USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=14 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 170:sc= 0 (180deg=-0.124) USER MOD Single : B 53 ASN : amide:sc= 1.01 K(o=1,f=-0.05) 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 USER MOD Single : B 67 SER OG : rot 8:sc= 0.35 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 71 HIS : no HD1:sc= -0.8 X(o=-0.8,f=-1.2) USER MOD Single : B 73 LYS NZ :NH3+ -160:sc= 2.18 (180deg=1.6) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl -138:sc= -0.143 (180deg=-0.474) USER MOD Single : B 78 SER OG : rot -43:sc= 0.9 USER MOD Single : B 84 GLN : amide:sc= 0.471 K(o=0.47,f=-1.5!) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0.936 K(o=0.94,f=-8.5!) USER MOD Single : B 93 LYS NZ :NH3+ 168:sc=-0.00921 (180deg=-0.15) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 144:sc= 1.81 (180deg=-0.0657) USER MOD Single : B 102 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : B 103 SER OG : rot 74:sc= 0.0393 USER MOD Single : B 107 THR OG1 : rot 87:sc= 0.579 USER MOD Single : B 110 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.042) USER MOD Single : B 112 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO B 48 -5.691 1.498 13.163 1.00 0.00 N ATOM 72 CA PRO B 48 -5.447 2.531 14.159 1.00 0.00 C ATOM 73 C PRO B 48 -6.532 3.607 14.150 1.00 0.00 C ATOM 74 O PRO B 48 -6.614 4.405 15.084 1.00 0.00 O ATOM 75 CB PRO B 48 -4.087 3.119 13.781 1.00 0.00 C ATOM 76 CG PRO B 48 -4.025 2.940 12.264 1.00 0.00 C ATOM 77 CD PRO B 48 -4.804 1.648 12.023 1.00 0.00 C ATOM 0 HA PRO B 48 -5.460 2.122 15.169 1.00 0.00 H new ATOM 0 HB2 PRO B 48 -4.012 4.169 14.064 1.00 0.00 H new ATOM 0 HB3 PRO B 48 -3.271 2.595 14.280 1.00 0.00 H new ATOM 0 HG2 PRO B 48 -4.476 3.784 11.742 1.00 0.00 H new ATOM 0 HG3 PRO B 48 -2.997 2.860 11.911 1.00 0.00 H new ATOM 0 HD2 PRO B 48 -5.370 1.701 11.093 1.00 0.00 H new ATOM 0 HD3 PRO B 48 -4.130 0.796 11.938 1.00 0.00 H new ATOM 85 N VAL B 49 -7.363 3.638 13.105 1.00 0.00 N ATOM 86 CA VAL B 49 -8.401 4.648 12.963 1.00 0.00 C ATOM 87 C VAL B 49 -9.429 4.515 14.081 1.00 0.00 C ATOM 88 O VAL B 49 -9.751 5.497 14.748 1.00 0.00 O ATOM 89 CB VAL B 49 -9.081 4.513 11.595 1.00 0.00 C ATOM 90 CG1 VAL B 49 -10.076 5.657 11.404 1.00 0.00 C ATOM 91 CG2 VAL B 49 -8.052 4.567 10.465 1.00 0.00 C ATOM 0 H VAL B 49 -7.331 2.965 12.340 1.00 0.00 H new ATOM 0 HA VAL B 49 -7.942 5.634 13.032 1.00 0.00 H new ATOM 0 HB VAL B 49 -9.594 3.552 11.564 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -10.559 5.561 10.432 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -10.831 5.618 12.190 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.549 6.610 11.454 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -8.560 4.469 9.505 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.523 5.519 10.500 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -7.339 3.751 10.583 1.00 0.00 H new ATOM 101 N MET B 50 -9.950 3.304 14.294 1.00 0.00 N ATOM 102 CA MET B 50 -10.975 3.077 15.302 1.00 0.00 C ATOM 103 C MET B 50 -10.407 3.218 16.715 1.00 0.00 C ATOM 104 O MET B 50 -11.124 3.648 17.616 1.00 0.00 O ATOM 105 CB MET B 50 -11.580 1.689 15.085 1.00 0.00 C ATOM 106 CG MET B 50 -12.743 1.434 16.046 1.00 0.00 C ATOM 107 SD MET B 50 -14.111 2.624 15.938 1.00 0.00 S ATOM 108 CE MET B 50 -14.723 2.250 14.277 1.00 0.00 C ATOM 0 H MET B 50 -9.675 2.468 13.778 1.00 0.00 H new ATOM 0 HA MET B 50 -11.754 3.832 15.200 1.00 0.00 H new ATOM 0 HB2 MET B 50 -11.929 1.599 14.056 1.00 0.00 H new ATOM 0 HB3 MET B 50 -10.813 0.929 15.229 1.00 0.00 H new ATOM 0 HG2 MET B 50 -13.136 0.435 15.858 1.00 0.00 H new ATOM 0 HG3 MET B 50 -12.358 1.439 17.066 1.00 0.00 H new ATOM 0 HE1 MET B 50 -15.671 2.763 14.114 1.00 0.00 H new ATOM 0 HE2 MET B 50 -13.996 2.586 13.537 1.00 0.00 H new ATOM 0 HE3 MET B 50 -14.871 1.175 14.177 1.00 0.00 H new ATOM 118 N ILE B 51 -9.133 2.868 16.931 1.00 0.00 N ATOM 119 CA ILE B 51 -8.528 3.014 18.252 1.00 0.00 C ATOM 120 C ILE B 51 -8.620 4.474 18.664 1.00 0.00 C ATOM 121 O ILE B 51 -9.122 4.800 19.737 1.00 0.00 O ATOM 122 CB ILE B 51 -7.048 2.624 18.234 1.00 0.00 C ATOM 123 CG1 ILE B 51 -6.814 1.248 17.608 1.00 0.00 C ATOM 124 CG2 ILE B 51 -6.503 2.650 19.664 1.00 0.00 C ATOM 125 CD1 ILE B 51 -5.312 0.987 17.495 1.00 0.00 C ATOM 0 H ILE B 51 -8.512 2.487 16.217 1.00 0.00 H new ATOM 0 HA ILE B 51 -9.058 2.362 18.947 1.00 0.00 H new ATOM 0 HB ILE B 51 -6.520 3.349 17.614 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -7.283 0.475 18.217 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -7.277 1.202 16.622 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -5.449 2.373 19.657 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -6.612 3.653 20.077 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -7.060 1.943 20.279 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -5.146 0.006 17.049 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -4.856 1.753 16.868 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -4.862 1.015 18.487 1.00 0.00 H new ATOM 137 N LEU B 52 -8.122 5.346 17.786 1.00 0.00 N ATOM 138 CA LEU B 52 -8.122 6.779 17.985 1.00 0.00 C ATOM 139 C LEU B 52 -9.554 7.252 18.239 1.00 0.00 C ATOM 140 O LEU B 52 -9.812 7.980 19.197 1.00 0.00 O ATOM 141 CB LEU B 52 -7.490 7.400 16.734 1.00 0.00 C ATOM 142 CG LEU B 52 -7.005 8.844 16.915 1.00 0.00 C ATOM 143 CD1 LEU B 52 -6.299 9.284 15.636 1.00 0.00 C ATOM 144 CD2 LEU B 52 -8.144 9.826 17.174 1.00 0.00 C ATOM 0 H LEU B 52 -7.701 5.061 16.902 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.542 7.084 18.856 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -6.646 6.783 16.424 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -8.218 7.374 15.924 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.344 8.854 17.782 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -5.948 10.310 15.749 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.449 8.628 15.445 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.995 9.229 14.799 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -7.738 10.831 17.294 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.835 9.812 16.331 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.673 9.538 18.082 1.00 0.00 H new ATOM 156 N ASN B 53 -10.482 6.833 17.376 1.00 0.00 N ATOM 157 CA ASN B 53 -11.887 7.199 17.467 1.00 0.00 C ATOM 158 C ASN B 53 -12.615 6.542 18.646 1.00 0.00 C ATOM 159 O ASN B 53 -13.798 6.815 18.844 1.00 0.00 O ATOM 160 CB ASN B 53 -12.565 6.868 16.137 1.00 0.00 C ATOM 161 CG ASN B 53 -12.259 7.950 15.111 1.00 0.00 C ATOM 162 OD1 ASN B 53 -12.793 9.052 15.188 1.00 0.00 O ATOM 163 ND2 ASN B 53 -11.400 7.649 14.142 1.00 0.00 N ATOM 0 H ASN B 53 -10.271 6.223 16.587 1.00 0.00 H new ATOM 0 HA ASN B 53 -11.944 8.270 17.662 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -12.217 5.902 15.773 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -13.642 6.785 16.280 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.167 8.344 13.433 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.974 6.723 14.108 1.00 0.00 H new ATOM 170 N GLU B 54 -11.945 5.692 19.434 1.00 0.00 N ATOM 171 CA GLU B 54 -12.538 5.145 20.651 1.00 0.00 C ATOM 172 C GLU B 54 -11.845 5.720 21.881 1.00 0.00 C ATOM 173 O GLU B 54 -12.448 5.797 22.950 1.00 0.00 O ATOM 174 CB GLU B 54 -12.411 3.621 20.695 1.00 0.00 C ATOM 175 CG GLU B 54 -13.462 2.917 19.840 1.00 0.00 C ATOM 176 CD GLU B 54 -13.443 1.416 20.129 1.00 0.00 C ATOM 177 OE1 GLU B 54 -14.047 1.020 21.151 1.00 0.00 O ATOM 178 OE2 GLU B 54 -12.826 0.673 19.334 1.00 0.00 O ATOM 0 H GLU B 54 -10.995 5.371 19.248 1.00 0.00 H new ATOM 0 HA GLU B 54 -13.593 5.418 20.649 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -11.417 3.333 20.352 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -12.502 3.283 21.727 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -14.450 3.325 20.053 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -13.264 3.096 18.783 1.00 0.00 H new ATOM 185 N LEU B 55 -10.580 6.125 21.738 1.00 0.00 N ATOM 186 CA LEU B 55 -9.833 6.701 22.839 1.00 0.00 C ATOM 187 C LEU B 55 -10.166 8.181 22.988 1.00 0.00 C ATOM 188 O LEU B 55 -10.618 8.605 24.051 1.00 0.00 O ATOM 189 CB LEU B 55 -8.341 6.459 22.591 1.00 0.00 C ATOM 190 CG LEU B 55 -7.587 6.186 23.896 1.00 0.00 C ATOM 191 CD1 LEU B 55 -6.203 5.633 23.572 1.00 0.00 C ATOM 192 CD2 LEU B 55 -7.427 7.447 24.741 1.00 0.00 C ATOM 0 H LEU B 55 -10.058 6.061 20.864 1.00 0.00 H new ATOM 0 HA LEU B 55 -10.108 6.226 23.781 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -8.217 5.613 21.915 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -7.909 7.328 22.096 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.171 5.466 24.469 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -5.663 5.437 24.499 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -6.305 4.705 23.009 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -5.651 6.360 22.977 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -6.887 7.205 25.656 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -6.869 8.195 24.177 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -8.411 7.843 24.994 1.00 0.00 H new ATOM 204 N ARG B 56 -9.945 8.968 21.928 1.00 0.00 N ATOM 205 CA ARG B 56 -10.216 10.399 21.927 1.00 0.00 C ATOM 206 C ARG B 56 -10.696 10.860 20.548 1.00 0.00 C ATOM 207 O ARG B 56 -9.900 11.381 19.768 1.00 0.00 O ATOM 208 CB ARG B 56 -8.957 11.182 22.326 1.00 0.00 C ATOM 209 CG ARG B 56 -8.526 10.957 23.778 1.00 0.00 C ATOM 210 CD ARG B 56 -9.551 11.534 24.755 1.00 0.00 C ATOM 211 NE ARG B 56 -9.137 11.310 26.145 1.00 0.00 N ATOM 212 CZ ARG B 56 -8.312 12.104 26.833 1.00 0.00 C ATOM 213 NH1 ARG B 56 -7.789 13.195 26.279 1.00 0.00 N ATOM 214 NH2 ARG B 56 -8.003 11.804 28.092 1.00 0.00 N ATOM 0 H ARG B 56 -9.571 8.622 21.045 1.00 0.00 H new ATOM 0 HA ARG B 56 -11.004 10.594 22.655 1.00 0.00 H new ATOM 0 HB2 ARG B 56 -8.138 10.897 21.665 1.00 0.00 H new ATOM 0 HB3 ARG B 56 -9.137 12.246 22.170 1.00 0.00 H new ATOM 0 HG2 ARG B 56 -8.404 9.890 23.963 1.00 0.00 H new ATOM 0 HG3 ARG B 56 -7.555 11.423 23.948 1.00 0.00 H new ATOM 0 HD2 ARG B 56 -9.669 12.602 24.575 1.00 0.00 H new ATOM 0 HD3 ARG B 56 -10.523 11.072 24.582 1.00 0.00 H new ATOM 0 HE ARG B 56 -9.507 10.487 26.621 1.00 0.00 H new ATOM 0 HH11 ARG B 56 -8.016 13.436 25.314 1.00 0.00 H new ATOM 0 HH12 ARG B 56 -7.161 13.790 26.819 1.00 0.00 H new ATOM 0 HH21 ARG B 56 -8.396 10.970 28.529 1.00 0.00 H new ATOM 0 HH22 ARG B 56 -7.373 12.408 28.620 1.00 0.00 H new ATOM 228 N PRO B 57 -11.985 10.679 20.230 1.00 0.00 N ATOM 229 CA PRO B 57 -12.577 11.167 18.996 1.00 0.00 C ATOM 230 C PRO B 57 -12.725 12.690 19.052 1.00 0.00 C ATOM 231 O PRO B 57 -12.374 13.312 20.054 1.00 0.00 O ATOM 232 CB PRO B 57 -13.939 10.475 18.915 1.00 0.00 C ATOM 233 CG PRO B 57 -14.313 10.289 20.383 1.00 0.00 C ATOM 234 CD PRO B 57 -12.969 9.991 21.043 1.00 0.00 C ATOM 0 HA PRO B 57 -11.967 10.950 18.119 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -14.671 11.084 18.385 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -13.878 9.522 18.390 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -14.777 11.184 20.798 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -15.020 9.471 20.519 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -12.948 10.348 22.073 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -12.774 8.919 21.074 1.00 0.00 H new ATOM 242 N GLY B 58 -13.245 13.294 17.979 1.00 0.00 N ATOM 243 CA GLY B 58 -13.434 14.736 17.920 1.00 0.00 C ATOM 244 C GLY B 58 -12.371 15.395 17.052 1.00 0.00 C ATOM 245 O GLY B 58 -11.678 16.309 17.498 1.00 0.00 O ATOM 0 H GLY B 58 -13.542 12.798 17.138 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -14.423 14.960 17.521 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -13.395 15.152 18.927 1.00 0.00 H new ATOM 249 N LEU B 59 -12.244 14.927 15.809 1.00 0.00 N ATOM 250 CA LEU B 59 -11.245 15.385 14.862 1.00 0.00 C ATOM 251 C LEU B 59 -11.887 15.664 13.506 1.00 0.00 C ATOM 252 O LEU B 59 -13.108 15.584 13.363 1.00 0.00 O ATOM 253 CB LEU B 59 -10.149 14.324 14.749 1.00 0.00 C ATOM 254 CG LEU B 59 -10.696 12.897 14.769 1.00 0.00 C ATOM 255 CD1 LEU B 59 -11.672 12.647 13.627 1.00 0.00 C ATOM 256 CD2 LEU B 59 -9.498 11.974 14.606 1.00 0.00 C ATOM 0 H LEU B 59 -12.852 14.201 15.431 1.00 0.00 H new ATOM 0 HA LEU B 59 -10.802 16.318 15.211 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -9.593 14.481 13.825 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -9.444 14.449 15.571 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.236 12.723 15.700 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -12.037 11.621 13.678 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -12.513 13.336 13.710 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -11.166 12.805 12.675 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -9.834 10.937 14.614 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -9.000 12.187 13.660 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -8.800 12.135 15.428 1.00 0.00 H new ATOM 268 N LYS B 60 -11.059 15.992 12.511 1.00 0.00 N ATOM 269 CA LYS B 60 -11.522 16.281 11.162 1.00 0.00 C ATOM 270 C LYS B 60 -10.534 15.765 10.119 1.00 0.00 C ATOM 271 O LYS B 60 -9.447 16.322 9.980 1.00 0.00 O ATOM 272 CB LYS B 60 -11.700 17.789 10.994 1.00 0.00 C ATOM 273 CG LYS B 60 -12.796 18.350 11.902 1.00 0.00 C ATOM 274 CD LYS B 60 -12.756 19.876 11.911 1.00 0.00 C ATOM 275 CE LYS B 60 -11.457 20.331 12.575 1.00 0.00 C ATOM 276 NZ LYS B 60 -11.399 21.800 12.691 1.00 0.00 N ATOM 0 H LYS B 60 -10.048 16.063 12.624 1.00 0.00 H new ATOM 0 HA LYS B 60 -12.476 15.775 11.012 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.757 18.290 11.214 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -11.944 18.010 9.955 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -13.772 18.008 11.557 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -12.665 17.971 12.916 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -12.814 20.261 10.893 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -13.615 20.273 12.452 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -11.376 19.883 13.565 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -10.606 19.976 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -10.506 22.077 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -11.452 22.225 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -12.198 22.135 13.266 1.00 0.00 H new ATOM 290 N TYR B 61 -10.895 14.709 9.386 1.00 0.00 N ATOM 291 CA TYR B 61 -10.051 14.194 8.315 1.00 0.00 C ATOM 292 C TYR B 61 -10.311 14.931 7.007 1.00 0.00 C ATOM 293 O TYR B 61 -11.403 15.449 6.773 1.00 0.00 O ATOM 294 CB TYR B 61 -10.313 12.699 8.118 1.00 0.00 C ATOM 295 CG TYR B 61 -9.699 11.833 9.191 1.00 0.00 C ATOM 296 CD1 TYR B 61 -10.318 11.716 10.443 1.00 0.00 C ATOM 297 CD2 TYR B 61 -8.502 11.148 8.934 1.00 0.00 C ATOM 298 CE1 TYR B 61 -9.737 10.925 11.443 1.00 0.00 C ATOM 299 CE2 TYR B 61 -7.930 10.330 9.919 1.00 0.00 C ATOM 300 CZ TYR B 61 -8.547 10.218 11.181 1.00 0.00 C ATOM 301 OH TYR B 61 -7.993 9.429 12.145 1.00 0.00 O ATOM 0 H TYR B 61 -11.767 14.197 9.518 1.00 0.00 H new ATOM 0 HA TYR B 61 -9.011 14.352 8.600 1.00 0.00 H new ATOM 0 HB2 TYR B 61 -11.389 12.527 8.095 1.00 0.00 H new ATOM 0 HB3 TYR B 61 -9.921 12.394 7.148 1.00 0.00 H new ATOM 0 HD1 TYR B 61 -11.244 12.236 10.637 1.00 0.00 H new ATOM 0 HD2 TYR B 61 -8.019 11.251 7.974 1.00 0.00 H new ATOM 0 HE1 TYR B 61 -10.202 10.857 12.415 1.00 0.00 H new ATOM 0 HE2 TYR B 61 -7.020 9.788 9.711 1.00 0.00 H new ATOM 0 HH TYR B 61 -8.700 9.077 12.725 1.00 0.00 H new ATOM 311 N ASP B 62 -9.283 14.965 6.157 1.00 0.00 N ATOM 312 CA ASP B 62 -9.362 15.516 4.814 1.00 0.00 C ATOM 313 C ASP B 62 -8.553 14.662 3.842 1.00 0.00 C ATOM 314 O ASP B 62 -7.332 14.591 3.944 1.00 0.00 O ATOM 315 CB ASP B 62 -8.867 16.964 4.796 1.00 0.00 C ATOM 316 CG ASP B 62 -9.843 17.906 5.496 1.00 0.00 C ATOM 317 OD1 ASP B 62 -10.892 18.207 4.884 1.00 0.00 O ATOM 318 OD2 ASP B 62 -9.535 18.318 6.636 1.00 0.00 O ATOM 0 H ASP B 62 -8.359 14.603 6.392 1.00 0.00 H new ATOM 0 HA ASP B 62 -10.405 15.507 4.498 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -7.894 17.021 5.283 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -8.726 17.287 3.765 1.00 0.00 H new ATOM 323 N PHE B 63 -9.234 14.010 2.895 1.00 0.00 N ATOM 324 CA PHE B 63 -8.589 13.240 1.840 1.00 0.00 C ATOM 325 C PHE B 63 -7.858 14.172 0.877 1.00 0.00 C ATOM 326 O PHE B 63 -8.289 15.304 0.662 1.00 0.00 O ATOM 327 CB PHE B 63 -9.674 12.464 1.094 1.00 0.00 C ATOM 328 CG PHE B 63 -9.240 11.856 -0.221 1.00 0.00 C ATOM 329 CD1 PHE B 63 -9.369 12.593 -1.407 1.00 0.00 C ATOM 330 CD2 PHE B 63 -8.710 10.559 -0.263 1.00 0.00 C ATOM 331 CE1 PHE B 63 -8.971 12.037 -2.630 1.00 0.00 C ATOM 332 CE2 PHE B 63 -8.313 10.002 -1.485 1.00 0.00 C ATOM 333 CZ PHE B 63 -8.444 10.738 -2.670 1.00 0.00 C ATOM 0 H PHE B 63 -10.253 14.005 2.843 1.00 0.00 H new ATOM 0 HA PHE B 63 -7.858 12.555 2.268 1.00 0.00 H new ATOM 0 HB2 PHE B 63 -10.039 11.667 1.742 1.00 0.00 H new ATOM 0 HB3 PHE B 63 -10.514 13.133 0.907 1.00 0.00 H new ATOM 0 HD1 PHE B 63 -9.777 13.593 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE B 63 -8.608 9.988 0.648 1.00 0.00 H new ATOM 0 HE1 PHE B 63 -9.070 12.608 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE B 63 -7.905 9.003 -1.514 1.00 0.00 H new ATOM 0 HZ PHE B 63 -8.140 10.306 -3.612 1.00 0.00 H new ATOM 343 N LEU B 64 -6.753 13.686 0.301 1.00 0.00 N ATOM 344 CA LEU B 64 -5.964 14.412 -0.678 1.00 0.00 C ATOM 345 C LEU B 64 -5.700 13.526 -1.902 1.00 0.00 C ATOM 346 O LEU B 64 -5.806 12.299 -1.839 1.00 0.00 O ATOM 347 CB LEU B 64 -4.638 14.885 -0.068 1.00 0.00 C ATOM 348 CG LEU B 64 -4.687 16.174 0.765 1.00 0.00 C ATOM 349 CD1 LEU B 64 -5.574 17.257 0.151 1.00 0.00 C ATOM 350 CD2 LEU B 64 -5.173 15.903 2.180 1.00 0.00 C ATOM 0 H LEU B 64 -6.382 12.759 0.512 1.00 0.00 H new ATOM 0 HA LEU B 64 -6.527 15.291 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.249 14.086 0.563 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.923 15.029 -0.878 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.660 16.540 0.781 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -5.564 18.140 0.789 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -5.197 17.519 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -6.595 16.885 0.063 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -5.196 16.837 2.742 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -6.175 15.476 2.145 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.497 15.202 2.669 1.00 0.00 H new ATOM 362 N SER B 65 -5.357 14.193 -3.010 1.00 0.00 N ATOM 363 CA SER B 65 -5.266 13.657 -4.365 1.00 0.00 C ATOM 364 C SER B 65 -4.393 12.411 -4.525 1.00 0.00 C ATOM 365 O SER B 65 -3.739 11.952 -3.592 1.00 0.00 O ATOM 366 CB SER B 65 -4.765 14.763 -5.296 1.00 0.00 C ATOM 367 OG SER B 65 -5.595 15.901 -5.187 1.00 0.00 O ATOM 0 H SER B 65 -5.121 15.185 -2.978 1.00 0.00 H new ATOM 0 HA SER B 65 -6.272 13.326 -4.624 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.738 15.026 -5.042 1.00 0.00 H new ATOM 0 HB3 SER B 65 -4.757 14.406 -6.326 1.00 0.00 H new ATOM 0 HG SER B 65 -5.266 16.604 -5.785 1.00 0.00 H new ATOM 373 N GLU B 66 -4.396 11.867 -5.746 1.00 0.00 N ATOM 374 CA GLU B 66 -3.722 10.623 -6.090 1.00 0.00 C ATOM 375 C GLU B 66 -2.561 10.836 -7.060 1.00 0.00 C ATOM 376 O GLU B 66 -2.362 11.934 -7.580 1.00 0.00 O ATOM 377 CB GLU B 66 -4.747 9.636 -6.662 1.00 0.00 C ATOM 378 CG GLU B 66 -5.722 10.249 -7.673 1.00 0.00 C ATOM 379 CD GLU B 66 -5.027 10.936 -8.847 1.00 0.00 C ATOM 380 OE1 GLU B 66 -4.383 10.219 -9.643 1.00 0.00 O ATOM 381 OE2 GLU B 66 -5.147 12.179 -8.938 1.00 0.00 O ATOM 0 H GLU B 66 -4.880 12.293 -6.536 1.00 0.00 H new ATOM 0 HA GLU B 66 -3.285 10.210 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -4.214 8.815 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -5.318 9.207 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -6.377 9.466 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -6.356 10.973 -7.162 1.00 0.00 H new ATOM 388 N SER B 67 -1.795 9.763 -7.299 1.00 0.00 N ATOM 389 CA SER B 67 -0.671 9.738 -8.227 1.00 0.00 C ATOM 390 C SER B 67 -0.439 8.311 -8.733 1.00 0.00 C ATOM 391 O SER B 67 -1.087 7.370 -8.275 1.00 0.00 O ATOM 392 CB SER B 67 0.593 10.233 -7.521 1.00 0.00 C ATOM 393 OG SER B 67 0.492 11.608 -7.222 1.00 0.00 O ATOM 0 H SER B 67 -1.950 8.867 -6.836 1.00 0.00 H new ATOM 0 HA SER B 67 -0.898 10.388 -9.072 1.00 0.00 H new ATOM 0 HB2 SER B 67 0.748 9.667 -6.603 1.00 0.00 H new ATOM 0 HB3 SER B 67 1.462 10.057 -8.155 1.00 0.00 H new ATOM 0 HG SER B 67 -0.415 11.921 -7.423 1.00 0.00 H new ATOM 399 N GLY B 68 0.490 8.159 -9.683 1.00 0.00 N ATOM 400 CA GLY B 68 0.896 6.866 -10.219 1.00 0.00 C ATOM 401 C GLY B 68 -0.102 6.287 -11.216 1.00 0.00 C ATOM 402 O GLY B 68 -1.169 6.855 -11.454 1.00 0.00 O ATOM 0 H GLY B 68 0.985 8.945 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY B 68 1.866 6.970 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY B 68 1.026 6.164 -9.396 1.00 0.00 H new ATOM 406 N GLU B 69 0.259 5.141 -11.801 1.00 0.00 N ATOM 407 CA GLU B 69 -0.593 4.410 -12.728 1.00 0.00 C ATOM 408 C GLU B 69 -1.541 3.491 -11.953 1.00 0.00 C ATOM 409 O GLU B 69 -1.396 3.330 -10.745 1.00 0.00 O ATOM 410 CB GLU B 69 0.277 3.613 -13.700 1.00 0.00 C ATOM 411 CG GLU B 69 1.082 4.570 -14.582 1.00 0.00 C ATOM 412 CD GLU B 69 1.932 3.805 -15.593 1.00 0.00 C ATOM 413 OE1 GLU B 69 1.351 3.320 -16.590 1.00 0.00 O ATOM 414 OE2 GLU B 69 3.159 3.708 -15.365 1.00 0.00 O ATOM 0 H GLU B 69 1.162 4.695 -11.639 1.00 0.00 H new ATOM 0 HA GLU B 69 -1.199 5.111 -13.302 1.00 0.00 H new ATOM 0 HB2 GLU B 69 0.952 2.960 -13.146 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -0.349 2.972 -14.321 1.00 0.00 H new ATOM 0 HG2 GLU B 69 0.404 5.242 -15.108 1.00 0.00 H new ATOM 0 HG3 GLU B 69 1.725 5.190 -13.958 1.00 0.00 H new ATOM 421 N SER B 70 -2.516 2.883 -12.636 1.00 0.00 N ATOM 422 CA SER B 70 -3.563 2.104 -11.981 1.00 0.00 C ATOM 423 C SER B 70 -3.042 0.873 -11.238 1.00 0.00 C ATOM 424 O SER B 70 -3.655 0.454 -10.258 1.00 0.00 O ATOM 425 CB SER B 70 -4.578 1.653 -13.029 1.00 0.00 C ATOM 426 OG SER B 70 -5.129 2.775 -13.683 1.00 0.00 O ATOM 0 H SER B 70 -2.599 2.918 -13.652 1.00 0.00 H new ATOM 0 HA SER B 70 -4.015 2.756 -11.234 1.00 0.00 H new ATOM 0 HB2 SER B 70 -4.096 0.999 -13.756 1.00 0.00 H new ATOM 0 HB3 SER B 70 -5.370 1.074 -12.554 1.00 0.00 H new ATOM 0 HG SER B 70 -5.777 2.476 -14.354 1.00 0.00 H new ATOM 432 N HIS B 71 -1.928 0.288 -11.687 1.00 0.00 N ATOM 433 CA HIS B 71 -1.387 -0.928 -11.090 1.00 0.00 C ATOM 434 C HIS B 71 -0.499 -0.636 -9.877 1.00 0.00 C ATOM 435 O HIS B 71 -0.082 -1.561 -9.179 1.00 0.00 O ATOM 436 CB HIS B 71 -0.581 -1.676 -12.152 1.00 0.00 C ATOM 437 CG HIS B 71 0.537 -0.842 -12.721 1.00 0.00 C ATOM 438 ND1 HIS B 71 0.429 0.034 -13.777 1.00 0.00 N ATOM 439 CD2 HIS B 71 1.833 -0.812 -12.283 1.00 0.00 C ATOM 440 CE1 HIS B 71 1.639 0.593 -13.958 1.00 0.00 C ATOM 441 NE2 HIS B 71 2.528 0.106 -13.077 1.00 0.00 N ATOM 0 H HIS B 71 -1.381 0.645 -12.471 1.00 0.00 H new ATOM 0 HA HIS B 71 -2.221 -1.534 -10.737 1.00 0.00 H new ATOM 0 HB2 HIS B 71 -0.166 -2.585 -11.716 1.00 0.00 H new ATOM 0 HB3 HIS B 71 -1.247 -1.984 -12.958 1.00 0.00 H new ATOM 0 HD2 HIS B 71 2.245 -1.392 -11.471 1.00 0.00 H new ATOM 0 HE1 HIS B 71 1.865 1.334 -14.711 1.00 0.00 H new ATOM 0 HE2 HIS B 71 3.514 0.356 -13.002 1.00 0.00 H new ATOM 449 N ALA B 72 -0.210 0.643 -9.624 1.00 0.00 N ATOM 450 CA ALA B 72 0.662 1.078 -8.543 1.00 0.00 C ATOM 451 C ALA B 72 0.124 2.367 -7.921 1.00 0.00 C ATOM 452 O ALA B 72 0.867 3.121 -7.296 1.00 0.00 O ATOM 453 CB ALA B 72 2.073 1.276 -9.098 1.00 0.00 C ATOM 0 H ALA B 72 -0.584 1.414 -10.177 1.00 0.00 H new ATOM 0 HA ALA B 72 0.694 0.322 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA B 72 2.737 1.602 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA B 72 2.437 0.335 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.052 2.032 -9.883 1.00 0.00 H new ATOM 459 N LYS B 73 -1.179 2.609 -8.099 1.00 0.00 N ATOM 460 CA LYS B 73 -1.843 3.842 -7.712 1.00 0.00 C ATOM 461 C LYS B 73 -1.623 4.160 -6.236 1.00 0.00 C ATOM 462 O LYS B 73 -1.397 3.263 -5.426 1.00 0.00 O ATOM 463 CB LYS B 73 -3.337 3.702 -8.026 1.00 0.00 C ATOM 464 CG LYS B 73 -4.028 5.060 -8.175 1.00 0.00 C ATOM 465 CD LYS B 73 -3.631 5.715 -9.498 1.00 0.00 C ATOM 466 CE LYS B 73 -4.163 7.144 -9.538 1.00 0.00 C ATOM 467 NZ LYS B 73 -3.796 7.808 -10.802 1.00 0.00 N ATOM 0 H LYS B 73 -1.810 1.931 -8.527 1.00 0.00 H new ATOM 0 HA LYS B 73 -1.419 4.673 -8.276 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -3.461 3.131 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -3.822 3.135 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -5.110 4.932 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -3.753 5.709 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -2.546 5.716 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -4.032 5.143 -10.334 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -5.247 7.136 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -3.762 7.709 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -3.857 8.839 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -2.824 7.547 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -4.448 7.507 -11.554 1.00 0.00 H new ATOM 481 N SER B 74 -1.692 5.449 -5.892 1.00 0.00 N ATOM 482 CA SER B 74 -1.584 5.900 -4.518 1.00 0.00 C ATOM 483 C SER B 74 -2.551 7.049 -4.264 1.00 0.00 C ATOM 484 O SER B 74 -3.002 7.711 -5.195 1.00 0.00 O ATOM 485 CB SER B 74 -0.149 6.336 -4.215 1.00 0.00 C ATOM 486 OG SER B 74 0.241 7.378 -5.087 1.00 0.00 O ATOM 0 H SER B 74 -1.825 6.204 -6.565 1.00 0.00 H new ATOM 0 HA SER B 74 -1.843 5.073 -3.857 1.00 0.00 H new ATOM 0 HB2 SER B 74 -0.074 6.671 -3.180 1.00 0.00 H new ATOM 0 HB3 SER B 74 0.527 5.488 -4.325 1.00 0.00 H new ATOM 0 HG SER B 74 1.160 7.649 -4.882 1.00 0.00 H new ATOM 492 N PHE B 75 -2.861 7.273 -2.987 1.00 0.00 N ATOM 493 CA PHE B 75 -3.777 8.301 -2.521 1.00 0.00 C ATOM 494 C PHE B 75 -3.254 8.818 -1.191 1.00 0.00 C ATOM 495 O PHE B 75 -2.293 8.264 -0.657 1.00 0.00 O ATOM 496 CB PHE B 75 -5.172 7.699 -2.339 1.00 0.00 C ATOM 497 CG PHE B 75 -5.668 6.956 -3.558 1.00 0.00 C ATOM 498 CD1 PHE B 75 -5.215 5.652 -3.802 1.00 0.00 C ATOM 499 CD2 PHE B 75 -6.571 7.562 -4.441 1.00 0.00 C ATOM 500 CE1 PHE B 75 -5.632 4.967 -4.949 1.00 0.00 C ATOM 501 CE2 PHE B 75 -6.989 6.878 -5.589 1.00 0.00 C ATOM 502 CZ PHE B 75 -6.510 5.588 -5.848 1.00 0.00 C ATOM 0 H PHE B 75 -2.465 6.722 -2.226 1.00 0.00 H new ATOM 0 HA PHE B 75 -3.844 9.115 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE B 75 -5.158 7.018 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE B 75 -5.875 8.496 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE B 75 -4.543 5.175 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE B 75 -6.944 8.555 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE B 75 -5.279 3.964 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE B 75 -7.681 7.345 -6.274 1.00 0.00 H new ATOM 0 HZ PHE B 75 -6.818 5.070 -6.744 1.00 0.00 H new ATOM 512 N VAL B 76 -3.860 9.869 -0.636 1.00 0.00 N ATOM 513 CA VAL B 76 -3.418 10.312 0.675 1.00 0.00 C ATOM 514 C VAL B 76 -4.576 10.878 1.484 1.00 0.00 C ATOM 515 O VAL B 76 -5.601 11.277 0.939 1.00 0.00 O ATOM 516 CB VAL B 76 -2.219 11.269 0.528 1.00 0.00 C ATOM 517 CG1 VAL B 76 -2.321 12.149 -0.715 1.00 0.00 C ATOM 518 CG2 VAL B 76 -1.991 12.159 1.749 1.00 0.00 C ATOM 0 H VAL B 76 -4.622 10.404 -1.054 1.00 0.00 H new ATOM 0 HA VAL B 76 -3.062 9.459 1.253 1.00 0.00 H new ATOM 0 HB VAL B 76 -1.360 10.605 0.429 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.451 12.804 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.358 11.520 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -3.227 12.753 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -1.131 12.805 1.573 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.876 12.772 1.923 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.803 11.536 2.623 1.00 0.00 H new ATOM 528 N MET B 77 -4.390 10.904 2.802 1.00 0.00 N ATOM 529 CA MET B 77 -5.314 11.494 3.751 1.00 0.00 C ATOM 530 C MET B 77 -4.528 12.463 4.617 1.00 0.00 C ATOM 531 O MET B 77 -3.314 12.336 4.772 1.00 0.00 O ATOM 532 CB MET B 77 -5.893 10.408 4.667 1.00 0.00 C ATOM 533 CG MET B 77 -6.824 9.430 3.952 1.00 0.00 C ATOM 534 SD MET B 77 -8.336 10.155 3.274 1.00 0.00 S ATOM 535 CE MET B 77 -9.104 10.790 4.786 1.00 0.00 C ATOM 0 H MET B 77 -3.565 10.501 3.246 1.00 0.00 H new ATOM 0 HA MET B 77 -6.124 11.991 3.217 1.00 0.00 H new ATOM 0 HB2 MET B 77 -5.072 9.850 5.117 1.00 0.00 H new ATOM 0 HB3 MET B 77 -6.439 10.885 5.481 1.00 0.00 H new ATOM 0 HG2 MET B 77 -6.272 8.957 3.140 1.00 0.00 H new ATOM 0 HG3 MET B 77 -7.101 8.641 4.651 1.00 0.00 H new ATOM 0 HE1 MET B 77 -10.173 10.580 4.767 1.00 0.00 H new ATOM 0 HE2 MET B 77 -8.655 10.306 5.653 1.00 0.00 H new ATOM 0 HE3 MET B 77 -8.947 11.867 4.849 1.00 0.00 H new ATOM 545 N SER B 78 -5.231 13.435 5.182 1.00 0.00 N ATOM 546 CA SER B 78 -4.699 14.300 6.214 1.00 0.00 C ATOM 547 C SER B 78 -5.727 14.383 7.332 1.00 0.00 C ATOM 548 O SER B 78 -6.861 13.936 7.162 1.00 0.00 O ATOM 549 CB SER B 78 -4.364 15.677 5.642 1.00 0.00 C ATOM 550 OG SER B 78 -5.542 16.332 5.231 1.00 0.00 O ATOM 0 H SER B 78 -6.197 13.644 4.930 1.00 0.00 H new ATOM 0 HA SER B 78 -3.768 13.895 6.612 1.00 0.00 H new ATOM 0 HB2 SER B 78 -3.849 16.276 6.393 1.00 0.00 H new ATOM 0 HB3 SER B 78 -3.683 15.572 4.797 1.00 0.00 H new ATOM 0 HG SER B 78 -6.121 15.698 4.759 1.00 0.00 H new ATOM 556 N VAL B 79 -5.345 14.951 8.475 1.00 0.00 N ATOM 557 CA VAL B 79 -6.277 15.076 9.582 1.00 0.00 C ATOM 558 C VAL B 79 -5.983 16.343 10.366 1.00 0.00 C ATOM 559 O VAL B 79 -4.888 16.897 10.280 1.00 0.00 O ATOM 560 CB VAL B 79 -6.182 13.872 10.532 1.00 0.00 C ATOM 561 CG1 VAL B 79 -7.534 13.603 11.186 1.00 0.00 C ATOM 562 CG2 VAL B 79 -5.632 12.599 9.895 1.00 0.00 C ATOM 0 H VAL B 79 -4.413 15.324 8.653 1.00 0.00 H new ATOM 0 HA VAL B 79 -7.283 15.116 9.164 1.00 0.00 H new ATOM 0 HB VAL B 79 -5.450 14.155 11.288 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -7.450 12.747 11.856 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -7.844 14.480 11.754 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.275 13.389 10.416 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -5.601 11.804 10.640 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -6.276 12.298 9.069 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.625 12.785 9.521 1.00 0.00 H new ATOM 572 N VAL B 80 -6.976 16.791 11.132 1.00 0.00 N ATOM 573 CA VAL B 80 -6.829 17.865 12.093 1.00 0.00 C ATOM 574 C VAL B 80 -7.465 17.403 13.391 1.00 0.00 C ATOM 575 O VAL B 80 -8.685 17.279 13.488 1.00 0.00 O ATOM 576 CB VAL B 80 -7.463 19.165 11.600 1.00 0.00 C ATOM 577 CG1 VAL B 80 -7.280 20.245 12.669 1.00 0.00 C ATOM 578 CG2 VAL B 80 -6.803 19.633 10.304 1.00 0.00 C ATOM 0 H VAL B 80 -7.920 16.406 11.096 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.772 18.085 12.241 1.00 0.00 H new ATOM 0 HB VAL B 80 -8.522 18.988 11.411 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.730 21.177 12.326 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -7.763 19.928 13.593 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.217 20.401 12.851 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.270 20.560 9.972 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -5.741 19.804 10.478 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.926 18.869 9.536 1.00 0.00 H new ATOM 588 N VAL B 81 -6.621 17.150 14.387 1.00 0.00 N ATOM 589 CA VAL B 81 -7.054 16.678 15.691 1.00 0.00 C ATOM 590 C VAL B 81 -6.343 17.494 16.761 1.00 0.00 C ATOM 591 O VAL B 81 -5.149 17.759 16.642 1.00 0.00 O ATOM 592 CB VAL B 81 -6.754 15.178 15.826 1.00 0.00 C ATOM 593 CG1 VAL B 81 -5.323 14.852 15.401 1.00 0.00 C ATOM 594 CG2 VAL B 81 -6.987 14.704 17.260 1.00 0.00 C ATOM 0 H VAL B 81 -5.611 17.269 14.308 1.00 0.00 H new ATOM 0 HA VAL B 81 -8.130 16.808 15.810 1.00 0.00 H new ATOM 0 HB VAL B 81 -7.438 14.651 15.161 1.00 0.00 H new ATOM 0 HG11 VAL B 81 -5.146 13.782 15.510 1.00 0.00 H new ATOM 0 HG12 VAL B 81 -5.178 15.140 14.360 1.00 0.00 H new ATOM 0 HG13 VAL B 81 -4.623 15.401 16.030 1.00 0.00 H new ATOM 0 HG21 VAL B 81 -6.768 13.639 17.331 1.00 0.00 H new ATOM 0 HG22 VAL B 81 -6.333 15.255 17.936 1.00 0.00 H new ATOM 0 HG23 VAL B 81 -8.026 14.880 17.537 1.00 0.00 H new ATOM 604 N ASP B 82 -7.074 17.895 17.807 1.00 0.00 N ATOM 605 CA ASP B 82 -6.530 18.701 18.898 1.00 0.00 C ATOM 606 C ASP B 82 -5.916 20.020 18.403 1.00 0.00 C ATOM 607 O ASP B 82 -5.241 20.719 19.160 1.00 0.00 O ATOM 608 CB ASP B 82 -5.540 17.843 19.697 1.00 0.00 C ATOM 609 CG ASP B 82 -4.989 18.565 20.924 1.00 0.00 C ATOM 610 OD1 ASP B 82 -5.812 18.965 21.779 1.00 0.00 O ATOM 611 OD2 ASP B 82 -3.748 18.709 20.995 1.00 0.00 O ATOM 0 H ASP B 82 -8.062 17.667 17.918 1.00 0.00 H new ATOM 0 HA ASP B 82 -7.341 19.006 19.559 1.00 0.00 H new ATOM 0 HB2 ASP B 82 -6.035 16.925 20.013 1.00 0.00 H new ATOM 0 HB3 ASP B 82 -4.713 17.553 19.050 1.00 0.00 H new ATOM 616 N GLY B 83 -6.145 20.371 17.134 1.00 0.00 N ATOM 617 CA GLY B 83 -5.596 21.568 16.513 1.00 0.00 C ATOM 618 C GLY B 83 -4.317 21.259 15.744 1.00 0.00 C ATOM 619 O GLY B 83 -3.830 22.099 14.989 1.00 0.00 O ATOM 0 H GLY B 83 -6.727 19.819 16.504 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -6.334 22.000 15.837 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -5.390 22.315 17.279 1.00 0.00 H new ATOM 623 N GLN B 84 -3.773 20.055 15.933 1.00 0.00 N ATOM 624 CA GLN B 84 -2.591 19.599 15.229 1.00 0.00 C ATOM 625 C GLN B 84 -2.990 19.139 13.827 1.00 0.00 C ATOM 626 O GLN B 84 -4.177 19.006 13.536 1.00 0.00 O ATOM 627 CB GLN B 84 -1.958 18.447 16.013 1.00 0.00 C ATOM 628 CG GLN B 84 -1.599 18.897 17.429 1.00 0.00 C ATOM 629 CD GLN B 84 -0.964 17.776 18.244 1.00 0.00 C ATOM 630 OE1 GLN B 84 -0.036 17.114 17.789 1.00 0.00 O ATOM 631 NE2 GLN B 84 -1.459 17.553 19.459 1.00 0.00 N ATOM 0 H GLN B 84 -4.150 19.369 16.587 1.00 0.00 H new ATOM 0 HA GLN B 84 -1.866 20.408 15.141 1.00 0.00 H new ATOM 0 HB2 GLN B 84 -2.650 17.606 16.057 1.00 0.00 H new ATOM 0 HB3 GLN B 84 -1.063 18.097 15.498 1.00 0.00 H new ATOM 0 HG2 GLN B 84 -0.911 19.741 17.377 1.00 0.00 H new ATOM 0 HG3 GLN B 84 -2.498 19.249 17.936 1.00 0.00 H new ATOM 0 HE21 GLN B 84 -2.231 18.121 19.807 1.00 0.00 H new ATOM 0 HE22 GLN B 84 -1.066 16.814 20.042 1.00 0.00 H new ATOM 640 N PHE B 85 -2.007 18.892 12.958 1.00 0.00 N ATOM 641 CA PHE B 85 -2.267 18.453 11.594 1.00 0.00 C ATOM 642 C PHE B 85 -1.388 17.255 11.252 1.00 0.00 C ATOM 643 O PHE B 85 -0.243 17.175 11.695 1.00 0.00 O ATOM 644 CB PHE B 85 -2.001 19.609 10.627 1.00 0.00 C ATOM 645 CG PHE B 85 -2.060 19.207 9.170 1.00 0.00 C ATOM 646 CD1 PHE B 85 -3.285 19.187 8.490 1.00 0.00 C ATOM 647 CD2 PHE B 85 -0.883 18.847 8.495 1.00 0.00 C ATOM 648 CE1 PHE B 85 -3.336 18.807 7.143 1.00 0.00 C ATOM 649 CE2 PHE B 85 -0.933 18.469 7.147 1.00 0.00 C ATOM 650 CZ PHE B 85 -2.161 18.449 6.470 1.00 0.00 C ATOM 0 H PHE B 85 -1.017 18.991 13.182 1.00 0.00 H new ATOM 0 HA PHE B 85 -3.310 18.149 11.504 1.00 0.00 H new ATOM 0 HB2 PHE B 85 -2.732 20.398 10.807 1.00 0.00 H new ATOM 0 HB3 PHE B 85 -1.018 20.030 10.839 1.00 0.00 H new ATOM 0 HD1 PHE B 85 -4.192 19.465 9.006 1.00 0.00 H new ATOM 0 HD2 PHE B 85 0.063 18.861 9.016 1.00 0.00 H new ATOM 0 HE1 PHE B 85 -4.282 18.790 6.623 1.00 0.00 H new ATOM 0 HE2 PHE B 85 -0.026 18.193 6.629 1.00 0.00 H new ATOM 0 HZ PHE B 85 -2.201 18.158 5.431 1.00 0.00 H new ATOM 660 N PHE B 86 -1.932 16.326 10.460 1.00 0.00 N ATOM 661 CA PHE B 86 -1.215 15.124 10.057 1.00 0.00 C ATOM 662 C PHE B 86 -1.479 14.769 8.599 1.00 0.00 C ATOM 663 O PHE B 86 -2.387 15.314 7.975 1.00 0.00 O ATOM 664 CB PHE B 86 -1.632 13.973 10.972 1.00 0.00 C ATOM 665 CG PHE B 86 -1.334 14.276 12.421 1.00 0.00 C ATOM 666 CD1 PHE B 86 -2.266 14.967 13.206 1.00 0.00 C ATOM 667 CD2 PHE B 86 -0.114 13.871 12.971 1.00 0.00 C ATOM 668 CE1 PHE B 86 -1.963 15.280 14.539 1.00 0.00 C ATOM 669 CE2 PHE B 86 0.183 14.172 14.305 1.00 0.00 C ATOM 670 CZ PHE B 86 -0.739 14.876 15.091 1.00 0.00 C ATOM 0 H PHE B 86 -2.878 16.390 10.084 1.00 0.00 H new ATOM 0 HA PHE B 86 -0.145 15.307 10.150 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -2.698 13.781 10.852 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -1.109 13.064 10.675 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -3.217 15.258 12.785 1.00 0.00 H new ATOM 0 HD2 PHE B 86 0.598 13.327 12.368 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -2.671 15.831 15.140 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.126 13.861 14.730 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.507 15.107 16.120 1.00 0.00 H new ATOM 680 N GLU B 87 -0.674 13.850 8.062 1.00 0.00 N ATOM 681 CA GLU B 87 -0.786 13.374 6.692 1.00 0.00 C ATOM 682 C GLU B 87 -0.371 11.902 6.631 1.00 0.00 C ATOM 683 O GLU B 87 0.287 11.403 7.543 1.00 0.00 O ATOM 684 CB GLU B 87 0.096 14.253 5.797 1.00 0.00 C ATOM 685 CG GLU B 87 -0.123 13.972 4.311 1.00 0.00 C ATOM 686 CD GLU B 87 0.681 14.946 3.454 1.00 0.00 C ATOM 687 OE1 GLU B 87 1.866 14.641 3.193 1.00 0.00 O ATOM 688 OE2 GLU B 87 0.106 15.986 3.065 1.00 0.00 O ATOM 0 H GLU B 87 0.086 13.411 8.581 1.00 0.00 H new ATOM 0 HA GLU B 87 -1.814 13.442 6.337 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -0.115 15.303 6.001 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.144 14.085 6.046 1.00 0.00 H new ATOM 0 HG2 GLU B 87 0.173 12.948 4.082 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -1.183 14.059 4.072 1.00 0.00 H new ATOM 695 N GLY B 88 -0.751 11.201 5.560 1.00 0.00 N ATOM 696 CA GLY B 88 -0.425 9.795 5.389 1.00 0.00 C ATOM 697 C GLY B 88 -0.935 9.271 4.052 1.00 0.00 C ATOM 698 O GLY B 88 -2.144 9.195 3.836 1.00 0.00 O ATOM 0 H GLY B 88 -1.292 11.597 4.792 1.00 0.00 H new ATOM 0 HA2 GLY B 88 0.655 9.659 5.448 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -0.864 9.216 6.201 1.00 0.00 H new ATOM 702 N SER B 89 -0.019 8.909 3.148 1.00 0.00 N ATOM 703 CA SER B 89 -0.381 8.333 1.862 1.00 0.00 C ATOM 704 C SER B 89 -0.549 6.816 1.969 1.00 0.00 C ATOM 705 O SER B 89 -0.219 6.217 2.991 1.00 0.00 O ATOM 706 CB SER B 89 0.682 8.691 0.823 1.00 0.00 C ATOM 707 OG SER B 89 1.946 8.211 1.234 1.00 0.00 O ATOM 0 H SER B 89 0.986 9.009 3.292 1.00 0.00 H new ATOM 0 HA SER B 89 -1.339 8.748 1.547 1.00 0.00 H new ATOM 0 HB2 SER B 89 0.417 8.260 -0.142 1.00 0.00 H new ATOM 0 HB3 SER B 89 0.721 9.772 0.689 1.00 0.00 H new ATOM 0 HG SER B 89 2.619 8.444 0.561 1.00 0.00 H new ATOM 713 N GLY B 90 -1.068 6.194 0.907 1.00 0.00 N ATOM 714 CA GLY B 90 -1.247 4.752 0.849 1.00 0.00 C ATOM 715 C GLY B 90 -1.635 4.306 -0.557 1.00 0.00 C ATOM 716 O GLY B 90 -1.890 5.140 -1.422 1.00 0.00 O ATOM 0 H GLY B 90 -1.374 6.682 0.065 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -0.325 4.255 1.151 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -2.019 4.449 1.557 1.00 0.00 H new ATOM 720 N ARG B 91 -1.682 2.989 -0.790 1.00 0.00 N ATOM 721 CA ARG B 91 -2.047 2.451 -2.096 1.00 0.00 C ATOM 722 C ARG B 91 -3.527 2.664 -2.395 1.00 0.00 C ATOM 723 O ARG B 91 -3.925 2.672 -3.556 1.00 0.00 O ATOM 724 CB ARG B 91 -1.755 0.953 -2.152 1.00 0.00 C ATOM 725 CG ARG B 91 -0.266 0.660 -1.969 1.00 0.00 C ATOM 726 CD ARG B 91 -0.006 -0.830 -2.190 1.00 0.00 C ATOM 727 NE ARG B 91 -0.244 -1.206 -3.590 1.00 0.00 N ATOM 728 CZ ARG B 91 0.704 -1.295 -4.528 1.00 0.00 C ATOM 729 NH1 ARG B 91 1.982 -1.057 -4.238 1.00 0.00 N ATOM 730 NH2 ARG B 91 0.375 -1.624 -5.773 1.00 0.00 N ATOM 0 H ARG B 91 -1.471 2.280 -0.088 1.00 0.00 H new ATOM 0 HA ARG B 91 -1.453 2.982 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -2.325 0.442 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -2.090 0.552 -3.109 1.00 0.00 H new ATOM 0 HG2 ARG B 91 0.320 1.250 -2.673 1.00 0.00 H new ATOM 0 HG3 ARG B 91 0.052 0.950 -0.968 1.00 0.00 H new ATOM 0 HD2 ARG B 91 1.022 -1.068 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -0.653 -1.416 -1.538 1.00 0.00 H new ATOM 0 HE ARG B 91 -1.203 -1.415 -3.867 1.00 0.00 H new ATOM 0 HH11 ARG B 91 2.250 -0.802 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG B 91 2.692 -1.130 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -0.600 -1.808 -6.011 1.00 0.00 H new ATOM 0 HH22 ARG B 91 1.097 -1.692 -6.490 1.00 0.00 H new ATOM 744 N ASN B 92 -4.336 2.835 -1.349 1.00 0.00 N ATOM 745 CA ASN B 92 -5.764 3.078 -1.458 1.00 0.00 C ATOM 746 C ASN B 92 -6.181 4.060 -0.364 1.00 0.00 C ATOM 747 O ASN B 92 -5.407 4.341 0.552 1.00 0.00 O ATOM 748 CB ASN B 92 -6.527 1.752 -1.371 1.00 0.00 C ATOM 749 CG ASN B 92 -6.338 1.050 -0.037 1.00 0.00 C ATOM 750 OD1 ASN B 92 -6.839 1.512 0.982 1.00 0.00 O ATOM 751 ND2 ASN B 92 -5.616 -0.066 -0.029 1.00 0.00 N ATOM 0 H ASN B 92 -4.004 2.807 -0.385 1.00 0.00 H new ATOM 0 HA ASN B 92 -6.006 3.522 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -7.589 1.938 -1.531 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -6.194 1.093 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -5.463 -0.568 0.845 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -5.215 -0.420 -0.897 1.00 0.00 H new ATOM 758 N LYS B 93 -7.404 4.586 -0.457 1.00 0.00 N ATOM 759 CA LYS B 93 -7.883 5.613 0.459 1.00 0.00 C ATOM 760 C LYS B 93 -7.982 5.127 1.909 1.00 0.00 C ATOM 761 O LYS B 93 -7.820 5.926 2.830 1.00 0.00 O ATOM 762 CB LYS B 93 -9.226 6.142 -0.054 1.00 0.00 C ATOM 763 CG LYS B 93 -10.292 5.042 -0.117 1.00 0.00 C ATOM 764 CD LYS B 93 -11.583 5.567 -0.752 1.00 0.00 C ATOM 765 CE LYS B 93 -11.411 5.884 -2.240 1.00 0.00 C ATOM 766 NZ LYS B 93 -11.159 4.665 -3.032 1.00 0.00 N ATOM 0 H LYS B 93 -8.084 4.311 -1.166 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.152 6.421 0.480 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -9.572 6.945 0.597 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.091 6.573 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.915 4.198 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.500 4.674 0.888 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.373 4.826 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.905 6.466 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.307 6.381 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.583 6.580 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.249 4.884 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -10.198 4.317 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.851 3.933 -2.773 1.00 0.00 H new ATOM 780 N LYS B 94 -8.244 3.833 2.125 1.00 0.00 N ATOM 781 CA LYS B 94 -8.397 3.292 3.472 1.00 0.00 C ATOM 782 C LYS B 94 -7.036 3.111 4.136 1.00 0.00 C ATOM 783 O LYS B 94 -6.881 3.389 5.325 1.00 0.00 O ATOM 784 CB LYS B 94 -9.143 1.954 3.417 1.00 0.00 C ATOM 785 CG LYS B 94 -10.471 2.115 2.670 1.00 0.00 C ATOM 786 CD LYS B 94 -11.334 0.854 2.730 1.00 0.00 C ATOM 787 CE LYS B 94 -11.857 0.633 4.148 1.00 0.00 C ATOM 788 NZ LYS B 94 -12.958 -0.343 4.175 1.00 0.00 N ATOM 0 H LYS B 94 -8.354 3.144 1.381 1.00 0.00 H new ATOM 0 HA LYS B 94 -8.977 3.998 4.067 1.00 0.00 H new ATOM 0 HB2 LYS B 94 -8.526 1.206 2.919 1.00 0.00 H new ATOM 0 HB3 LYS B 94 -9.328 1.592 4.428 1.00 0.00 H new ATOM 0 HG2 LYS B 94 -11.025 2.951 3.097 1.00 0.00 H new ATOM 0 HG3 LYS B 94 -10.270 2.364 1.628 1.00 0.00 H new ATOM 0 HD2 LYS B 94 -12.171 0.945 2.037 1.00 0.00 H new ATOM 0 HD3 LYS B 94 -10.750 -0.010 2.412 1.00 0.00 H new ATOM 0 HE2 LYS B 94 -11.045 0.283 4.785 1.00 0.00 H new ATOM 0 HE3 LYS B 94 -12.201 1.581 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 94 -13.288 -0.468 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 94 -13.743 0.003 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 94 -12.623 -1.255 3.804 1.00 0.00 H new ATOM 802 N LEU B 95 -6.051 2.646 3.365 1.00 0.00 N ATOM 803 CA LEU B 95 -4.691 2.436 3.836 1.00 0.00 C ATOM 804 C LEU B 95 -4.062 3.788 4.161 1.00 0.00 C ATOM 805 O LEU B 95 -3.334 3.924 5.143 1.00 0.00 O ATOM 806 CB LEU B 95 -3.932 1.678 2.736 1.00 0.00 C ATOM 807 CG LEU B 95 -2.575 1.083 3.132 1.00 0.00 C ATOM 808 CD1 LEU B 95 -1.445 2.107 3.057 1.00 0.00 C ATOM 809 CD2 LEU B 95 -2.609 0.446 4.521 1.00 0.00 C ATOM 0 H LEU B 95 -6.183 2.403 2.383 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.659 1.843 4.750 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -4.568 0.869 2.377 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -3.776 2.357 1.898 1.00 0.00 H new ATOM 0 HG LEU B 95 -2.372 0.302 2.400 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -0.506 1.635 3.347 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -1.362 2.483 2.037 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.659 2.935 3.733 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -1.626 0.038 4.758 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -2.877 1.200 5.261 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.348 -0.355 4.536 1.00 0.00 H new ATOM 821 N ALA B 96 -4.347 4.792 3.328 1.00 0.00 N ATOM 822 CA ALA B 96 -3.882 6.150 3.544 1.00 0.00 C ATOM 823 C ALA B 96 -4.386 6.691 4.883 1.00 0.00 C ATOM 824 O ALA B 96 -3.619 7.302 5.628 1.00 0.00 O ATOM 825 CB ALA B 96 -4.358 7.021 2.382 1.00 0.00 C ATOM 0 H ALA B 96 -4.909 4.678 2.484 1.00 0.00 H new ATOM 0 HA ALA B 96 -2.793 6.163 3.582 1.00 0.00 H new ATOM 0 HB1 ALA B 96 -4.016 8.045 2.531 1.00 0.00 H new ATOM 0 HB2 ALA B 96 -3.951 6.635 1.447 1.00 0.00 H new ATOM 0 HB3 ALA B 96 -5.447 7.005 2.338 1.00 0.00 H new ATOM 831 N LYS B 97 -5.668 6.475 5.204 1.00 0.00 N ATOM 832 CA LYS B 97 -6.211 6.929 6.478 1.00 0.00 C ATOM 833 C LYS B 97 -5.532 6.211 7.637 1.00 0.00 C ATOM 834 O LYS B 97 -5.336 6.815 8.684 1.00 0.00 O ATOM 835 CB LYS B 97 -7.719 6.690 6.526 1.00 0.00 C ATOM 836 CG LYS B 97 -8.373 7.617 7.552 1.00 0.00 C ATOM 837 CD LYS B 97 -9.746 7.066 7.943 1.00 0.00 C ATOM 838 CE LYS B 97 -10.402 7.942 9.009 1.00 0.00 C ATOM 839 NZ LYS B 97 -11.013 9.144 8.418 1.00 0.00 N ATOM 0 H LYS B 97 -6.337 5.994 4.603 1.00 0.00 H new ATOM 0 HA LYS B 97 -6.019 7.998 6.571 1.00 0.00 H new ATOM 0 HB2 LYS B 97 -8.153 6.863 5.541 1.00 0.00 H new ATOM 0 HB3 LYS B 97 -7.921 5.651 6.785 1.00 0.00 H new ATOM 0 HG2 LYS B 97 -7.740 7.702 8.435 1.00 0.00 H new ATOM 0 HG3 LYS B 97 -8.477 8.619 7.136 1.00 0.00 H new ATOM 0 HD2 LYS B 97 -10.387 7.017 7.063 1.00 0.00 H new ATOM 0 HD3 LYS B 97 -9.640 6.048 8.318 1.00 0.00 H new ATOM 0 HE2 LYS B 97 -11.163 7.367 9.536 1.00 0.00 H new ATOM 0 HE3 LYS B 97 -9.657 8.237 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 -11.889 9.375 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 -10.350 9.942 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 -11.233 8.965 7.417 1.00 0.00 H new ATOM 853 N ALA B 98 -5.173 4.937 7.469 1.00 0.00 N ATOM 854 CA ALA B 98 -4.542 4.186 8.542 1.00 0.00 C ATOM 855 C ALA B 98 -3.169 4.771 8.867 1.00 0.00 C ATOM 856 O ALA B 98 -2.732 4.713 10.015 1.00 0.00 O ATOM 857 CB ALA B 98 -4.424 2.718 8.132 1.00 0.00 C ATOM 0 H ALA B 98 -5.309 4.412 6.605 1.00 0.00 H new ATOM 0 HA ALA B 98 -5.156 4.255 9.440 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -3.951 2.153 8.935 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -5.417 2.313 7.940 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -3.819 2.640 7.229 1.00 0.00 H new ATOM 863 N ARG B 99 -2.485 5.334 7.866 1.00 0.00 N ATOM 864 CA ARG B 99 -1.183 5.953 8.063 1.00 0.00 C ATOM 865 C ARG B 99 -1.327 7.295 8.778 1.00 0.00 C ATOM 866 O ARG B 99 -0.682 7.524 9.799 1.00 0.00 O ATOM 867 CB ARG B 99 -0.498 6.112 6.706 1.00 0.00 C ATOM 868 CG ARG B 99 0.957 6.534 6.908 1.00 0.00 C ATOM 869 CD ARG B 99 1.681 6.553 5.564 1.00 0.00 C ATOM 870 NE ARG B 99 3.083 6.955 5.721 1.00 0.00 N ATOM 871 CZ ARG B 99 4.089 6.116 5.989 1.00 0.00 C ATOM 872 NH1 ARG B 99 3.870 4.812 6.138 1.00 0.00 N ATOM 873 NH2 ARG B 99 5.329 6.583 6.109 1.00 0.00 N ATOM 0 H ARG B 99 -2.821 5.370 6.904 1.00 0.00 H new ATOM 0 HA ARG B 99 -0.565 5.317 8.697 1.00 0.00 H new ATOM 0 HB2 ARG B 99 -0.541 5.173 6.154 1.00 0.00 H new ATOM 0 HB3 ARG B 99 -1.023 6.857 6.108 1.00 0.00 H new ATOM 0 HG2 ARG B 99 0.998 7.521 7.368 1.00 0.00 H new ATOM 0 HG3 ARG B 99 1.454 5.844 7.590 1.00 0.00 H new ATOM 0 HD2 ARG B 99 1.633 5.564 5.108 1.00 0.00 H new ATOM 0 HD3 ARG B 99 1.176 7.242 4.886 1.00 0.00 H new ATOM 0 HE ARG B 99 3.306 7.945 5.618 1.00 0.00 H new ATOM 0 HH11 ARG B 99 2.924 4.440 6.048 1.00 0.00 H new ATOM 0 HH12 ARG B 99 4.648 4.184 6.342 1.00 0.00 H new ATOM 0 HH21 ARG B 99 5.512 7.580 5.997 1.00 0.00 H new ATOM 0 HH22 ARG B 99 6.097 5.944 6.313 1.00 0.00 H new ATOM 887 N ALA B 100 -2.171 8.183 8.248 1.00 0.00 N ATOM 888 CA ALA B 100 -2.398 9.500 8.822 1.00 0.00 C ATOM 889 C ALA B 100 -3.007 9.394 10.219 1.00 0.00 C ATOM 890 O ALA B 100 -2.679 10.187 11.100 1.00 0.00 O ATOM 891 CB ALA B 100 -3.329 10.284 7.897 1.00 0.00 C ATOM 0 H ALA B 100 -2.716 8.003 7.405 1.00 0.00 H new ATOM 0 HA ALA B 100 -1.444 10.018 8.918 1.00 0.00 H new ATOM 0 HB1 ALA B 100 -3.508 11.274 8.315 1.00 0.00 H new ATOM 0 HB2 ALA B 100 -2.867 10.383 6.915 1.00 0.00 H new ATOM 0 HB3 ALA B 100 -4.277 9.754 7.800 1.00 0.00 H new ATOM 897 N ALA B 101 -3.893 8.416 10.425 1.00 0.00 N ATOM 898 CA ALA B 101 -4.539 8.202 11.707 1.00 0.00 C ATOM 899 C ALA B 101 -3.551 7.637 12.724 1.00 0.00 C ATOM 900 O ALA B 101 -3.625 7.967 13.905 1.00 0.00 O ATOM 901 CB ALA B 101 -5.716 7.252 11.506 1.00 0.00 C ATOM 0 H ALA B 101 -4.178 7.754 9.703 1.00 0.00 H new ATOM 0 HA ALA B 101 -4.900 9.153 12.099 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -6.213 7.081 12.461 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -6.423 7.692 10.803 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -5.354 6.303 11.110 1.00 0.00 H new ATOM 907 N GLN B 102 -2.621 6.785 12.283 1.00 0.00 N ATOM 908 CA GLN B 102 -1.579 6.267 13.154 1.00 0.00 C ATOM 909 C GLN B 102 -0.652 7.397 13.590 1.00 0.00 C ATOM 910 O GLN B 102 -0.218 7.417 14.740 1.00 0.00 O ATOM 911 CB GLN B 102 -0.839 5.140 12.425 1.00 0.00 C ATOM 912 CG GLN B 102 0.452 4.698 13.123 1.00 0.00 C ATOM 913 CD GLN B 102 1.639 5.596 12.789 1.00 0.00 C ATOM 914 OE1 GLN B 102 1.972 5.789 11.624 1.00 0.00 O ATOM 915 NE2 GLN B 102 2.289 6.154 13.807 1.00 0.00 N ATOM 0 H GLN B 102 -2.574 6.442 11.323 1.00 0.00 H new ATOM 0 HA GLN B 102 -2.010 5.850 14.064 1.00 0.00 H new ATOM 0 HB2 GLN B 102 -1.504 4.281 12.333 1.00 0.00 H new ATOM 0 HB3 GLN B 102 -0.600 5.469 11.414 1.00 0.00 H new ATOM 0 HG2 GLN B 102 0.295 4.697 14.202 1.00 0.00 H new ATOM 0 HG3 GLN B 102 0.684 3.673 12.833 1.00 0.00 H new ATOM 0 HE21 GLN B 102 1.988 5.974 14.765 1.00 0.00 H new ATOM 0 HE22 GLN B 102 3.089 6.762 13.630 1.00 0.00 H new ATOM 924 N SER B 103 -0.342 8.340 12.692 1.00 0.00 N ATOM 925 CA SER B 103 0.469 9.492 13.063 1.00 0.00 C ATOM 926 C SER B 103 -0.286 10.365 14.061 1.00 0.00 C ATOM 927 O SER B 103 0.289 10.824 15.047 1.00 0.00 O ATOM 928 CB SER B 103 0.817 10.318 11.827 1.00 0.00 C ATOM 929 OG SER B 103 1.597 9.546 10.936 1.00 0.00 O ATOM 0 H SER B 103 -0.639 8.324 11.716 1.00 0.00 H new ATOM 0 HA SER B 103 1.390 9.132 13.522 1.00 0.00 H new ATOM 0 HB2 SER B 103 -0.096 10.649 11.332 1.00 0.00 H new ATOM 0 HB3 SER B 103 1.364 11.214 12.120 1.00 0.00 H new ATOM 0 HG SER B 103 1.028 8.882 10.494 1.00 0.00 H new ATOM 935 N ALA B 104 -1.578 10.592 13.802 1.00 0.00 N ATOM 936 CA ALA B 104 -2.426 11.387 14.672 1.00 0.00 C ATOM 937 C ALA B 104 -2.481 10.772 16.070 1.00 0.00 C ATOM 938 O ALA B 104 -2.363 11.481 17.066 1.00 0.00 O ATOM 939 CB ALA B 104 -3.820 11.468 14.050 1.00 0.00 C ATOM 0 H ALA B 104 -2.058 10.226 12.980 1.00 0.00 H new ATOM 0 HA ALA B 104 -2.018 12.393 14.774 1.00 0.00 H new ATOM 0 HB1 ALA B 104 -4.471 12.062 14.691 1.00 0.00 H new ATOM 0 HB2 ALA B 104 -3.753 11.936 13.068 1.00 0.00 H new ATOM 0 HB3 ALA B 104 -4.231 10.464 13.947 1.00 0.00 H new ATOM 945 N LEU B 105 -2.662 9.449 16.143 1.00 0.00 N ATOM 946 CA LEU B 105 -2.709 8.704 17.390 1.00 0.00 C ATOM 947 C LEU B 105 -1.389 8.860 18.138 1.00 0.00 C ATOM 948 O LEU B 105 -1.362 9.442 19.220 1.00 0.00 O ATOM 949 CB LEU B 105 -3.017 7.238 17.047 1.00 0.00 C ATOM 950 CG LEU B 105 -3.383 6.366 18.253 1.00 0.00 C ATOM 951 CD1 LEU B 105 -3.916 5.031 17.738 1.00 0.00 C ATOM 952 CD2 LEU B 105 -2.190 6.071 19.161 1.00 0.00 C ATOM 0 H LEU B 105 -2.781 8.862 15.317 1.00 0.00 H new ATOM 0 HA LEU B 105 -3.489 9.083 18.051 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.839 7.210 16.332 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -2.149 6.804 16.551 1.00 0.00 H new ATOM 0 HG LEU B 105 -4.122 6.915 18.837 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -4.182 4.395 18.582 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -4.798 5.205 17.122 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -3.148 4.539 17.141 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.513 5.450 19.996 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.422 5.545 18.594 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -1.782 7.007 19.542 1.00 0.00 H new ATOM 964 N ALA B 106 -0.292 8.346 17.574 1.00 0.00 N ATOM 965 CA ALA B 106 0.997 8.320 18.249 1.00 0.00 C ATOM 966 C ALA B 106 1.490 9.706 18.678 1.00 0.00 C ATOM 967 O ALA B 106 2.357 9.799 19.546 1.00 0.00 O ATOM 968 CB ALA B 106 2.015 7.651 17.326 1.00 0.00 C ATOM 0 H ALA B 106 -0.278 7.939 16.639 1.00 0.00 H new ATOM 0 HA ALA B 106 0.877 7.752 19.172 1.00 0.00 H new ATOM 0 HB1 ALA B 106 2.988 7.623 17.817 1.00 0.00 H new ATOM 0 HB2 ALA B 106 1.691 6.634 17.104 1.00 0.00 H new ATOM 0 HB3 ALA B 106 2.093 8.218 16.398 1.00 0.00 H new ATOM 974 N THR B 107 0.960 10.786 18.094 1.00 0.00 N ATOM 975 CA THR B 107 1.364 12.130 18.486 1.00 0.00 C ATOM 976 C THR B 107 0.429 12.695 19.548 1.00 0.00 C ATOM 977 O THR B 107 0.874 13.048 20.639 1.00 0.00 O ATOM 978 CB THR B 107 1.404 13.048 17.267 1.00 0.00 C ATOM 979 OG1 THR B 107 2.296 12.511 16.315 1.00 0.00 O ATOM 980 CG2 THR B 107 1.906 14.432 17.675 1.00 0.00 C ATOM 0 H THR B 107 0.257 10.752 17.356 1.00 0.00 H new ATOM 0 HA THR B 107 2.364 12.072 18.915 1.00 0.00 H new ATOM 0 HB THR B 107 0.401 13.130 16.848 1.00 0.00 H new ATOM 0 HG1 THR B 107 1.819 11.876 15.741 1.00 0.00 H new ATOM 0 HG21 THR B 107 1.932 15.082 16.800 1.00 0.00 H new ATOM 0 HG22 THR B 107 1.236 14.856 18.423 1.00 0.00 H new ATOM 0 HG23 THR B 107 2.909 14.347 18.094 1.00 0.00 H new ATOM 988 N VAL B 108 -0.867 12.784 19.238 1.00 0.00 N ATOM 989 CA VAL B 108 -1.850 13.394 20.123 1.00 0.00 C ATOM 990 C VAL B 108 -2.027 12.574 21.398 1.00 0.00 C ATOM 991 O VAL B 108 -2.383 13.124 22.438 1.00 0.00 O ATOM 992 CB VAL B 108 -3.181 13.521 19.371 1.00 0.00 C ATOM 993 CG1 VAL B 108 -4.269 14.178 20.219 1.00 0.00 C ATOM 994 CG2 VAL B 108 -2.990 14.389 18.129 1.00 0.00 C ATOM 0 H VAL B 108 -1.260 12.433 18.364 1.00 0.00 H new ATOM 0 HA VAL B 108 -1.500 14.383 20.420 1.00 0.00 H new ATOM 0 HB VAL B 108 -3.491 12.508 19.114 1.00 0.00 H new ATOM 0 HG11 VAL B 108 -5.191 14.244 19.641 1.00 0.00 H new ATOM 0 HG12 VAL B 108 -4.444 13.580 21.113 1.00 0.00 H new ATOM 0 HG13 VAL B 108 -3.950 15.179 20.509 1.00 0.00 H new ATOM 0 HG21 VAL B 108 -3.937 14.477 17.597 1.00 0.00 H new ATOM 0 HG22 VAL B 108 -2.648 15.380 18.427 1.00 0.00 H new ATOM 0 HG23 VAL B 108 -2.248 13.930 17.475 1.00 0.00 H new ATOM 1004 N PHE B 109 -1.783 11.261 21.332 1.00 0.00 N ATOM 1005 CA PHE B 109 -1.957 10.386 22.482 1.00 0.00 C ATOM 1006 C PHE B 109 -0.640 10.190 23.232 1.00 0.00 C ATOM 1007 O PHE B 109 -0.636 9.564 24.289 1.00 0.00 O ATOM 1008 CB PHE B 109 -2.480 9.018 22.041 1.00 0.00 C ATOM 1009 CG PHE B 109 -3.866 8.969 21.424 1.00 0.00 C ATOM 1010 CD1 PHE B 109 -4.543 10.126 21.002 1.00 0.00 C ATOM 1011 CD2 PHE B 109 -4.491 7.722 21.277 1.00 0.00 C ATOM 1012 CE1 PHE B 109 -5.837 10.040 20.479 1.00 0.00 C ATOM 1013 CE2 PHE B 109 -5.785 7.634 20.750 1.00 0.00 C ATOM 1014 CZ PHE B 109 -6.465 8.796 20.364 1.00 0.00 C ATOM 0 H PHE B 109 -1.463 10.785 20.488 1.00 0.00 H new ATOM 0 HA PHE B 109 -2.679 10.862 23.146 1.00 0.00 H new ATOM 0 HB2 PHE B 109 -1.775 8.604 21.320 1.00 0.00 H new ATOM 0 HB3 PHE B 109 -2.473 8.358 22.909 1.00 0.00 H new ATOM 0 HD1 PHE B 109 -4.060 11.089 21.082 1.00 0.00 H new ATOM 0 HD2 PHE B 109 -3.970 6.823 21.573 1.00 0.00 H new ATOM 0 HE1 PHE B 109 -6.352 10.935 20.164 1.00 0.00 H new ATOM 0 HE2 PHE B 109 -6.259 6.670 20.641 1.00 0.00 H new ATOM 0 HZ PHE B 109 -7.472 8.731 19.979 1.00 0.00 H new ATOM 1024 N ASN B 110 0.470 10.717 22.700 1.00 0.00 N ATOM 1025 CA ASN B 110 1.795 10.572 23.292 1.00 0.00 C ATOM 1026 C ASN B 110 2.214 9.103 23.437 1.00 0.00 C ATOM 1027 O ASN B 110 3.078 8.784 24.252 1.00 0.00 O ATOM 1028 CB ASN B 110 1.853 11.326 24.623 1.00 0.00 C ATOM 1029 CG ASN B 110 1.595 12.817 24.455 1.00 0.00 C ATOM 1030 OD1 ASN B 110 2.503 13.629 24.601 1.00 0.00 O ATOM 1031 ND2 ASN B 110 0.357 13.192 24.148 1.00 0.00 N ATOM 0 H ASN B 110 0.468 11.261 21.837 1.00 0.00 H new ATOM 0 HA ASN B 110 2.522 11.017 22.613 1.00 0.00 H new ATOM 0 HB2 ASN B 110 1.116 10.907 25.308 1.00 0.00 H new ATOM 0 HB3 ASN B 110 2.832 11.178 25.079 1.00 0.00 H new ATOM 0 HD21 ASN B 110 0.139 14.181 24.027 1.00 0.00 H new ATOM 0 HD22 ASN B 110 -0.375 12.491 24.034 1.00 0.00 H new ATOM 1038 N LEU B 111 1.606 8.208 22.650 1.00 0.00 N ATOM 1039 CA LEU B 111 1.848 6.772 22.714 1.00 0.00 C ATOM 1040 C LEU B 111 2.338 6.243 21.365 1.00 0.00 C ATOM 1041 O LEU B 111 2.697 7.019 20.483 1.00 0.00 O ATOM 1042 CB LEU B 111 0.571 6.068 23.187 1.00 0.00 C ATOM 1043 CG LEU B 111 0.272 6.383 24.657 1.00 0.00 C ATOM 1044 CD1 LEU B 111 -1.146 5.923 24.989 1.00 0.00 C ATOM 1045 CD2 LEU B 111 1.250 5.653 25.577 1.00 0.00 C ATOM 0 H LEU B 111 0.922 8.471 21.941 1.00 0.00 H new ATOM 0 HA LEU B 111 2.639 6.562 23.434 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -0.270 6.381 22.568 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.678 4.991 23.058 1.00 0.00 H new ATOM 0 HG LEU B 111 0.374 7.457 24.809 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -1.365 6.144 26.034 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.857 6.447 24.350 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -1.229 4.849 24.820 1.00 0.00 H new ATOM 0 HD21 LEU B 111 1.019 5.891 26.615 1.00 0.00 H new ATOM 0 HD22 LEU B 111 1.161 4.578 25.423 1.00 0.00 H new ATOM 0 HD23 LEU B 111 2.268 5.969 25.350 1.00 0.00 H new ATOM 1057 N HIS B 112 2.358 4.917 21.203 1.00 0.00 N ATOM 1058 CA HIS B 112 2.825 4.266 19.989 1.00 0.00 C ATOM 1059 C HIS B 112 1.799 3.233 19.517 1.00 0.00 C ATOM 1060 O HIS B 112 0.741 3.084 20.131 1.00 0.00 O ATOM 1061 CB HIS B 112 4.202 3.659 20.258 1.00 0.00 C ATOM 1062 CG HIS B 112 4.890 3.148 19.019 1.00 0.00 C ATOM 1063 ND1 HIS B 112 5.179 1.833 18.734 1.00 0.00 N ATOM 1064 CD2 HIS B 112 5.341 3.912 17.975 1.00 0.00 C ATOM 1065 CE1 HIS B 112 5.791 1.807 17.537 1.00 0.00 C ATOM 1066 NE2 HIS B 112 5.914 3.049 17.035 1.00 0.00 N ATOM 0 H HIS B 112 2.046 4.264 21.922 1.00 0.00 H new ATOM 0 HA HIS B 112 2.930 4.987 19.178 1.00 0.00 H new ATOM 0 HB2 HIS B 112 4.835 4.410 20.731 1.00 0.00 H new ATOM 0 HB3 HIS B 112 4.096 2.839 20.968 1.00 0.00 H new ATOM 0 HD2 HIS B 112 5.267 4.986 17.893 1.00 0.00 H new ATOM 0 HE1 HIS B 112 6.137 0.910 17.045 1.00 0.00 H new ATOM 0 HE2 HIS B 112 6.340 3.310 16.146 1.00 0.00 H new ATOM 1074 N LEU B 113 2.104 2.518 18.429 1.00 0.00 N ATOM 1075 CA LEU B 113 1.205 1.541 17.833 1.00 0.00 C ATOM 1076 C LEU B 113 1.917 0.200 17.656 1.00 0.00 C ATOM 1077 O LEU B 113 1.487 -0.766 18.325 1.00 0.00 O ATOM 1078 CB LEU B 113 0.687 2.093 16.500 1.00 0.00 C ATOM 1079 CG LEU B 113 -0.394 1.193 15.896 1.00 0.00 C ATOM 1080 CD1 LEU B 113 -1.693 1.312 16.694 1.00 0.00 C ATOM 1081 CD2 LEU B 113 -0.664 1.625 14.458 1.00 0.00 C ATOM 1082 OXT LEU B 113 2.878 0.152 16.858 1.00 0.00 O ATOM 0 H LEU B 113 2.993 2.607 17.937 1.00 0.00 H new ATOM 0 HA LEU B 113 0.354 1.365 18.490 1.00 0.00 H new ATOM 0 HB2 LEU B 113 0.283 3.094 16.653 1.00 0.00 H new ATOM 0 HB3 LEU B 113 1.516 2.187 15.798 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.046 0.161 15.924 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.452 0.666 16.252 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -1.515 1.009 17.726 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.039 2.345 16.673 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.433 0.986 14.025 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -1.004 2.661 14.447 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.252 1.537 13.874 1.00 0.00 H new