.245 15.330 5.153 1.00 0.00 C ATOM 547 C SER B 78 -5.300 15.425 6.247 1.00 0.00 C ATOM 548 O SER B 78 -6.412 14.926 6.084 1.00 0.00 O ATOM 549 CB SER B 78 -3.920 16.690 4.538 1.00 0.00 C ATOM 550 OG SER B 78 -5.090 17.302 4.050 1.00 0.00 O ATOM 0 H SER B 78 -5.699 14.569 3.875 1.00 0.00 H new ATOM 0 HA SER B 78 -3.315 14.965 5.590 1.00 0.00 H new ATOM 0 HB2 SER B 78 -3.451 17.331 5.285 1.00 0.00 H new ATOM 0 HB3 SER B 78 -3.202 16.567 3.728 1.00 0.00 H new ATOM 0 HG SER B 78 -5.596 16.658 3.512 1.00 0.00 H new ATOM 556 N VAL B 79 -4.963 16.066 7.365 1.00 0.00 N ATOM 557 CA VAL B 79 -5.882 16.176 8.486 1.00 0.00 C ATOM 558 C VAL B 79 -5.650 17.496 9.208 1.00 0.00 C ATOM 559 O VAL B 79 -4.627 18.149 9.007 1.00 0.00 O ATOM 560 CB VAL B 79 -5.659 15.028 9.482 1.00 0.00 C ATOM 561 CG1 VAL B 79 -6.929 14.683 10.256 1.00 0.00 C ATOM 562 CG2 VAL B 79 -5.045 13.768 8.877 1.00 0.00 C ATOM 0 H VAL B 79 -4.060 16.515 7.514 1.00 0.00 H new ATOM 0 HA VAL B 79 -6.901 16.128 8.101 1.00 0.00 H new ATOM 0 HB VAL B 79 -4.916 15.421 10.177 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -6.723 13.866 10.948 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -7.263 15.557 10.815 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -7.709 14.379 9.558 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.925 13.013 9.654 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.700 13.383 8.095 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.071 14.007 8.449 1.00 0.00 H new ATOM 572 N VAL B 80 -6.609 17.876 10.050 1.00 0.00 N ATOM 573 CA VAL B 80 -6.490 18.998 10.961 1.00 0.00 C ATOM 574 C VAL B 80 -7.022 18.535 12.306 1.00 0.00 C ATOM 575 O VAL B 80 -8.225 18.340 12.473 1.00 0.00 O ATOM 576 CB VAL B 80 -7.243 20.227 10.453 1.00 0.00 C ATOM 577 CG1 VAL B 80 -7.153 21.351 11.484 1.00 0.00 C ATOM 578 CG2 VAL B 80 -6.636 20.729 9.144 1.00 0.00 C ATOM 0 H VAL B 80 -7.508 17.398 10.114 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.448 19.307 11.045 1.00 0.00 H new ATOM 0 HB VAL B 80 -8.282 19.942 10.288 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.691 22.225 11.117 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -7.596 21.020 12.423 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.107 21.611 11.648 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.187 21.604 8.800 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -5.592 20.998 9.306 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.695 19.943 8.391 1.00 0.00 H new ATOM 588 N VAL B 81 -6.110 18.361 13.263 1.00 0.00 N ATOM 589 CA VAL B 81 -6.444 17.815 14.571 1.00 0.00 C ATOM 590 C VAL B 81 -5.917 18.736 15.664 1.00 0.00 C ATOM 591 O VAL B 81 -4.730 19.054 15.682 1.00 0.00 O ATOM 592 CB VAL B 81 -5.837 16.414 14.718 1.00 0.00 C ATOM 593 CG1 VAL B 81 -6.334 15.758 16.006 1.00 0.00 C ATOM 594 CG2 VAL B 81 -6.220 15.526 13.535 1.00 0.00 C ATOM 0 H VAL B 81 -5.124 18.595 13.150 1.00 0.00 H new ATOM 0 HA VAL B 81 -7.527 17.741 14.666 1.00 0.00 H new ATOM 0 HB VAL B 81 -4.753 16.522 14.749 1.00 0.00 H new ATOM 0 HG11 VAL B 81 -5.897 14.764 16.100 1.00 0.00 H new ATOM 0 HG12 VAL B 81 -6.040 16.366 16.861 1.00 0.00 H new ATOM 0 HG13 VAL B 81 -7.420 15.675 15.976 1.00 0.00 H new ATOM 0 HG21 VAL B 81 -5.777 14.538 13.663 1.00 0.00 H new ATOM 0 HG22 VAL B 81 -7.305 15.434 13.486 1.00 0.00 H new ATOM 0 HG23 VAL B 81 -5.851 15.972 12.611 1.00 0.00 H new ATOM 604 N ASP B 82 -6.799 19.163 16.572 1.00 0.00 N ATOM 605 CA ASP B 82 -6.469 20.054 17.681 1.00 0.00 C ATOM 606 C ASP B 82 -5.932 21.413 17.213 1.00 0.00 C ATOM 607 O ASP B 82 -5.520 22.232 18.031 1.00 0.00 O ATOM 608 CB ASP B 82 -5.497 19.341 18.627 1.00 0.00 C ATOM 609 CG ASP B 82 -5.539 19.937 20.031 1.00 0.00 C ATOM 610 OD1 ASP B 82 -6.596 19.774 20.682 1.00 0.00 O ATOM 611 OD2 ASP B 82 -4.525 20.545 20.441 1.00 0.00 O ATOM 0 H ASP B 82 -7.782 18.892 16.554 1.00 0.00 H new ATOM 0 HA ASP B 82 -7.387 20.284 18.222 1.00 0.00 H new ATOM 0 HB2 ASP B 82 -5.746 18.281 18.674 1.00 0.00 H new ATOM 0 HB3 ASP B 82 -4.484 19.413 18.231 1.00 0.00 H new ATOM 616 N GLY B 83 -5.937 21.651 15.898 1.00 0.00 N ATOM 617 CA GLY B 83 -5.442 22.875 15.286 1.00 0.00 C ATOM 618 C GLY B 83 -4.163 22.631 14.494 1.00 0.00 C ATOM 619 O GLY B 83 -3.742 23.493 13.722 1.00 0.00 O ATOM 0 H GLY B 83 -6.295 20.979 15.219 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -6.206 23.287 14.626 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -5.254 23.619 16.060 1.00 0.00 H new ATOM 623 N GLN B 84 -3.542 21.463 14.679 1.00 0.00 N ATOM 624 CA GLN B 84 -2.355 21.081 13.937 1.00 0.00 C ATOM 625 C GLN B 84 -2.758 20.577 12.552 1.00 0.00 C ATOM 626 O GLN B 84 -3.945 20.434 12.267 1.00 0.00 O ATOM 627 CB GLN B 84 -1.606 19.991 14.705 1.00 0.00 C ATOM 628 CG GLN B 84 -1.106 20.534 16.041 1.00 0.00 C ATOM 629 CD GLN B 84 -0.280 19.503 16.801 1.00 0.00 C ATOM 630 OE1 GLN B 84 0.651 18.919 16.256 1.00 0.00 O ATOM 631 NE2 GLN B 84 -0.614 19.271 18.068 1.00 0.00 N ATOM 0 H GLN B 84 -3.854 20.761 15.350 1.00 0.00 H new ATOM 0 HA GLN B 84 -1.700 21.944 13.818 1.00 0.00 H new ATOM 0 HB2 GLN B 84 -2.264 19.138 14.874 1.00 0.00 H new ATOM 0 HB3 GLN B 84 -0.764 19.632 14.113 1.00 0.00 H new ATOM 0 HG2 GLN B 84 -0.503 21.426 15.868 1.00 0.00 H new ATOM 0 HG3 GLN B 84 -1.957 20.838 16.651 1.00 0.00 H new ATOM 0 HE21 GLN B 84 -1.394 19.775 18.490 1.00 0.00 H new ATOM 0 HE22 GLN B 84 -0.090 18.590 18.617 1.00 0.00 H new ATOM 640 N PHE B 85 -1.776 20.306 11.689 1.00 0.00 N ATOM 641 CA PHE B 85 -2.027 19.791 10.351 1.00 0.00 C ATOM 642 C PHE B 85 -1.093 18.619 10.070 1.00 0.00 C ATOM 643 O PHE B 85 0.048 18.607 10.531 1.00 0.00 O ATOM 644 CB PHE B 85 -1.822 20.909 9.328 1.00 0.00 C ATOM 645 CG PHE B 85 -1.887 20.438 7.890 1.00 0.00 C ATOM 646 CD1 PHE B 85 -3.120 20.364 7.228 1.00 0.00 C ATOM 647 CD2 PHE B 85 -0.710 20.073 7.219 1.00 0.00 C ATOM 648 CE1 PHE B 85 -3.176 19.925 5.899 1.00 0.00 C ATOM 649 CE2 PHE B 85 -0.765 19.639 5.888 1.00 0.00 C ATOM 650 CZ PHE B 85 -2.000 19.568 5.227 1.00 0.00 C ATOM 0 H PHE B 85 -0.788 20.439 11.903 1.00 0.00 H new ATOM 0 HA PHE B 85 -3.055 19.437 10.277 1.00 0.00 H new ATOM 0 HB2 PHE B 85 -2.580 21.676 9.484 1.00 0.00 H new ATOM 0 HB3 PHE B 85 -0.854 21.378 9.504 1.00 0.00 H new ATOM 0 HD1 PHE B 85 -4.027 20.645 7.742 1.00 0.00 H new ATOM 0 HD2 PHE B 85 0.240 20.127 7.730 1.00 0.00 H new ATOM 0 HE1 PHE B 85 -4.127 19.862 5.392 1.00 0.00 H new ATOM 0 HE2 PHE B 85 0.142 19.360 5.372 1.00 0.00 H new ATOM 0 HZ PHE B 85 -2.044 19.238 4.200 1.00 0.00 H new ATOM 660 N PHE B 86 -1.580 17.636 9.309 1.00 0.00 N ATOM 661 CA PHE B 86 -0.816 16.437 8.992 1.00 0.00 C ATOM 662 C PHE B 86 -1.057 15.983 7.557 1.00 0.00 C ATOM 663 O PHE B 86 -1.985 16.453 6.903 1.00 0.00 O ATOM 664 CB PHE B 86 -1.212 15.339 9.979 1.00 0.00 C ATOM 665 CG PHE B 86 -0.924 15.720 11.411 1.00 0.00 C ATOM 666 CD1 PHE B 86 0.326 15.420 11.966 1.00 0.00 C ATOM 667 CD2 PHE B 86 -1.894 16.377 12.181 1.00 0.00 C ATOM 668 CE1 PHE B 86 0.607 15.778 13.290 1.00 0.00 C ATOM 669 CE2 PHE B 86 -1.608 16.747 13.504 1.00 0.00 C ATOM 670 CZ PHE B 86 -0.357 16.439 14.062 1.00 0.00 C ATOM 0 H PHE B 86 -2.513 17.653 8.898 1.00 0.00 H new ATOM 0 HA PHE B 86 0.248 16.655 9.080 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -2.275 15.123 9.870 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -0.674 14.423 9.734 1.00 0.00 H new ATOM 0 HD1 PHE B 86 1.073 14.913 11.373 1.00 0.00 H new ATOM 0 HD2 PHE B 86 -2.862 16.598 11.756 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.571 15.544 13.718 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -2.349 17.268 14.092 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.138 16.711 15.084 1.00 0.00 H new ATOM 680 N GLU B 87 -0.218 15.064 7.069 1.00 0.00 N ATOM 681 CA GLU B 87 -0.312 14.522 5.722 1.00 0.00 C ATOM 682 C GLU B 87 0.154 13.063 5.718 1.00 0.00 C ATOM 683 O GLU B 87 0.845 12.630 6.640 1.00 0.00 O ATOM 684 CB GLU B 87 0.545 15.390 4.792 1.00 0.00 C ATOM 685 CG GLU B 87 0.344 15.036 3.319 1.00 0.00 C ATOM 686 CD GLU B 87 1.129 15.990 2.423 1.00 0.00 C ATOM 687 OE1 GLU B 87 2.322 15.703 2.179 1.00 0.00 O ATOM 688 OE2 GLU B 87 0.531 17.000 1.988 1.00 0.00 O ATOM 0 H GLU B 87 0.554 14.675 7.611 1.00 0.00 H new ATOM 0 HA GLU B 87 -1.343 14.538 5.370 1.00 0.00 H new ATOM 0 HB2 GLU B 87 0.297 16.440 4.948 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.596 15.269 5.052 1.00 0.00 H new ATOM 0 HG2 GLU B 87 0.668 14.011 3.139 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -0.716 15.084 3.070 1.00 0.00 H new ATOM 695 N GLY B 88 -0.221 12.303 4.685 1.00 0.00 N ATOM 696 CA GLY B 88 0.152 10.900 4.565 1.00 0.00 C ATOM 697 C GLY B 88 -0.309 10.314 3.234 1.00 0.00 C ATOM 698 O GLY B 88 -1.507 10.245 2.970 1.00 0.00 O ATOM 0 H GLY B 88 -0.791 12.647 3.912 1.00 0.00 H new ATOM 0 HA2 GLY B 88 1.234 10.801 4.653 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -0.288 10.333 5.386 1.00 0.00 H new ATOM 702 N SER B 89 0.638 9.892 2.393 1.00 0.00 N ATOM 703 CA SER B 89 0.328 9.267 1.113 1.00 0.00 C ATOM 704 C SER B 89 0.280 7.745 1.238 1.00 0.00 C ATOM 705 O SER B 89 0.702 7.187 2.250 1.00 0.00 O ATOM 706 CB SER B 89 1.363 9.697 0.071 1.00 0.00 C ATOM 707 OG SER B 89 2.658 9.293 0.468 1.00 0.00 O ATOM 0 H SER B 89 1.637 9.975 2.583 1.00 0.00 H new ATOM 0 HA SER B 89 -0.660 9.597 0.792 1.00 0.00 H new ATOM 0 HB2 SER B 89 1.119 9.258 -0.896 1.00 0.00 H new ATOM 0 HB3 SER B 89 1.335 10.779 -0.054 1.00 0.00 H new ATOM 0 HG SER B 89 3.310 9.573 -0.208 1.00 0.00 H new ATOM 713 N GLY B 90 -0.235 7.071 0.205 1.00 0.00 N ATOM 714 CA GLY B 90 -0.319 5.618 0.183 1.00 0.00 C ATOM 715 C GLY B 90 -0.817 5.101 -1.165 1.00 0.00 C ATOM 716 O GLY B 90 -1.251 5.883 -2.007 1.00 0.00 O ATOM 0 H GLY B 90 -0.602 7.521 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY B 90 0.662 5.194 0.395 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -0.990 5.280 0.973 1.00 0.00 H new ATOM 720 N ARG B 91 -0.755 3.781 -1.369 1.00 0.00 N ATOM 721 CA ARG B 91 -1.190 3.148 -2.612 1.00 0.00 C ATOM 722 C ARG B 91 -2.707 3.182 -2.792 1.00 0.00 C ATOM 723 O ARG B 91 -3.190 2.972 -3.902 1.00 0.00 O ATOM 724 CB ARG B 91 -0.705 1.699 -2.660 1.00 0.00 C ATOM 725 CG ARG B 91 -1.076 0.941 -1.380 1.00 0.00 C ATOM 726 CD ARG B 91 -0.795 -0.554 -1.515 1.00 0.00 C ATOM 727 NE ARG B 91 0.588 -0.816 -1.930 1.00 0.00 N ATOM 728 CZ ARG B 91 0.948 -1.238 -3.147 1.00 0.00 C ATOM 729 NH1 ARG B 91 0.039 -1.470 -4.093 1.00 0.00 N ATOM 730 NH2 ARG B 91 2.235 -1.434 -3.424 1.00 0.00 N ATOM 0 H ARG B 91 -0.401 3.123 -0.674 1.00 0.00 H new ATOM 0 HA ARG B 91 -0.750 3.721 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -1.143 1.196 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG B 91 0.376 1.680 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -0.511 1.344 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -2.132 1.095 -1.157 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -0.988 -1.047 -0.562 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -1.481 -0.988 -2.243 1.00 0.00 H new ATOM 0 HE ARG B 91 1.326 -0.666 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -0.951 -1.326 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG B 91 0.333 -1.791 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG B 91 2.942 -1.262 -2.709 1.00 0.00 H new ATOM 0 HH22 ARG B 91 2.514 -1.756 -4.351 1.00 0.00 H new ATOM 744 N ASN B 92 -3.456 3.446 -1.719 1.00 0.00 N ATOM 745 CA ASN B 92 -4.907 3.550 -1.763 1.00 0.00 C ATOM 746 C ASN B 92 -5.368 4.574 -0.722 1.00 0.00 C ATOM 747 O ASN B 92 -4.571 5.009 0.111 1.00 0.00 O ATOM 748 CB ASN B 92 -5.539 2.169 -1.537 1.00 0.00 C ATOM 749 CG ASN B 92 -5.192 1.575 -0.182 1.00 0.00 C ATOM 750 OD1 ASN B 92 -5.494 2.163 0.849 1.00 0.00 O ATOM 751 ND2 ASN B 92 -4.557 0.407 -0.166 1.00 0.00 N ATOM 0 H ASN B 92 -3.064 3.594 -0.789 1.00 0.00 H new ATOM 0 HA ASN B 92 -5.232 3.896 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -6.622 2.252 -1.625 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -5.206 1.490 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -4.307 -0.025 0.723 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -4.320 -0.057 -1.043 1.00 0.00 H new ATOM 758 N LYS B 93 -6.646 4.965 -0.757 1.00 0.00 N ATOM 759 CA LYS B 93 -7.151 6.004 0.137 1.00 0.00 C ATOM 760 C LYS B 93 -7.160 5.593 1.613 1.00 0.00 C ATOM 761 O LYS B 93 -7.090 6.460 2.481 1.00 0.00 O ATOM 762 CB LYS B 93 -8.537 6.494 -0.310 1.00 0.00 C ATOM 763 CG LYS B 93 -9.692 5.507 -0.067 1.00 0.00 C ATOM 764 CD LYS B 93 -9.805 4.351 -1.070 1.00 0.00 C ATOM 765 CE LYS B 93 -10.491 4.757 -2.382 1.00 0.00 C ATOM 766 NZ LYS B 93 -9.676 5.681 -3.190 1.00 0.00 N ATOM 0 H LYS B 93 -7.344 4.578 -1.392 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.446 6.832 0.061 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.761 7.425 0.211 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.497 6.726 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.581 5.086 0.932 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.629 6.064 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -8.808 3.971 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.363 3.534 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -10.705 3.862 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.448 5.227 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.897 5.549 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -9.887 6.661 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.667 5.486 -3.029 1.00 0.00 H new ATOM 780 N LYS B 94 -7.243 4.292 1.916 1.00 0.00 N ATOM 781 CA LYS B 94 -7.261 3.822 3.297 1.00 0.00 C ATOM 782 C LYS B 94 -5.872 3.943 3.914 1.00 0.00 C ATOM 783 O LYS B 94 -5.719 4.478 5.011 1.00 0.00 O ATOM 784 CB LYS B 94 -7.706 2.357 3.352 1.00 0.00 C ATOM 785 CG LYS B 94 -9.172 2.187 2.948 1.00 0.00 C ATOM 786 CD LYS B 94 -9.533 0.700 2.895 1.00 0.00 C ATOM 787 CE LYS B 94 -9.345 0.035 4.261 1.00 0.00 C ATOM 788 NZ LYS B 94 -9.563 -1.420 4.182 1.00 0.00 N ATOM 0 H LYS B 94 -7.299 3.549 1.219 1.00 0.00 H new ATOM 0 HA LYS B 94 -7.964 4.438 3.859 1.00 0.00 H new ATOM 0 HB2 LYS B 94 -7.076 1.762 2.690 1.00 0.00 H new ATOM 0 HB3 LYS B 94 -7.561 1.972 4.361 1.00 0.00 H new ATOM 0 HG2 LYS B 94 -9.816 2.701 3.662 1.00 0.00 H new ATOM 0 HG3 LYS B 94 -9.345 2.646 1.975 1.00 0.00 H new ATOM 0 HD2 LYS B 94 -10.568 0.586 2.571 1.00 0.00 H new ATOM 0 HD3 LYS B 94 -8.910 0.198 2.155 1.00 0.00 H new ATOM 0 HE2 LYS B 94 -8.339 0.235 4.630 1.00 0.00 H new ATOM 0 HE3 LYS B 94 -10.040 0.471 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 94 -9.429 -1.843 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 94 -10.531 -1.609 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 94 -8.883 -1.837 3.515 1.00 0.00 H new ATOM 802 N LEU B 95 -4.860 3.443 3.200 1.00 0.00 N ATOM 803 CA LEU B 95 -3.476 3.438 3.645 1.00 0.00 C ATOM 804 C LEU B 95 -2.983 4.874 3.803 1.00 0.00 C ATOM 805 O LEU B 95 -2.250 5.185 4.739 1.00 0.00 O ATOM 806 CB LEU B 95 -2.672 2.639 2.611 1.00 0.00 C ATOM 807 CG LEU B 95 -1.287 2.151 3.054 1.00 0.00 C ATOM 808 CD1 LEU B 95 -0.223 3.242 2.974 1.00 0.00 C ATOM 809 CD2 LEU B 95 -1.314 1.557 4.460 1.00 0.00 C ATOM 0 H LEU B 95 -4.989 3.024 2.279 1.00 0.00 H new ATOM 0 HA LEU B 95 -3.359 2.967 4.621 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -3.262 1.771 2.316 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -2.548 3.258 1.722 1.00 0.00 H new ATOM 0 HG LEU B 95 -1.015 1.367 2.348 1.00 0.00 H new ATOM 0 HD11 LEU B 95 0.736 2.839 3.299 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -0.139 3.594 1.946 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -0.505 4.074 3.620 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -0.313 1.224 4.734 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -1.651 2.314 5.168 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -1.998 0.708 4.483 1.00 0.00 H new ATOM 821 N ALA B 96 -3.390 5.752 2.882 1.00 0.00 N ATOM 822 CA ALA B 96 -3.074 7.169 2.953 1.00 0.00 C ATOM 823 C ALA B 96 -3.613 7.780 4.247 1.00 0.00 C ATOM 824 O ALA B 96 -2.876 8.457 4.964 1.00 0.00 O ATOM 825 CB ALA B 96 -3.655 7.868 1.725 1.00 0.00 C ATOM 0 H ALA B 96 -3.948 5.494 2.068 1.00 0.00 H new ATOM 0 HA ALA B 96 -1.992 7.303 2.960 1.00 0.00 H new ATOM 0 HB1 ALA B 96 -3.423 8.932 1.769 1.00 0.00 H new ATOM 0 HB2 ALA B 96 -3.220 7.439 0.822 1.00 0.00 H new ATOM 0 HB3 ALA B 96 -4.736 7.732 1.707 1.00 0.00 H new ATOM 831 N LYS B 97 -4.896 7.551 4.561 1.00 0.00 N ATOM 832 CA LYS B 97 -5.482 8.069 5.791 1.00 0.00 C ATOM 833 C LYS B 97 -4.810 7.446 7.005 1.00 0.00 C ATOM 834 O LYS B 97 -4.657 8.116 8.019 1.00 0.00 O ATOM 835 CB LYS B 97 -6.983 7.784 5.820 1.00 0.00 C ATOM 836 CG LYS B 97 -7.682 8.705 6.823 1.00 0.00 C ATOM 837 CD LYS B 97 -9.051 8.133 7.190 1.00 0.00 C ATOM 838 CE LYS B 97 -9.705 8.949 8.306 1.00 0.00 C ATOM 839 NZ LYS B 97 -10.245 10.222 7.800 1.00 0.00 N ATOM 0 H LYS B 97 -5.539 7.013 3.980 1.00 0.00 H new ATOM 0 HA LYS B 97 -5.325 9.147 5.821 1.00 0.00 H new ATOM 0 HB2 LYS B 97 -7.407 7.930 4.826 1.00 0.00 H new ATOM 0 HB3 LYS B 97 -7.157 6.743 6.091 1.00 0.00 H new ATOM 0 HG2 LYS B 97 -7.071 8.811 7.719 1.00 0.00 H new ATOM 0 HG3 LYS B 97 -7.797 9.701 6.396 1.00 0.00 H new ATOM 0 HD2 LYS B 97 -9.696 8.131 6.311 1.00 0.00 H new ATOM 0 HD3 LYS B 97 -8.942 7.096 7.509 1.00 0.00 H new ATOM 0 HE2 LYS B 97 -10.507 8.368 8.761 1.00 0.00 H new ATOM 0 HE3 LYS B 97 -8.973 9.149 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 -9.642 11.007 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 -10.265 10.202 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 -11.210 10.358 8.162 1.00 0.00 H new ATOM 853 N ALA B 98 -4.404 6.176 6.922 1.00 0.00 N ATOM 854 CA ALA B 98 -3.767 5.516 8.047 1.00 0.00 C ATOM 855 C ALA B 98 -2.420 6.164 8.352 1.00 0.00 C ATOM 856 O ALA B 98 -2.008 6.215 9.508 1.00 0.00 O ATOM 857 CB ALA B 98 -3.597 4.030 7.730 1.00 0.00 C ATOM 0 H ALA B 98 -4.507 5.594 6.091 1.00 0.00 H new ATOM 0 HA ALA B 98 -4.395 5.621 8.932 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -3.119 3.531 8.573 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -4.574 3.582 7.550 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -2.976 3.916 6.841 1.00 0.00 H new ATOM 863 N ARG B 99 -1.727 6.662 7.323 1.00 0.00 N ATOM 864 CA ARG B 99 -0.443 7.324 7.492 1.00 0.00 C ATOM 865 C ARG B 99 -0.628 8.726 8.069 1.00 0.00 C ATOM 866 O ARG B 99 0.062 9.105 9.013 1.00 0.00 O ATOM 867 CB ARG B 99 0.260 7.368 6.137 1.00 0.00 C ATOM 868 CG ARG B 99 1.694 7.871 6.298 1.00 0.00 C ATOM 869 CD ARG B 99 2.416 7.757 4.959 1.00 0.00 C ATOM 870 NE ARG B 99 3.795 8.249 5.052 1.00 0.00 N ATOM 871 CZ ARG B 99 4.669 8.211 4.043 1.00 0.00 C ATOM 872 NH1 ARG B 99 4.320 7.703 2.863 1.00 0.00 N ATOM 873 NH2 ARG B 99 5.902 8.684 4.209 1.00 0.00 N ATOM 0 H ARG B 99 -2.045 6.615 6.355 1.00 0.00 H new ATOM 0 HA ARG B 99 0.172 6.768 8.200 1.00 0.00 H new ATOM 0 HB2 ARG B 99 0.264 6.374 5.690 1.00 0.00 H new ATOM 0 HB3 ARG B 99 -0.287 8.021 5.457 1.00 0.00 H new ATOM 0 HG2 ARG B 99 1.693 8.907 6.638 1.00 0.00 H new ATOM 0 HG3 ARG B 99 2.215 7.287 7.057 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.420 6.717 4.633 1.00 0.00 H new ATOM 0 HD3 ARG B 99 1.875 8.326 4.203 1.00 0.00 H new ATOM 0 HE ARG B 99 4.105 8.644 5.940 1.00 0.00 H new ATOM 0 HH11 ARG B 99 3.378 7.338 2.723 1.00 0.00 H new ATOM 0 HH12 ARG B 99 4.995 7.679 2.099 1.00 0.00 H new ATOM 0 HH21 ARG B 99 6.181 9.076 5.108 1.00 0.00 H new ATOM 0 HH22 ARG B 99 6.568 8.654 3.437 1.00 0.00 H new ATOM 887 N ALA B 100 -1.559 9.500 7.505 1.00 0.00 N ATOM 888 CA ALA B 100 -1.841 10.847 7.974 1.00 0.00 C ATOM 889 C ALA B 100 -2.433 10.819 9.383 1.00 0.00 C ATOM 890 O ALA B 100 -2.111 11.671 10.209 1.00 0.00 O ATOM 891 CB ALA B 100 -2.815 11.510 6.998 1.00 0.00 C ATOM 0 H ALA B 100 -2.133 9.207 6.714 1.00 0.00 H new ATOM 0 HA ALA B 100 -0.914 11.418 8.017 1.00 0.00 H new ATOM 0 HB1 ALA B 100 -3.037 12.522 7.336 1.00 0.00 H new ATOM 0 HB2 ALA B 100 -2.365 11.549 6.006 1.00 0.00 H new ATOM 0 HB3 ALA B 100 -3.738 10.931 6.956 1.00 0.00 H new ATOM 897 N ALA B 101 -3.297 9.840 9.657 1.00 0.00 N ATOM 898 CA ALA B 101 -3.929 9.677 10.953 1.00 0.00 C ATOM 899 C ALA B 101 -2.920 9.181 11.987 1.00 0.00 C ATOM 900 O ALA B 101 -3.010 9.544 13.157 1.00 0.00 O ATOM 901 CB ALA B 101 -5.085 8.690 10.804 1.00 0.00 C ATOM 0 H ALA B 101 -3.576 9.135 8.974 1.00 0.00 H new ATOM 0 HA ALA B 101 -4.308 10.637 11.304 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -5.574 8.554 11.769 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -5.805 9.079 10.084 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -4.702 7.732 10.453 1.00 0.00 H new ATOM 907 N GLN B 102 -1.958 8.353 11.567 1.00 0.00 N ATOM 908 CA GLN B 102 -0.895 7.898 12.450 1.00 0.00 C ATOM 909 C GLN B 102 -0.010 9.077 12.841 1.00 0.00 C ATOM 910 O GLN B 102 0.434 9.153 13.985 1.00 0.00 O ATOM 911 CB GLN B 102 -0.103 6.787 11.750 1.00 0.00 C ATOM 912 CG GLN B 102 1.195 6.409 12.471 1.00 0.00 C ATOM 913 CD GLN B 102 2.343 7.363 12.156 1.00 0.00 C ATOM 914 OE1 GLN B 102 2.588 7.697 11.001 1.00 0.00 O ATOM 915 NE2 GLN B 102 3.059 7.813 13.183 1.00 0.00 N ATOM 0 H GLN B 102 -1.899 7.987 10.617 1.00 0.00 H new ATOM 0 HA GLN B 102 -1.312 7.487 13.369 1.00 0.00 H new ATOM 0 HB2 GLN B 102 -0.733 5.901 11.666 1.00 0.00 H new ATOM 0 HB3 GLN B 102 0.135 7.106 10.735 1.00 0.00 H new ATOM 0 HG2 GLN B 102 1.019 6.401 13.547 1.00 0.00 H new ATOM 0 HG3 GLN B 102 1.482 5.396 12.188 1.00 0.00 H new ATOM 0 HE21 GLN B 102 2.831 7.517 14.132 1.00 0.00 H new ATOM 0 HE22 GLN B 102 3.836 8.454 13.021 1.00 0.00 H new ATOM 924 N SER B 103 0.250 9.996 11.906 1.00 0.00 N ATOM 925 CA SER B 103 1.032 11.185 12.210 1.00 0.00 C ATOM 926 C SER B 103 0.258 12.082 13.171 1.00 0.00 C ATOM 927 O SER B 103 0.825 12.600 14.132 1.00 0.00 O ATOM 928 CB SER B 103 1.350 11.949 10.927 1.00 0.00 C ATOM 929 OG SER B 103 2.124 11.143 10.062 1.00 0.00 O ATOM 0 H SER B 103 -0.070 9.935 10.939 1.00 0.00 H new ATOM 0 HA SER B 103 1.968 10.881 12.679 1.00 0.00 H new ATOM 0 HB2 SER B 103 0.425 12.244 10.431 1.00 0.00 H new ATOM 0 HB3 SER B 103 1.891 12.865 11.164 1.00 0.00 H new ATOM 0 HG SER B 103 1.557 10.448 9.668 1.00 0.00 H new ATOM 935 N ALA B 104 -1.042 12.266 12.913 1.00 0.00 N ATOM 936 CA ALA B 104 -1.894 13.079 13.759 1.00 0.00 C ATOM 937 C ALA B 104 -1.916 12.527 15.184 1.00 0.00 C ATOM 938 O ALA B 104 -1.772 13.277 16.146 1.00 0.00 O ATOM 939 CB ALA B 104 -3.301 13.115 13.166 1.00 0.00 C ATOM 0 H ALA B 104 -1.522 11.853 12.113 1.00 0.00 H new ATOM 0 HA ALA B 104 -1.501 14.095 13.803 1.00 0.00 H new ATOM 0 HB1 ALA B 104 -3.947 13.725 13.798 1.00 0.00 H new ATOM 0 HB2 ALA B 104 -3.263 13.544 12.165 1.00 0.00 H new ATOM 0 HB3 ALA B 104 -3.699 12.102 13.112 1.00 0.00 H new ATOM 945 N LEU B 105 -2.095 11.210 15.312 1.00 0.00 N ATOM 946 CA LEU B 105 -2.114 10.523 16.593 1.00 0.00 C ATOM 947 C LEU B 105 -0.766 10.689 17.291 1.00 0.00 C ATOM 948 O LEU B 105 -0.704 11.243 18.387 1.00 0.00 O ATOM 949 CB LEU B 105 -2.457 9.051 16.327 1.00 0.00 C ATOM 950 CG LEU B 105 -2.851 8.264 17.580 1.00 0.00 C ATOM 951 CD1 LEU B 105 -3.428 6.919 17.142 1.00 0.00 C ATOM 952 CD2 LEU B 105 -1.667 7.984 18.501 1.00 0.00 C ATOM 0 H LEU B 105 -2.232 10.588 14.515 1.00 0.00 H new ATOM 0 HA LEU B 105 -2.865 10.945 17.261 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.276 9.004 15.609 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -1.598 8.567 15.862 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.571 8.868 18.131 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -3.715 6.343 18.021 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -4.304 7.086 16.515 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -2.677 6.368 16.576 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.008 7.424 19.372 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -0.919 7.401 17.964 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -1.228 8.927 18.826 1.00 0.00 H new ATOM 964 N ALA B 106 0.314 10.214 16.664 1.00 0.00 N ATOM 965 CA ALA B 106 1.640 10.211 17.261 1.00 0.00 C ATOM 966 C ALA B 106 2.120 11.597 17.703 1.00 0.00 C ATOM 967 O ALA B 106 3.023 11.684 18.533 1.00 0.00 O ATOM 968 CB ALA B 106 2.626 9.600 16.266 1.00 0.00 C ATOM 0 H ALA B 106 0.286 9.820 15.724 1.00 0.00 H new ATOM 0 HA ALA B 106 1.585 9.614 18.171 1.00 0.00 H new ATOM 0 HB1 ALA B 106 3.625 9.592 16.702 1.00 0.00 H new ATOM 0 HB2 ALA B 106 2.323 8.579 16.034 1.00 0.00 H new ATOM 0 HB3 ALA B 106 2.634 10.193 15.351 1.00 0.00 H new ATOM 974 N THR B 107 1.537 12.676 17.168 1.00 0.00 N ATOM 975 CA THR B 107 1.931 14.023 17.559 1.00 0.00 C ATOM 976 C THR B 107 0.964 14.626 18.572 1.00 0.00 C ATOM 977 O THR B 107 1.396 15.078 19.630 1.00 0.00 O ATOM 978 CB THR B 107 2.056 14.911 16.325 1.00 0.00 C ATOM 979 OG1 THR B 107 3.050 14.379 15.475 1.00 0.00 O ATOM 980 CG2 THR B 107 2.473 16.324 16.725 1.00 0.00 C ATOM 0 H THR B 107 0.796 12.638 16.468 1.00 0.00 H new ATOM 0 HA THR B 107 2.904 13.960 18.047 1.00 0.00 H new ATOM 0 HB THR B 107 1.091 14.947 15.819 1.00 0.00 H new ATOM 0 HG1 THR B 107 2.646 13.723 14.870 1.00 0.00 H new ATOM 0 HG21 THR B 107 2.558 16.945 15.833 1.00 0.00 H new ATOM 0 HG22 THR B 107 1.724 16.749 17.393 1.00 0.00 H new ATOM 0 HG23 THR B 107 3.436 16.289 17.235 1.00 0.00 H new ATOM 988 N VAL B 108 -0.338 14.642 18.268 1.00 0.00 N ATOM 989 CA VAL B 108 -1.316 15.271 19.147 1.00 0.00 C ATOM 990 C VAL B 108 -1.450 14.505 20.462 1.00 0.00 C ATOM 991 O VAL B 108 -1.715 15.110 21.499 1.00 0.00 O ATOM 992 CB VAL B 108 -2.670 15.359 18.431 1.00 0.00 C ATOM 993 CG1 VAL B 108 -3.720 16.010 19.330 1.00 0.00 C ATOM 994 CG2 VAL B 108 -2.545 16.212 17.168 1.00 0.00 C ATOM 0 H VAL B 108 -0.733 14.228 17.424 1.00 0.00 H new ATOM 0 HA VAL B 108 -0.972 16.277 19.387 1.00 0.00 H new ATOM 0 HB VAL B 108 -2.974 14.343 18.180 1.00 0.00 H new ATOM 0 HG11 VAL B 108 -4.671 16.061 18.800 1.00 0.00 H new ATOM 0 HG12 VAL B 108 -3.841 15.417 20.237 1.00 0.00 H new ATOM 0 HG13 VAL B 108 -3.398 17.017 19.595 1.00 0.00 H new ATOM 0 HG21 VAL B 108 -3.512 16.267 16.669 1.00 0.00 H new ATOM 0 HG22 VAL B 108 -2.219 17.216 17.438 1.00 0.00 H new ATOM 0 HG23 VAL B 108 -1.815 15.762 16.496 1.00 0.00 H new ATOM 1004 N PHE B 109 -1.270 13.181 20.434 1.00 0.00 N ATOM 1005 CA PHE B 109 -1.410 12.365 21.632 1.00 0.00 C ATOM 1006 C PHE B 109 -0.076 12.227 22.362 1.00 0.00 C ATOM 1007 O PHE B 109 -0.050 11.726 23.483 1.00 0.00 O ATOM 1008 CB PHE B 109 -1.886 10.958 21.269 1.00 0.00 C ATOM 1009 CG PHE B 109 -3.281 10.821 20.690 1.00 0.00 C ATOM 1010 CD1 PHE B 109 -3.994 11.920 20.184 1.00 0.00 C ATOM 1011 CD2 PHE B 109 -3.870 9.550 20.667 1.00 0.00 C ATOM 1012 CE1 PHE B 109 -5.293 11.750 19.690 1.00 0.00 C ATOM 1013 CE2 PHE B 109 -5.160 9.378 20.155 1.00 0.00 C ATOM 1014 CZ PHE B 109 -5.881 10.481 19.682 1.00 0.00 C ATOM 0 H PHE B 109 -1.027 12.657 19.593 1.00 0.00 H new ATOM 0 HA PHE B 109 -2.137 12.862 22.274 1.00 0.00 H new ATOM 0 HB2 PHE B 109 -1.181 10.538 20.551 1.00 0.00 H new ATOM 0 HB3 PHE B 109 -1.832 10.342 22.167 1.00 0.00 H new ATOM 0 HD1 PHE B 109 -3.539 12.899 20.176 1.00 0.00 H new ATOM 0 HD2 PHE B 109 -3.325 8.698 21.047 1.00 0.00 H new ATOM 0 HE1 PHE B 109 -5.842 12.601 19.314 1.00 0.00 H new ATOM 0 HE2 PHE B 109 -5.601 8.393 20.124 1.00 0.00 H new ATOM 0 HZ PHE B 109 -6.888 10.352 19.312 1.00 0.00 H new ATOM 1024 N ASN B 110 1.026 12.665 21.739 1.00 0.00 N ATOM 1025 CA ASN B 110 2.372 12.474 22.263 1.00 0.00 C ATOM 1026 C ASN B 110 2.689 10.988 22.481 1.00 0.00 C ATOM 1027 O ASN B 110 3.605 10.649 23.228 1.00 0.00 O ATOM 1028 CB ASN B 110 2.571 13.310 23.532 1.00 0.00 C ATOM 1029 CG ASN B 110 2.348 14.797 23.288 1.00 0.00 C ATOM 1030 OD1 ASN B 110 3.293 15.582 23.296 1.00 0.00 O ATOM 1031 ND2 ASN B 110 1.097 15.198 23.069 1.00 0.00 N ATOM 0 H ASN B 110 1.001 13.165 20.850 1.00 0.00 H new ATOM 0 HA ASN B 110 3.087 12.829 21.520 1.00 0.00 H new ATOM 0 HB2 ASN B 110 1.883 12.964 24.303 1.00 0.00 H new ATOM 0 HB3 ASN B 110 3.581 13.154 23.912 1.00 0.00 H new ATOM 0 HD21 ASN B 110 0.900 16.185 22.901 1.00 0.00 H new ATOM 0 HD22 ASN B 110 0.336 14.519 23.069 1.00 0.00 H new ATOM 1038 N LEU B 111 1.928 10.103 21.825 1.00 0.00 N ATOM 1039 CA LEU B 111 2.048 8.656 21.951 1.00 0.00 C ATOM 1040 C LEU B 111 2.142 8.027 20.564 1.00 0.00 C ATOM 1041 O LEU B 111 1.156 8.003 19.831 1.00 0.00 O ATOM 1042 CB LEU B 111 0.826 8.102 22.693 1.00 0.00 C ATOM 1043 CG LEU B 111 0.762 8.544 24.156 1.00 0.00 C ATOM 1044 CD1 LEU B 111 -0.616 8.181 24.711 1.00 0.00 C ATOM 1045 CD2 LEU B 111 1.837 7.844 24.983 1.00 0.00 C ATOM 0 H LEU B 111 1.194 10.387 21.176 1.00 0.00 H new ATOM 0 HA LEU B 111 2.949 8.414 22.515 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -0.080 8.426 22.182 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.844 7.013 22.649 1.00 0.00 H new ATOM 0 HG LEU B 111 0.931 9.619 24.212 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -0.681 8.489 25.755 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.387 8.692 24.134 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -0.764 7.103 24.641 1.00 0.00 H new ATOM 0 HD21 LEU B 111 1.771 8.175 26.020 1.00 0.00 H new ATOM 0 HD22 LEU B 111 1.687 6.765 24.936 1.00 0.00 H new ATOM 0 HD23 LEU B 111 2.821 8.092 24.585 1.00 0.00 H new ATOM 1057 N HIS B 112 3.322 7.518 20.201 1.00 0.00 N ATOM 1058 CA HIS B 112 3.527 6.900 18.898 1.00 0.00 C ATOM 1059 C HIS B 112 2.641 5.660 18.737 1.00 0.00 C ATOM 1060 O HIS B 112 2.176 5.085 19.722 1.00 0.00 O ATOM 1061 CB HIS B 112 5.005 6.549 18.741 1.00 0.00 C ATOM 1062 CG HIS B 112 5.379 6.136 17.343 1.00 0.00 C ATOM 1063 ND1 HIS B 112 5.244 4.878 16.797 1.00 0.00 N ATOM 1064 CD2 HIS B 112 5.920 6.953 16.387 1.00 0.00 C ATOM 1065 CE1 HIS B 112 5.710 4.940 15.537 1.00 0.00 C ATOM 1066 NE2 HIS B 112 6.129 6.182 15.240 1.00 0.00 N ATOM 0 H HIS B 112 4.150 7.524 20.797 1.00 0.00 H new ATOM 0 HA HIS B 112 3.243 7.602 18.114 1.00 0.00 H new ATOM 0 HB2 HIS B 112 5.607 7.410 19.030 1.00 0.00 H new ATOM 0 HB3 HIS B 112 5.253 5.741 19.429 1.00 0.00 H new ATOM 0 HD1 HIS B 112 4.862 4.054 17.262 1.00 0.00 H new ATOM 0 HD2 HIS B 112 6.145 8.003 16.499 1.00 0.00 H new ATOM 0 HE1 HIS B 112 5.743 4.103 14.855 1.00 0.00 H new ATOM 1074 N LEU B 113 2.411 5.250 17.486 1.00 0.00 N ATOM 1075 CA LEU B 113 1.598 4.089 17.158 1.00 0.00 C ATOM 1076 C LEU B 113 2.286 2.793 17.591 1.00 0.00 C ATOM 1077 O LEU B 113 3.534 2.744 17.513 1.00 0.00 O ATOM 1078 CB LEU B 113 1.316 4.102 15.650 1.00 0.00 C ATOM 1079 CG LEU B 113 0.344 2.997 15.227 1.00 0.00 C ATOM 1080 CD1 LEU B 113 -1.002 3.168 15.927 1.00 0.00 C ATOM 1081 CD2 LEU B 113 0.110 3.084 13.722 1.00 0.00 C ATOM 1082 OXT LEU B 113 1.555 1.864 17.999 1.00 0.00 O ATOM 0 H LEU B 113 2.791 5.725 16.667 1.00 0.00 H new ATOM 0 HA LEU B 113 0.654 4.135 17.701 1.00 0.00 H new ATOM 0 HB2 LEU B 113 0.904 5.071 15.369 1.00 0.00 H new ATOM 0 HB3 LEU B 113 2.254 3.984 15.107 1.00 0.00 H new ATOM 0 HG LEU B 113 0.777 2.034 15.499 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -1.679 2.373 15.613 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -0.860 3.118 17.007 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.430 4.135 15.662 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.582 2.299 13.415 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.313 4.058 13.475 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.058 2.957 13.199 1.00 0.00 H new