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 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.16) 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 180:sc= 0 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 71 HIS :FLIP no HD1:sc= -0.167 F(o=-0.7,f=-0.17) USER MOD Single : B 73 LYS NZ :NH3+ -152:sc= 1.8 (180deg=1.16) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl -140:sc= -0.136 (180deg=-0.493) USER MOD Single : B 78 SER OG : rot -50:sc= 0.95 USER MOD Single : B 84 GLN : amide:sc= 0.575 K(o=0.57,f=-1.5) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -1.15 K(o=-1.2,f=-7.2!) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 136:sc= 2.28 (180deg=0.739) USER MOD Single : B 102 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2!) USER MOD Single : B 103 SER OG : rot 74:sc= 0.186 USER MOD Single : B 107 THR OG1 : rot 86:sc= 0.604 USER MOD Single : B 110 ASN :FLIP amide:sc= -0.0817 F(o=-1.1,f=-0.082) USER MOD Single : B 112 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO B 48 -4.893 2.286 12.852 1.00 0.00 N ATOM 72 CA PRO B 48 -4.622 3.301 13.857 1.00 0.00 C ATOM 73 C PRO B 48 -5.738 4.344 13.898 1.00 0.00 C ATOM 74 O PRO B 48 -5.766 5.183 14.796 1.00 0.00 O ATOM 75 CB PRO B 48 -3.289 3.921 13.440 1.00 0.00 C ATOM 76 CG PRO B 48 -3.284 3.772 11.921 1.00 0.00 C ATOM 77 CD PRO B 48 -4.070 2.484 11.673 1.00 0.00 C ATOM 0 HA PRO B 48 -4.574 2.883 14.862 1.00 0.00 H new ATOM 0 HB2 PRO B 48 -3.222 4.967 13.741 1.00 0.00 H new ATOM 0 HB3 PRO B 48 -2.446 3.403 13.897 1.00 0.00 H new ATOM 0 HG2 PRO B 48 -3.754 4.627 11.435 1.00 0.00 H new ATOM 0 HG3 PRO B 48 -2.269 3.702 11.530 1.00 0.00 H new ATOM 0 HD2 PRO B 48 -4.685 2.568 10.777 1.00 0.00 H new ATOM 0 HD3 PRO B 48 -3.398 1.640 11.520 1.00 0.00 H new ATOM 85 N VAL B 49 -6.660 4.299 12.931 1.00 0.00 N ATOM 86 CA VAL B 49 -7.797 5.207 12.890 1.00 0.00 C ATOM 87 C VAL B 49 -8.685 4.992 14.113 1.00 0.00 C ATOM 88 O VAL B 49 -9.066 5.955 14.774 1.00 0.00 O ATOM 89 CB VAL B 49 -8.601 4.984 11.604 1.00 0.00 C ATOM 90 CG1 VAL B 49 -9.758 5.980 11.537 1.00 0.00 C ATOM 91 CG2 VAL B 49 -7.711 5.184 10.378 1.00 0.00 C ATOM 0 H VAL B 49 -6.634 3.632 12.160 1.00 0.00 H new ATOM 0 HA VAL B 49 -7.430 6.233 12.901 1.00 0.00 H new ATOM 0 HB VAL B 49 -8.985 3.964 11.612 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -10.326 5.817 10.621 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -10.410 5.838 12.399 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.364 6.996 11.544 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -8.297 5.022 9.473 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.315 6.200 10.377 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.885 4.473 10.408 1.00 0.00 H new ATOM 101 N MET B 50 -9.016 3.733 14.419 1.00 0.00 N ATOM 102 CA MET B 50 -9.901 3.410 15.528 1.00 0.00 C ATOM 103 C MET B 50 -9.257 3.674 16.884 1.00 0.00 C ATOM 104 O MET B 50 -9.905 4.255 17.751 1.00 0.00 O ATOM 105 CB MET B 50 -10.350 1.953 15.427 1.00 0.00 C ATOM 106 CG MET B 50 -11.649 1.890 14.627 1.00 0.00 C ATOM 107 SD MET B 50 -13.041 2.677 15.486 1.00 0.00 S ATOM 108 CE MET B 50 -14.257 2.682 14.149 1.00 0.00 C ATOM 0 H MET B 50 -8.678 2.919 13.905 1.00 0.00 H new ATOM 0 HA MET B 50 -10.768 4.067 15.456 1.00 0.00 H new ATOM 0 HB2 MET B 50 -9.579 1.354 14.942 1.00 0.00 H new ATOM 0 HB3 MET B 50 -10.500 1.535 16.422 1.00 0.00 H new ATOM 0 HG2 MET B 50 -11.501 2.376 13.663 1.00 0.00 H new ATOM 0 HG3 MET B 50 -11.895 0.848 14.424 1.00 0.00 H new ATOM 0 HE1 MET B 50 -15.184 3.134 14.502 1.00 0.00 H new ATOM 0 HE2 MET B 50 -13.870 3.257 13.307 1.00 0.00 H new ATOM 0 HE3 MET B 50 -14.451 1.658 13.830 1.00 0.00 H new ATOM 118 N ILE B 51 -8.003 3.265 17.098 1.00 0.00 N ATOM 119 CA ILE B 51 -7.375 3.516 18.389 1.00 0.00 C ATOM 120 C ILE B 51 -7.309 5.015 18.671 1.00 0.00 C ATOM 121 O ILE B 51 -7.462 5.422 19.819 1.00 0.00 O ATOM 122 CB ILE B 51 -5.994 2.854 18.491 1.00 0.00 C ATOM 123 CG1 ILE B 51 -5.200 2.961 17.191 1.00 0.00 C ATOM 124 CG2 ILE B 51 -6.189 1.393 18.897 1.00 0.00 C ATOM 125 CD1 ILE B 51 -3.773 2.442 17.372 1.00 0.00 C ATOM 0 H ILE B 51 -7.423 2.775 16.417 1.00 0.00 H new ATOM 0 HA ILE B 51 -7.996 3.057 19.159 1.00 0.00 H new ATOM 0 HB ILE B 51 -5.408 3.379 19.245 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.701 2.392 16.408 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -5.173 4.000 16.862 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -5.218 0.904 18.975 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -6.696 1.348 19.861 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -6.792 0.884 18.145 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -3.231 2.531 16.430 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -3.267 3.029 18.138 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -3.802 1.396 17.677 1.00 0.00 H new ATOM 137 N LEU B 52 -7.085 5.844 17.648 1.00 0.00 N ATOM 138 CA LEU B 52 -7.136 7.289 17.809 1.00 0.00 C ATOM 139 C LEU B 52 -8.567 7.695 18.176 1.00 0.00 C ATOM 140 O LEU B 52 -8.793 8.376 19.175 1.00 0.00 O ATOM 141 CB LEU B 52 -6.665 7.948 16.505 1.00 0.00 C ATOM 142 CG LEU B 52 -6.260 9.418 16.660 1.00 0.00 C ATOM 143 CD1 LEU B 52 -5.701 9.908 15.325 1.00 0.00 C ATOM 144 CD2 LEU B 52 -7.431 10.326 17.033 1.00 0.00 C ATOM 0 H LEU B 52 -6.867 5.533 16.701 1.00 0.00 H new ATOM 0 HA LEU B 52 -6.477 7.622 18.611 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.816 7.388 16.113 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -7.463 7.878 15.766 1.00 0.00 H new ATOM 0 HG LEU B 52 -5.527 9.467 17.465 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -5.407 10.954 15.416 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -4.832 9.309 15.052 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.465 9.811 14.553 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -7.079 11.353 17.128 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.194 10.274 16.256 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.857 9.999 17.982 1.00 0.00 H new ATOM 156 N ASN B 53 -9.530 7.266 17.353 1.00 0.00 N ATOM 157 CA ASN B 53 -10.948 7.576 17.477 1.00 0.00 C ATOM 158 C ASN B 53 -11.570 7.081 18.789 1.00 0.00 C ATOM 159 O ASN B 53 -12.701 7.450 19.098 1.00 0.00 O ATOM 160 CB ASN B 53 -11.656 6.950 16.272 1.00 0.00 C ATOM 161 CG ASN B 53 -13.165 7.151 16.294 1.00 0.00 C ATOM 162 OD1 ASN B 53 -13.653 8.277 16.320 1.00 0.00 O ATOM 163 ND2 ASN B 53 -13.912 6.050 16.285 1.00 0.00 N ATOM 0 H ASN B 53 -9.328 6.669 16.551 1.00 0.00 H new ATOM 0 HA ASN B 53 -11.069 8.659 17.496 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -11.252 7.381 15.356 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -11.438 5.882 16.245 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -14.929 6.124 16.300 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -13.467 5.132 16.263 1.00 0.00 H new ATOM 170 N GLU B 54 -10.860 6.256 19.567 1.00 0.00 N ATOM 171 CA GLU B 54 -11.389 5.732 20.822 1.00 0.00 C ATOM 172 C GLU B 54 -10.612 6.255 22.028 1.00 0.00 C ATOM 173 O GLU B 54 -11.114 6.200 23.150 1.00 0.00 O ATOM 174 CB GLU B 54 -11.334 4.204 20.815 1.00 0.00 C ATOM 175 CG GLU B 54 -12.349 3.604 19.846 1.00 0.00 C ATOM 176 CD GLU B 54 -12.311 2.078 19.919 1.00 0.00 C ATOM 177 OE1 GLU B 54 -12.932 1.531 20.858 1.00 0.00 O ATOM 178 OE2 GLU B 54 -11.665 1.469 19.037 1.00 0.00 O ATOM 0 H GLU B 54 -9.916 5.939 19.345 1.00 0.00 H new ATOM 0 HA GLU B 54 -12.421 6.071 20.907 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -10.331 3.878 20.539 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -11.526 3.829 21.820 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -13.350 3.962 20.088 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -12.130 3.932 18.830 1.00 0.00 H new ATOM 185 N LEU B 55 -9.397 6.762 21.810 1.00 0.00 N ATOM 186 CA LEU B 55 -8.577 7.282 22.891 1.00 0.00 C ATOM 187 C LEU B 55 -8.886 8.757 23.108 1.00 0.00 C ATOM 188 O LEU B 55 -9.128 9.181 24.238 1.00 0.00 O ATOM 189 CB LEU B 55 -7.109 7.066 22.528 1.00 0.00 C ATOM 190 CG LEU B 55 -6.208 6.890 23.751 1.00 0.00 C ATOM 191 CD1 LEU B 55 -4.986 6.082 23.318 1.00 0.00 C ATOM 192 CD2 LEU B 55 -5.766 8.238 24.314 1.00 0.00 C ATOM 0 H LEU B 55 -8.963 6.821 20.889 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.792 6.760 23.823 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -7.024 6.185 21.892 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.757 7.916 21.944 1.00 0.00 H new ATOM 0 HG LEU B 55 -6.759 6.373 24.537 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -4.323 5.940 24.171 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -5.307 5.111 22.942 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -4.455 6.618 22.531 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -5.127 8.078 25.182 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -5.212 8.787 23.552 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -6.643 8.814 24.610 1.00 0.00 H new ATOM 204 N ARG B 56 -8.877 9.538 22.023 1.00 0.00 N ATOM 205 CA ARG B 56 -9.158 10.960 22.092 1.00 0.00 C ATOM 206 C ARG B 56 -9.600 11.492 20.725 1.00 0.00 C ATOM 207 O ARG B 56 -8.778 12.032 19.984 1.00 0.00 O ATOM 208 CB ARG B 56 -7.919 11.689 22.611 1.00 0.00 C ATOM 209 CG ARG B 56 -8.194 13.187 22.760 1.00 0.00 C ATOM 210 CD ARG B 56 -7.499 13.714 24.015 1.00 0.00 C ATOM 211 NE ARG B 56 -6.064 13.401 24.024 1.00 0.00 N ATOM 212 CZ ARG B 56 -5.115 14.114 23.414 1.00 0.00 C ATOM 213 NH1 ARG B 56 -5.418 15.213 22.725 1.00 0.00 N ATOM 214 NH2 ARG B 56 -3.848 13.719 23.496 1.00 0.00 N ATOM 0 H ARG B 56 -8.675 9.198 21.083 1.00 0.00 H new ATOM 0 HA ARG B 56 -9.982 11.139 22.783 1.00 0.00 H new ATOM 0 HB2 ARG B 56 -7.622 11.272 23.573 1.00 0.00 H new ATOM 0 HB3 ARG B 56 -7.086 11.534 21.925 1.00 0.00 H new ATOM 0 HG2 ARG B 56 -7.834 13.722 21.881 1.00 0.00 H new ATOM 0 HG3 ARG B 56 -9.267 13.365 22.825 1.00 0.00 H new ATOM 0 HD2 ARG B 56 -7.635 14.794 24.078 1.00 0.00 H new ATOM 0 HD3 ARG B 56 -7.970 13.282 24.898 1.00 0.00 H new ATOM 0 HE ARG B 56 -5.769 12.571 24.538 1.00 0.00 H new ATOM 0 HH11 ARG B 56 -6.388 15.521 22.658 1.00 0.00 H new ATOM 0 HH12 ARG B 56 -4.680 15.746 22.265 1.00 0.00 H new ATOM 0 HH21 ARG B 56 -3.609 12.878 24.021 1.00 0.00 H new ATOM 0 HH22 ARG B 56 -3.115 14.257 23.033 1.00 0.00 H new ATOM 228 N PRO B 57 -10.886 11.349 20.377 1.00 0.00 N ATOM 229 CA PRO B 57 -11.454 11.906 19.158 1.00 0.00 C ATOM 230 C PRO B 57 -11.572 13.424 19.293 1.00 0.00 C ATOM 231 O PRO B 57 -11.227 13.983 20.335 1.00 0.00 O ATOM 232 CB PRO B 57 -12.824 11.240 19.022 1.00 0.00 C ATOM 233 CG PRO B 57 -13.226 10.989 20.473 1.00 0.00 C ATOM 234 CD PRO B 57 -11.896 10.638 21.139 1.00 0.00 C ATOM 0 HA PRO B 57 -10.840 11.722 18.276 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -13.538 11.886 18.511 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.768 10.313 18.452 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -13.684 11.870 20.924 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -13.947 10.176 20.558 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -11.887 10.944 22.185 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -11.718 9.563 21.120 1.00 0.00 H new ATOM 242 N GLY B 58 -12.058 14.101 18.247 1.00 0.00 N ATOM 243 CA GLY B 58 -12.183 15.553 18.267 1.00 0.00 C ATOM 244 C GLY B 58 -11.394 16.216 17.144 1.00 0.00 C ATOM 245 O GLY B 58 -10.913 17.337 17.308 1.00 0.00 O ATOM 0 H GLY B 58 -12.369 13.663 17.380 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -13.235 15.826 18.180 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -11.833 15.933 19.227 1.00 0.00 H new ATOM 249 N LEU B 59 -11.258 15.531 16.006 1.00 0.00 N ATOM 250 CA LEU B 59 -10.431 15.970 14.900 1.00 0.00 C ATOM 251 C LEU B 59 -11.251 16.066 13.620 1.00 0.00 C ATOM 252 O LEU B 59 -12.473 15.919 13.637 1.00 0.00 O ATOM 253 CB LEU B 59 -9.261 14.999 14.736 1.00 0.00 C ATOM 254 CG LEU B 59 -9.648 13.525 14.863 1.00 0.00 C ATOM 255 CD1 LEU B 59 -10.721 13.122 13.856 1.00 0.00 C ATOM 256 CD2 LEU B 59 -8.384 12.713 14.601 1.00 0.00 C ATOM 0 H LEU B 59 -11.730 14.644 15.833 1.00 0.00 H new ATOM 0 HA LEU B 59 -10.040 16.965 15.110 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -8.804 15.160 13.760 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -8.504 15.230 15.485 1.00 0.00 H new ATOM 0 HG LEU B 59 -10.059 13.343 15.856 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -10.963 12.067 13.985 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.616 13.722 14.019 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -10.351 13.289 12.844 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -8.611 11.650 14.681 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -8.013 12.930 13.599 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -7.623 12.977 15.335 1.00 0.00 H new ATOM 268 N LYS B 60 -10.557 16.315 12.510 1.00 0.00 N ATOM 269 CA LYS B 60 -11.151 16.339 11.187 1.00 0.00 C ATOM 270 C LYS B 60 -10.103 15.865 10.182 1.00 0.00 C ATOM 271 O LYS B 60 -8.913 15.958 10.466 1.00 0.00 O ATOM 272 CB LYS B 60 -11.605 17.774 10.899 1.00 0.00 C ATOM 273 CG LYS B 60 -10.405 18.630 10.485 1.00 0.00 C ATOM 274 CD LYS B 60 -10.760 20.114 10.487 1.00 0.00 C ATOM 275 CE LYS B 60 -11.112 20.496 11.918 1.00 0.00 C ATOM 276 NZ LYS B 60 -11.419 21.935 12.033 1.00 0.00 N ATOM 0 H LYS B 60 -9.555 16.507 12.511 1.00 0.00 H new ATOM 0 HA LYS B 60 -12.016 15.680 11.115 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -12.354 17.775 10.107 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -12.077 18.199 11.784 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.574 18.451 11.168 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -10.070 18.335 9.491 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -9.922 20.710 10.126 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -11.600 20.309 9.820 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -11.970 19.912 12.251 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -10.281 20.246 12.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -11.655 22.162 13.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -10.591 22.491 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -12.228 22.167 11.422 1.00 0.00 H new ATOM 290 N TYR B 61 -10.524 15.363 9.021 1.00 0.00 N ATOM 291 CA TYR B 61 -9.597 14.875 8.007 1.00 0.00 C ATOM 292 C TYR B 61 -9.880 15.544 6.669 1.00 0.00 C ATOM 293 O TYR B 61 -10.996 15.991 6.407 1.00 0.00 O ATOM 294 CB TYR B 61 -9.734 13.355 7.872 1.00 0.00 C ATOM 295 CG TYR B 61 -9.038 12.556 8.952 1.00 0.00 C ATOM 296 CD1 TYR B 61 -9.558 12.509 10.254 1.00 0.00 C ATOM 297 CD2 TYR B 61 -7.863 11.857 8.642 1.00 0.00 C ATOM 298 CE1 TYR B 61 -8.903 11.761 11.244 1.00 0.00 C ATOM 299 CE2 TYR B 61 -7.223 11.076 9.615 1.00 0.00 C ATOM 300 CZ TYR B 61 -7.743 11.028 10.924 1.00 0.00 C ATOM 301 OH TYR B 61 -7.130 10.278 11.881 1.00 0.00 O ATOM 0 H TYR B 61 -11.507 15.285 8.761 1.00 0.00 H new ATOM 0 HA TYR B 61 -8.579 15.119 8.310 1.00 0.00 H new ATOM 0 HB2 TYR B 61 -10.793 13.098 7.876 1.00 0.00 H new ATOM 0 HB3 TYR B 61 -9.336 13.053 6.903 1.00 0.00 H new ATOM 0 HD1 TYR B 61 -10.462 13.048 10.494 1.00 0.00 H new ATOM 0 HD2 TYR B 61 -7.448 11.920 7.647 1.00 0.00 H new ATOM 0 HE1 TYR B 61 -9.289 11.747 12.253 1.00 0.00 H new ATOM 0 HE2 TYR B 61 -6.336 10.514 9.363 1.00 0.00 H new ATOM 0 HH TYR B 61 -7.797 9.963 12.527 1.00 0.00 H new ATOM 311 N ASP B 62 -8.851 15.603 5.822 1.00 0.00 N ATOM 312 CA ASP B 62 -8.966 16.156 4.484 1.00 0.00 C ATOM 313 C ASP B 62 -8.166 15.319 3.493 1.00 0.00 C ATOM 314 O ASP B 62 -6.938 15.295 3.546 1.00 0.00 O ATOM 315 CB ASP B 62 -8.503 17.613 4.466 1.00 0.00 C ATOM 316 CG ASP B 62 -9.472 18.522 5.219 1.00 0.00 C ATOM 317 OD1 ASP B 62 -10.515 18.872 4.621 1.00 0.00 O ATOM 318 OD2 ASP B 62 -9.164 18.858 6.383 1.00 0.00 O ATOM 0 H ASP B 62 -7.916 15.267 6.051 1.00 0.00 H new ATOM 0 HA ASP B 62 -10.014 16.129 4.185 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -7.512 17.686 4.915 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -8.412 17.953 3.435 1.00 0.00 H new ATOM 323 N PHE B 63 -8.858 14.631 2.582 1.00 0.00 N ATOM 324 CA PHE B 63 -8.223 13.875 1.513 1.00 0.00 C ATOM 325 C PHE B 63 -7.556 14.825 0.523 1.00 0.00 C ATOM 326 O PHE B 63 -8.034 15.940 0.314 1.00 0.00 O ATOM 327 CB PHE B 63 -9.302 13.059 0.802 1.00 0.00 C ATOM 328 CG PHE B 63 -8.892 12.489 -0.537 1.00 0.00 C ATOM 329 CD1 PHE B 63 -8.199 11.273 -0.611 1.00 0.00 C ATOM 330 CD2 PHE B 63 -9.209 13.184 -1.714 1.00 0.00 C ATOM 331 CE1 PHE B 63 -7.825 10.756 -1.857 1.00 0.00 C ATOM 332 CE2 PHE B 63 -8.835 12.666 -2.961 1.00 0.00 C ATOM 333 CZ PHE B 63 -8.143 11.450 -3.033 1.00 0.00 C ATOM 0 H PHE B 63 -9.877 14.586 2.569 1.00 0.00 H new ATOM 0 HA PHE B 63 -7.459 13.216 1.924 1.00 0.00 H new ATOM 0 HB2 PHE B 63 -9.604 12.238 1.453 1.00 0.00 H new ATOM 0 HB3 PHE B 63 -10.179 13.691 0.658 1.00 0.00 H new ATOM 0 HD1 PHE B 63 -7.954 10.735 0.293 1.00 0.00 H new ATOM 0 HD2 PHE B 63 -9.743 14.121 -1.659 1.00 0.00 H new ATOM 0 HE1 PHE B 63 -7.290 9.820 -1.913 1.00 0.00 H new ATOM 0 HE2 PHE B 63 -9.080 13.203 -3.865 1.00 0.00 H new ATOM 0 HZ PHE B 63 -7.855 11.048 -3.993 1.00 0.00 H new ATOM 343 N LEU B 64 -6.454 14.380 -0.087 1.00 0.00 N ATOM 344 CA LEU B 64 -5.735 15.134 -1.101 1.00 0.00 C ATOM 345 C LEU B 64 -5.493 14.255 -2.331 1.00 0.00 C ATOM 346 O LEU B 64 -5.497 13.024 -2.254 1.00 0.00 O ATOM 347 CB LEU B 64 -4.406 15.667 -0.548 1.00 0.00 C ATOM 348 CG LEU B 64 -4.469 16.968 0.265 1.00 0.00 C ATOM 349 CD1 LEU B 64 -5.413 18.010 -0.336 1.00 0.00 C ATOM 350 CD2 LEU B 64 -4.895 16.704 1.702 1.00 0.00 C ATOM 0 H LEU B 64 -6.036 13.472 0.117 1.00 0.00 H new ATOM 0 HA LEU B 64 -6.343 15.990 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.965 14.894 0.081 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.727 15.822 -1.386 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.456 17.369 0.239 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -5.411 18.905 0.287 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -5.079 18.267 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -6.423 17.602 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -4.930 17.646 2.250 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -5.883 16.243 1.710 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.178 16.034 2.177 1.00 0.00 H new ATOM 362 N SER B 65 -5.284 14.935 -3.465 1.00 0.00 N ATOM 363 CA SER B 65 -5.262 14.389 -4.815 1.00 0.00 C ATOM 364 C SER B 65 -4.296 13.226 -5.038 1.00 0.00 C ATOM 365 O SER B 65 -3.526 12.844 -4.159 1.00 0.00 O ATOM 366 CB SER B 65 -4.973 15.525 -5.801 1.00 0.00 C ATOM 367 OG SER B 65 -3.720 16.112 -5.520 1.00 0.00 O ATOM 0 H SER B 65 -5.116 15.941 -3.457 1.00 0.00 H new ATOM 0 HA SER B 65 -6.247 13.954 -4.983 1.00 0.00 H new ATOM 0 HB2 SER B 65 -4.982 15.141 -6.821 1.00 0.00 H new ATOM 0 HB3 SER B 65 -5.758 16.279 -5.738 1.00 0.00 H new ATOM 0 HG SER B 65 -3.547 16.835 -6.158 1.00 0.00 H new ATOM 373 N GLU B 66 -4.352 12.664 -6.249 1.00 0.00 N ATOM 374 CA GLU B 66 -3.605 11.476 -6.630 1.00 0.00 C ATOM 375 C GLU B 66 -2.692 11.719 -7.834 1.00 0.00 C ATOM 376 O GLU B 66 -2.752 12.766 -8.478 1.00 0.00 O ATOM 377 CB GLU B 66 -4.583 10.326 -6.905 1.00 0.00 C ATOM 378 CG GLU B 66 -5.841 10.735 -7.683 1.00 0.00 C ATOM 379 CD GLU B 66 -5.532 11.475 -8.984 1.00 0.00 C ATOM 380 OE1 GLU B 66 -5.027 10.815 -9.919 1.00 0.00 O ATOM 381 OE2 GLU B 66 -5.805 12.695 -9.029 1.00 0.00 O ATOM 0 H GLU B 66 -4.931 13.034 -7.002 1.00 0.00 H new ATOM 0 HA GLU B 66 -2.951 11.209 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -4.062 9.548 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -4.885 9.887 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -6.425 9.843 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -6.461 11.370 -7.050 1.00 0.00 H new ATOM 388 N SER B 67 -1.844 10.727 -8.126 1.00 0.00 N ATOM 389 CA SER B 67 -0.909 10.749 -9.243 1.00 0.00 C ATOM 390 C SER B 67 -0.615 9.323 -9.708 1.00 0.00 C ATOM 391 O SER B 67 -1.038 8.359 -9.070 1.00 0.00 O ATOM 392 CB SER B 67 0.402 11.411 -8.810 1.00 0.00 C ATOM 393 OG SER B 67 0.182 12.735 -8.370 1.00 0.00 O ATOM 0 H SER B 67 -1.792 9.869 -7.576 1.00 0.00 H new ATOM 0 HA SER B 67 -1.355 11.315 -10.061 1.00 0.00 H new ATOM 0 HB2 SER B 67 0.859 10.830 -8.009 1.00 0.00 H new ATOM 0 HB3 SER B 67 1.104 11.413 -9.644 1.00 0.00 H new ATOM 0 HG SER B 67 1.034 13.135 -8.098 1.00 0.00 H new ATOM 399 N GLY B 68 0.113 9.192 -10.822 1.00 0.00 N ATOM 400 CA GLY B 68 0.545 7.909 -11.360 1.00 0.00 C ATOM 401 C GLY B 68 -0.532 7.217 -12.191 1.00 0.00 C ATOM 402 O GLY B 68 -1.661 7.693 -12.299 1.00 0.00 O ATOM 0 H GLY B 68 0.420 9.989 -11.379 1.00 0.00 H new ATOM 0 HA2 GLY B 68 1.431 8.060 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY B 68 0.837 7.256 -10.537 1.00 0.00 H new ATOM 406 N GLU B 69 -0.160 6.075 -12.779 1.00 0.00 N ATOM 407 CA GLU B 69 -1.048 5.244 -13.580 1.00 0.00 C ATOM 408 C GLU B 69 -1.677 4.154 -12.709 1.00 0.00 C ATOM 409 O GLU B 69 -1.345 4.032 -11.534 1.00 0.00 O ATOM 410 CB GLU B 69 -0.260 4.636 -14.742 1.00 0.00 C ATOM 411 CG GLU B 69 0.221 5.740 -15.686 1.00 0.00 C ATOM 412 CD GLU B 69 0.961 5.160 -16.890 1.00 0.00 C ATOM 413 OE1 GLU B 69 0.273 4.617 -17.783 1.00 0.00 O ATOM 414 OE2 GLU B 69 2.207 5.264 -16.908 1.00 0.00 O ATOM 0 H GLU B 69 0.786 5.700 -12.707 1.00 0.00 H new ATOM 0 HA GLU B 69 -1.855 5.853 -13.987 1.00 0.00 H new ATOM 0 HB2 GLU B 69 0.594 4.077 -14.359 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -0.886 3.929 -15.286 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -0.632 6.325 -16.029 1.00 0.00 H new ATOM 0 HG3 GLU B 69 0.879 6.421 -15.146 1.00 0.00 H new ATOM 421 N SER B 70 -2.588 3.358 -13.277 1.00 0.00 N ATOM 422 CA SER B 70 -3.345 2.344 -12.545 1.00 0.00 C ATOM 423 C SER B 70 -2.482 1.232 -11.948 1.00 0.00 C ATOM 424 O SER B 70 -3.011 0.359 -11.262 1.00 0.00 O ATOM 425 CB SER B 70 -4.387 1.730 -13.479 1.00 0.00 C ATOM 426 OG SER B 70 -5.208 2.742 -14.023 1.00 0.00 O ATOM 0 H SER B 70 -2.821 3.402 -14.269 1.00 0.00 H new ATOM 0 HA SER B 70 -3.813 2.853 -11.702 1.00 0.00 H new ATOM 0 HB2 SER B 70 -3.891 1.183 -14.281 1.00 0.00 H new ATOM 0 HB3 SER B 70 -4.997 1.010 -12.933 1.00 0.00 H new ATOM 0 HG SER B 70 -5.871 2.339 -14.621 1.00 0.00 H new ATOM 432 N HIS B 71 -1.168 1.245 -12.193 1.00 0.00 N ATOM 433 CA HIS B 71 -0.247 0.226 -11.702 1.00 0.00 C ATOM 434 C HIS B 71 0.833 0.831 -10.804 1.00 0.00 C ATOM 435 O HIS B 71 1.708 0.116 -10.317 1.00 0.00 O ATOM 436 CB HIS B 71 0.370 -0.500 -12.898 1.00 0.00 C ATOM 437 CG HIS B 71 0.964 0.452 -13.901 1.00 0.00 C ATOM 438 ND1 HIS B 71 2.249 0.924 -13.912 1.00 0.00 N flip ATOM 439 CD2 HIS B 71 0.303 1.009 -14.973 1.00 0.00 C flip ATOM 440 CE1 HIS B 71 2.373 1.794 -15.000 1.00 0.00 C flip ATOM 441 NE2 HIS B 71 1.171 1.820 -15.602 1.00 0.00 N flip ATOM 0 H HIS B 71 -0.713 1.973 -12.744 1.00 0.00 H new ATOM 0 HA HIS B 71 -0.798 -0.488 -11.090 1.00 0.00 H new ATOM 0 HB2 HIS B 71 1.144 -1.182 -12.546 1.00 0.00 H new ATOM 0 HB3 HIS B 71 -0.393 -1.107 -13.385 1.00 0.00 H new ATOM 0 HD2 HIS B 71 -0.723 0.828 -15.256 1.00 0.00 H new ATOM 0 HE1 HIS B 71 3.258 2.337 -15.297 1.00 0.00 H new ATOM 0 HE2 HIS B 71 0.948 2.380 -16.425 1.00 0.00 H new ATOM 449 N ALA B 72 0.773 2.147 -10.581 1.00 0.00 N ATOM 450 CA ALA B 72 1.708 2.875 -9.734 1.00 0.00 C ATOM 451 C ALA B 72 0.971 3.980 -8.971 1.00 0.00 C ATOM 452 O ALA B 72 1.598 4.875 -8.405 1.00 0.00 O ATOM 453 CB ALA B 72 2.818 3.456 -10.611 1.00 0.00 C ATOM 0 H ALA B 72 0.057 2.744 -10.995 1.00 0.00 H new ATOM 0 HA ALA B 72 2.152 2.203 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA B 72 3.525 4.004 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA B 72 3.338 2.647 -11.124 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.384 4.132 -11.347 1.00 0.00 H new ATOM 459 N LYS B 73 -0.364 3.910 -8.965 1.00 0.00 N ATOM 460 CA LYS B 73 -1.235 4.940 -8.423 1.00 0.00 C ATOM 461 C LYS B 73 -0.925 5.236 -6.961 1.00 0.00 C ATOM 462 O LYS B 73 -0.525 4.347 -6.210 1.00 0.00 O ATOM 463 CB LYS B 73 -2.689 4.479 -8.579 1.00 0.00 C ATOM 464 CG LYS B 73 -3.660 5.662 -8.573 1.00 0.00 C ATOM 465 CD LYS B 73 -3.585 6.414 -9.900 1.00 0.00 C ATOM 466 CE LYS B 73 -4.376 7.718 -9.816 1.00 0.00 C ATOM 467 NZ LYS B 73 -4.299 8.462 -11.086 1.00 0.00 N ATOM 0 H LYS B 73 -0.874 3.114 -9.348 1.00 0.00 H new ATOM 0 HA LYS B 73 -1.070 5.866 -8.974 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -2.797 3.924 -9.511 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -2.943 3.795 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -4.677 5.306 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -3.418 6.336 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -2.545 6.627 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -3.982 5.791 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -5.418 7.502 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -3.986 8.333 -9.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -4.402 9.480 -10.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -3.379 8.284 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -5.062 8.148 -11.719 1.00 0.00 H new ATOM 481 N SER B 74 -1.114 6.497 -6.567 1.00 0.00 N ATOM 482 CA SER B 74 -0.952 6.937 -5.192 1.00 0.00 C ATOM 483 C SER B 74 -1.999 7.996 -4.871 1.00 0.00 C ATOM 484 O SER B 74 -2.500 8.670 -5.767 1.00 0.00 O ATOM 485 CB SER B 74 0.450 7.516 -4.988 1.00 0.00 C ATOM 486 OG SER B 74 1.433 6.519 -5.184 1.00 0.00 O ATOM 0 H SER B 74 -1.387 7.244 -7.205 1.00 0.00 H new ATOM 0 HA SER B 74 -1.082 6.084 -4.525 1.00 0.00 H new ATOM 0 HB2 SER B 74 0.615 8.338 -5.684 1.00 0.00 H new ATOM 0 HB3 SER B 74 0.537 7.927 -3.982 1.00 0.00 H new ATOM 0 HG SER B 74 2.323 6.907 -5.051 1.00 0.00 H new ATOM 492 N PHE B 75 -2.323 8.132 -3.584 1.00 0.00 N ATOM 493 CA PHE B 75 -3.309 9.063 -3.060 1.00 0.00 C ATOM 494 C PHE B 75 -2.777 9.624 -1.749 1.00 0.00 C ATOM 495 O PHE B 75 -1.756 9.144 -1.256 1.00 0.00 O ATOM 496 CB PHE B 75 -4.628 8.328 -2.806 1.00 0.00 C ATOM 497 CG PHE B 75 -5.160 7.565 -3.997 1.00 0.00 C ATOM 498 CD1 PHE B 75 -4.613 6.318 -4.326 1.00 0.00 C ATOM 499 CD2 PHE B 75 -6.197 8.100 -4.775 1.00 0.00 C ATOM 500 CE1 PHE B 75 -5.085 5.611 -5.439 1.00 0.00 C ATOM 501 CE2 PHE B 75 -6.671 7.396 -5.890 1.00 0.00 C ATOM 502 CZ PHE B 75 -6.111 6.156 -6.226 1.00 0.00 C ATOM 0 H PHE B 75 -1.885 7.571 -2.853 1.00 0.00 H new ATOM 0 HA PHE B 75 -3.487 9.868 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE B 75 -4.488 7.633 -1.978 1.00 0.00 H new ATOM 0 HB3 PHE B 75 -5.378 9.053 -2.490 1.00 0.00 H new ATOM 0 HD1 PHE B 75 -3.824 5.900 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE B 75 -6.630 9.054 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE B 75 -4.661 4.650 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE B 75 -7.468 7.809 -6.491 1.00 0.00 H new ATOM 0 HZ PHE B 75 -6.470 5.619 -7.092 1.00 0.00 H new ATOM 512 N VAL B 76 -3.438 10.627 -1.166 1.00 0.00 N ATOM 513 CA VAL B 76 -2.983 11.091 0.137 1.00 0.00 C ATOM 514 C VAL B 76 -4.139 11.611 0.980 1.00 0.00 C ATOM 515 O VAL B 76 -5.194 11.974 0.469 1.00 0.00 O ATOM 516 CB VAL B 76 -1.837 12.105 -0.049 1.00 0.00 C ATOM 517 CG1 VAL B 76 -2.064 13.031 -1.241 1.00 0.00 C ATOM 518 CG2 VAL B 76 -1.571 12.958 1.192 1.00 0.00 C ATOM 0 H VAL B 76 -4.248 11.110 -1.554 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.579 10.253 0.705 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.959 11.486 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.228 13.725 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.139 12.439 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.987 13.592 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -0.753 13.649 0.990 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.468 13.523 1.445 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.302 12.311 2.027 1.00 0.00 H new ATOM 528 N MET B 77 -3.917 11.642 2.295 1.00 0.00 N ATOM 529 CA MET B 77 -4.828 12.202 3.273 1.00 0.00 C ATOM 530 C MET B 77 -4.058 13.214 4.107 1.00 0.00 C ATOM 531 O MET B 77 -2.834 13.150 4.211 1.00 0.00 O ATOM 532 CB MET B 77 -5.327 11.106 4.222 1.00 0.00 C ATOM 533 CG MET B 77 -6.305 10.125 3.581 1.00 0.00 C ATOM 534 SD MET B 77 -7.866 10.843 3.014 1.00 0.00 S ATOM 535 CE MET B 77 -8.512 11.490 4.578 1.00 0.00 C ATOM 0 H MET B 77 -3.068 11.263 2.714 1.00 0.00 H new ATOM 0 HA MET B 77 -5.674 12.657 2.758 1.00 0.00 H new ATOM 0 HB2 MET B 77 -4.469 10.551 4.602 1.00 0.00 H new ATOM 0 HB3 MET B 77 -5.809 11.575 5.080 1.00 0.00 H new ATOM 0 HG2 MET B 77 -5.813 9.651 2.732 1.00 0.00 H new ATOM 0 HG3 MET B 77 -6.527 9.337 4.301 1.00 0.00 H new ATOM 0 HE1 MET B 77 -9.586 11.311 4.630 1.00 0.00 H new ATOM 0 HE2 MET B 77 -8.020 10.987 5.411 1.00 0.00 H new ATOM 0 HE3 MET B 77 -8.319 12.561 4.636 1.00 0.00 H new ATOM 545 N SER B 78 -4.792 14.147 4.702 1.00 0.00 N ATOM 546 CA SER B 78 -4.269 15.030 5.721 1.00 0.00 C ATOM 547 C SER B 78 -5.271 15.077 6.867 1.00 0.00 C ATOM 548 O SER B 78 -6.383 14.563 6.744 1.00 0.00 O ATOM 549 CB SER B 78 -3.989 16.419 5.146 1.00 0.00 C ATOM 550 OG SER B 78 -5.194 17.042 4.765 1.00 0.00 O ATOM 0 H SER B 78 -5.775 14.308 4.484 1.00 0.00 H new ATOM 0 HA SER B 78 -3.316 14.656 6.095 1.00 0.00 H new ATOM 0 HB2 SER B 78 -3.474 17.030 5.887 1.00 0.00 H new ATOM 0 HB3 SER B 78 -3.326 16.337 4.285 1.00 0.00 H new ATOM 0 HG SER B 78 -5.719 16.427 4.211 1.00 0.00 H new ATOM 556 N VAL B 79 -4.886 15.688 7.987 1.00 0.00 N ATOM 557 CA VAL B 79 -5.755 15.758 9.150 1.00 0.00 C ATOM 558 C VAL B 79 -5.497 17.065 9.888 1.00 0.00 C ATOM 559 O VAL B 79 -4.445 17.678 9.720 1.00 0.00 O ATOM 560 CB VAL B 79 -5.466 14.587 10.102 1.00 0.00 C ATOM 561 CG1 VAL B 79 -6.670 14.233 10.965 1.00 0.00 C ATOM 562 CG2 VAL B 79 -4.926 13.332 9.424 1.00 0.00 C ATOM 0 H VAL B 79 -3.979 16.139 8.109 1.00 0.00 H new ATOM 0 HA VAL B 79 -6.792 15.706 8.820 1.00 0.00 H new ATOM 0 HB VAL B 79 -4.666 14.963 10.739 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -6.416 13.400 11.620 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -6.952 15.096 11.568 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -7.505 13.949 10.325 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.752 12.560 10.173 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.651 12.972 8.694 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -3.989 13.566 8.919 1.00 0.00 H new ATOM 572 N VAL B 80 -6.462 17.485 10.707 1.00 0.00 N ATOM 573 CA VAL B 80 -6.286 18.593 11.629 1.00 0.00 C ATOM 574 C VAL B 80 -6.845 18.165 12.972 1.00 0.00 C ATOM 575 O VAL B 80 -8.054 18.020 13.146 1.00 0.00 O ATOM 576 CB VAL B 80 -6.930 19.888 11.134 1.00 0.00 C ATOM 577 CG1 VAL B 80 -6.741 20.982 12.188 1.00 0.00 C ATOM 578 CG2 VAL B 80 -6.285 20.350 9.827 1.00 0.00 C ATOM 0 H VAL B 80 -7.389 17.061 10.745 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.224 18.824 11.714 1.00 0.00 H new ATOM 0 HB VAL B 80 -7.990 19.702 10.961 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.199 21.907 11.838 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -7.213 20.674 13.121 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.676 21.145 12.356 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.759 21.273 9.494 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -5.222 20.526 9.988 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.414 19.581 9.066 1.00 0.00 H new ATOM 588 N VAL B 81 -5.939 17.965 13.923 1.00 0.00 N ATOM 589 CA VAL B 81 -6.279 17.508 15.259 1.00 0.00 C ATOM 590 C VAL B 81 -5.516 18.350 16.273 1.00 0.00 C ATOM 591 O VAL B 81 -4.339 18.635 16.076 1.00 0.00 O ATOM 592 CB VAL B 81 -5.941 16.017 15.387 1.00 0.00 C ATOM 593 CG1 VAL B 81 -4.530 15.709 14.886 1.00 0.00 C ATOM 594 CG2 VAL B 81 -6.084 15.554 16.837 1.00 0.00 C ATOM 0 H VAL B 81 -4.940 18.118 13.784 1.00 0.00 H new ATOM 0 HA VAL B 81 -7.346 17.624 15.450 1.00 0.00 H new ATOM 0 HB VAL B 81 -6.650 15.473 14.762 1.00 0.00 H new ATOM 0 HG11 VAL B 81 -4.330 14.643 14.994 1.00 0.00 H new ATOM 0 HG12 VAL B 81 -4.448 15.989 13.836 1.00 0.00 H new ATOM 0 HG13 VAL B 81 -3.805 16.275 15.470 1.00 0.00 H new ATOM 0 HG21 VAL B 81 -5.840 14.494 16.906 1.00 0.00 H new ATOM 0 HG22 VAL B 81 -5.405 16.125 17.470 1.00 0.00 H new ATOM 0 HG23 VAL B 81 -7.110 15.713 17.170 1.00 0.00 H new ATOM 604 N ASP B 82 -6.184 18.748 17.360 1.00 0.00 N ATOM 605 CA ASP B 82 -5.592 19.582 18.402 1.00 0.00 C ATOM 606 C ASP B 82 -5.034 20.903 17.850 1.00 0.00 C ATOM 607 O ASP B 82 -4.307 21.613 18.542 1.00 0.00 O ATOM 608 CB ASP B 82 -4.540 18.755 19.154 1.00 0.00 C ATOM 609 CG ASP B 82 -3.937 19.506 20.339 1.00 0.00 C ATOM 610 OD1 ASP B 82 -4.721 19.914 21.225 1.00 0.00 O ATOM 611 OD2 ASP B 82 -2.695 19.661 20.347 1.00 0.00 O ATOM 0 H ASP B 82 -7.156 18.497 17.540 1.00 0.00 H new ATOM 0 HA ASP B 82 -6.368 19.884 19.105 1.00 0.00 H new ATOM 0 HB2 ASP B 82 -4.996 17.831 19.509 1.00 0.00 H new ATOM 0 HB3 ASP B 82 -3.744 18.474 18.464 1.00 0.00 H new ATOM 616 N GLY B 83 -5.372 21.241 16.601 1.00 0.00 N ATOM 617 CA GLY B 83 -4.889 22.439 15.930 1.00 0.00 C ATOM 618 C GLY B 83 -3.644 22.145 15.101 1.00 0.00 C ATOM 619 O GLY B 83 -3.212 22.984 14.312 1.00 0.00 O ATOM 0 H GLY B 83 -5.998 20.678 16.025 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -5.672 22.838 15.285 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -4.663 23.207 16.670 1.00 0.00 H new ATOM 623 N GLN B 84 -3.068 20.954 15.279 1.00 0.00 N ATOM 624 CA GLN B 84 -1.911 20.512 14.525 1.00 0.00 C ATOM 625 C GLN B 84 -2.367 20.015 13.156 1.00 0.00 C ATOM 626 O GLN B 84 -3.564 19.850 12.921 1.00 0.00 O ATOM 627 CB GLN B 84 -1.209 19.390 15.296 1.00 0.00 C ATOM 628 CG GLN B 84 -0.781 19.871 16.682 1.00 0.00 C ATOM 629 CD GLN B 84 -0.076 18.774 17.470 1.00 0.00 C ATOM 630 OE1 GLN B 84 0.850 18.140 16.975 1.00 0.00 O ATOM 631 NE2 GLN B 84 -0.508 18.539 18.708 1.00 0.00 N ATOM 0 H GLN B 84 -3.400 20.269 15.958 1.00 0.00 H new ATOM 0 HA GLN B 84 -1.212 21.337 14.387 1.00 0.00 H new ATOM 0 HB2 GLN B 84 -1.878 18.535 15.393 1.00 0.00 H new ATOM 0 HB3 GLN B 84 -0.336 19.050 14.738 1.00 0.00 H new ATOM 0 HG2 GLN B 84 -0.117 20.729 16.580 1.00 0.00 H new ATOM 0 HG3 GLN B 84 -1.657 20.210 17.235 1.00 0.00 H new ATOM 0 HE21 GLN B 84 -1.281 19.084 19.091 1.00 0.00 H new ATOM 0 HE22 GLN B 84 -0.066 17.814 19.273 1.00 0.00 H new ATOM 640 N PHE B 85 -1.419 19.770 12.249 1.00 0.00 N ATOM 641 CA PHE B 85 -1.722 19.301 10.905 1.00 0.00 C ATOM 642 C PHE B 85 -0.838 18.107 10.564 1.00 0.00 C ATOM 643 O PHE B 85 0.325 18.057 10.963 1.00 0.00 O ATOM 644 CB PHE B 85 -1.496 20.440 9.911 1.00 0.00 C ATOM 645 CG PHE B 85 -1.615 20.014 8.464 1.00 0.00 C ATOM 646 CD1 PHE B 85 -2.868 19.985 7.834 1.00 0.00 C ATOM 647 CD2 PHE B 85 -0.466 19.648 7.746 1.00 0.00 C ATOM 648 CE1 PHE B 85 -2.973 19.586 6.494 1.00 0.00 C ATOM 649 CE2 PHE B 85 -0.570 19.250 6.407 1.00 0.00 C ATOM 650 CZ PHE B 85 -1.824 19.220 5.781 1.00 0.00 C ATOM 0 H PHE B 85 -0.423 19.892 12.430 1.00 0.00 H new ATOM 0 HA PHE B 85 -2.764 18.985 10.850 1.00 0.00 H new ATOM 0 HB2 PHE B 85 -2.218 21.232 10.108 1.00 0.00 H new ATOM 0 HB3 PHE B 85 -0.505 20.864 10.076 1.00 0.00 H new ATOM 0 HD1 PHE B 85 -3.754 20.271 8.382 1.00 0.00 H new ATOM 0 HD2 PHE B 85 0.501 19.673 8.227 1.00 0.00 H new ATOM 0 HE1 PHE B 85 -3.939 19.561 6.012 1.00 0.00 H new ATOM 0 HE2 PHE B 85 0.315 18.966 5.857 1.00 0.00 H new ATOM 0 HZ PHE B 85 -1.904 18.914 4.748 1.00 0.00 H new ATOM 660 N PHE B 86 -1.395 17.145 9.822 1.00 0.00 N ATOM 661 CA PHE B 86 -0.669 15.947 9.425 1.00 0.00 C ATOM 662 C PHE B 86 -0.950 15.574 7.975 1.00 0.00 C ATOM 663 O PHE B 86 -1.875 16.098 7.359 1.00 0.00 O ATOM 664 CB PHE B 86 -1.046 14.803 10.365 1.00 0.00 C ATOM 665 CG PHE B 86 -0.700 15.119 11.799 1.00 0.00 C ATOM 666 CD1 PHE B 86 -1.597 15.837 12.603 1.00 0.00 C ATOM 667 CD2 PHE B 86 0.530 14.701 12.320 1.00 0.00 C ATOM 668 CE1 PHE B 86 -1.249 16.164 13.920 1.00 0.00 C ATOM 669 CE2 PHE B 86 0.873 15.019 13.638 1.00 0.00 C ATOM 670 CZ PHE B 86 -0.015 15.749 14.440 1.00 0.00 C ATOM 0 H PHE B 86 -2.357 17.179 9.484 1.00 0.00 H new ATOM 0 HA PHE B 86 0.401 16.143 9.499 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -2.115 14.603 10.284 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -0.528 13.894 10.058 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -2.556 16.138 12.207 1.00 0.00 H new ATOM 0 HD2 PHE B 86 1.213 14.134 11.705 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -1.930 16.735 14.534 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.824 14.701 14.039 1.00 0.00 H new ATOM 0 HZ PHE B 86 0.251 15.992 15.458 1.00 0.00 H new ATOM 680 N GLU B 87 -0.141 14.659 7.435 1.00 0.00 N ATOM 681 CA GLU B 87 -0.258 14.179 6.067 1.00 0.00 C ATOM 682 C GLU B 87 0.151 12.706 6.015 1.00 0.00 C ATOM 683 O GLU B 87 0.795 12.207 6.938 1.00 0.00 O ATOM 684 CB GLU B 87 0.629 15.052 5.171 1.00 0.00 C ATOM 685 CG GLU B 87 0.414 14.767 3.684 1.00 0.00 C ATOM 686 CD GLU B 87 1.232 15.729 2.825 1.00 0.00 C ATOM 687 OE1 GLU B 87 2.411 15.402 2.558 1.00 0.00 O ATOM 688 OE2 GLU B 87 0.675 16.783 2.443 1.00 0.00 O ATOM 0 H GLU B 87 0.626 14.227 7.951 1.00 0.00 H new ATOM 0 HA GLU B 87 -1.285 14.250 5.710 1.00 0.00 H new ATOM 0 HB2 GLU B 87 0.420 16.103 5.371 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.676 14.881 5.423 1.00 0.00 H new ATOM 0 HG2 GLU B 87 0.700 13.739 3.461 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -0.644 14.863 3.440 1.00 0.00 H new ATOM 695 N GLY B 88 -0.217 12.005 4.940 1.00 0.00 N ATOM 696 CA GLY B 88 0.105 10.598 4.782 1.00 0.00 C ATOM 697 C GLY B 88 -0.371 10.080 3.431 1.00 0.00 C ATOM 698 O GLY B 88 -1.572 9.927 3.217 1.00 0.00 O ATOM 0 H GLY B 88 -0.744 12.401 4.162 1.00 0.00 H new ATOM 0 HA2 GLY B 88 1.182 10.455 4.872 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -0.361 10.022 5.582 1.00 0.00 H new ATOM 702 N SER B 89 0.564 9.809 2.515 1.00 0.00 N ATOM 703 CA SER B 89 0.222 9.251 1.214 1.00 0.00 C ATOM 704 C SER B 89 0.221 7.724 1.263 1.00 0.00 C ATOM 705 O SER B 89 0.764 7.121 2.187 1.00 0.00 O ATOM 706 CB SER B 89 1.192 9.762 0.145 1.00 0.00 C ATOM 707 OG SER B 89 2.517 9.370 0.436 1.00 0.00 O ATOM 0 H SER B 89 1.562 9.969 2.655 1.00 0.00 H new ATOM 0 HA SER B 89 -0.784 9.579 0.951 1.00 0.00 H new ATOM 0 HB2 SER B 89 0.900 9.375 -0.831 1.00 0.00 H new ATOM 0 HB3 SER B 89 1.135 10.849 0.087 1.00 0.00 H new ATOM 0 HG SER B 89 3.118 9.706 -0.261 1.00 0.00 H new ATOM 713 N GLY B 90 -0.395 7.097 0.256 1.00 0.00 N ATOM 714 CA GLY B 90 -0.476 5.649 0.152 1.00 0.00 C ATOM 715 C GLY B 90 -0.948 5.241 -1.238 1.00 0.00 C ATOM 716 O GLY B 90 -1.370 6.087 -2.022 1.00 0.00 O ATOM 0 H GLY B 90 -0.852 7.589 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY B 90 0.500 5.208 0.355 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -1.163 5.262 0.904 1.00 0.00 H new ATOM 720 N ARG B 91 -0.882 3.944 -1.556 1.00 0.00 N ATOM 721 CA ARG B 91 -1.310 3.446 -2.860 1.00 0.00 C ATOM 722 C ARG B 91 -2.834 3.426 -2.994 1.00 0.00 C ATOM 723 O ARG B 91 -3.349 3.224 -4.091 1.00 0.00 O ATOM 724 CB ARG B 91 -0.731 2.050 -3.089 1.00 0.00 C ATOM 725 CG ARG B 91 -1.390 1.026 -2.163 1.00 0.00 C ATOM 726 CD ARG B 91 -0.653 -0.307 -2.238 1.00 0.00 C ATOM 727 NE ARG B 91 -1.463 -1.375 -1.646 1.00 0.00 N ATOM 728 CZ ARG B 91 -0.980 -2.500 -1.113 1.00 0.00 C ATOM 729 NH1 ARG B 91 0.330 -2.738 -1.082 1.00 0.00 N ATOM 730 NH2 ARG B 91 -1.819 -3.399 -0.605 1.00 0.00 N ATOM 0 H ARG B 91 -0.535 3.222 -0.925 1.00 0.00 H new ATOM 0 HA ARG B 91 -0.933 4.127 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -0.881 1.756 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG B 91 0.345 2.065 -2.914 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -1.383 1.396 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -2.434 0.889 -2.446 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -0.428 -0.547 -3.277 1.00 0.00 H new ATOM 0 HD3 ARG B 91 0.300 -0.232 -1.714 1.00 0.00 H new ATOM 0 HE ARG B 91 -2.475 -1.249 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG B 91 0.982 -2.056 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG B 91 0.682 -3.603 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -2.824 -3.227 -0.624 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -1.457 -4.261 -0.196 1.00 0.00 H new ATOM 744 N ASN B 92 -3.545 3.634 -1.883 1.00 0.00 N ATOM 745 CA ASN B 92 -4.999 3.670 -1.828 1.00 0.00 C ATOM 746 C ASN B 92 -5.449 4.635 -0.731 1.00 0.00 C ATOM 747 O ASN B 92 -4.653 5.020 0.126 1.00 0.00 O ATOM 748 CB ASN B 92 -5.552 2.258 -1.590 1.00 0.00 C ATOM 749 CG ASN B 92 -4.954 1.562 -0.375 1.00 0.00 C ATOM 750 OD1 ASN B 92 -3.740 1.478 -0.224 1.00 0.00 O ATOM 751 ND2 ASN B 92 -5.806 1.054 0.508 1.00 0.00 N ATOM 0 H ASN B 92 -3.108 3.786 -0.974 1.00 0.00 H new ATOM 0 HA ASN B 92 -5.392 4.027 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -6.634 2.317 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -5.364 1.650 -2.475 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -5.456 0.578 1.339 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -6.811 1.140 0.355 1.00 0.00 H new ATOM 758 N LYS B 93 -6.727 5.027 -0.756 1.00 0.00 N ATOM 759 CA LYS B 93 -7.273 6.011 0.174 1.00 0.00 C ATOM 760 C LYS B 93 -7.247 5.522 1.624 1.00 0.00 C ATOM 761 O LYS B 93 -7.006 6.311 2.535 1.00 0.00 O ATOM 762 CB LYS B 93 -8.712 6.344 -0.237 1.00 0.00 C ATOM 763 CG LYS B 93 -8.753 6.945 -1.644 1.00 0.00 C ATOM 764 CD LYS B 93 -10.188 7.305 -2.024 1.00 0.00 C ATOM 765 CE LYS B 93 -10.205 7.917 -3.426 1.00 0.00 C ATOM 766 NZ LYS B 93 -11.571 8.305 -3.829 1.00 0.00 N ATOM 0 H LYS B 93 -7.410 4.668 -1.424 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.645 6.901 0.125 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -9.322 5.441 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.145 7.046 0.476 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -8.124 7.834 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -8.347 6.234 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.817 6.415 -1.996 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.601 8.010 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -9.555 8.792 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -9.803 7.200 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.548 8.716 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -12.185 7.465 -3.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.944 9.007 -3.159 1.00 0.00 H new ATOM 780 N LYS B 94 -7.491 4.225 1.841 1.00 0.00 N ATOM 781 CA LYS B 94 -7.516 3.630 3.174 1.00 0.00 C ATOM 782 C LYS B 94 -6.134 3.674 3.812 1.00 0.00 C ATOM 783 O LYS B 94 -5.994 4.047 4.975 1.00 0.00 O ATOM 784 CB LYS B 94 -7.985 2.179 3.039 1.00 0.00 C ATOM 785 CG LYS B 94 -8.285 1.523 4.386 1.00 0.00 C ATOM 786 CD LYS B 94 -8.713 0.074 4.138 1.00 0.00 C ATOM 787 CE LYS B 94 -9.011 -0.635 5.458 1.00 0.00 C ATOM 788 NZ LYS B 94 -9.375 -2.047 5.236 1.00 0.00 N ATOM 0 H LYS B 94 -7.677 3.559 1.091 1.00 0.00 H new ATOM 0 HA LYS B 94 -8.196 4.192 3.814 1.00 0.00 H new ATOM 0 HB2 LYS B 94 -8.880 2.148 2.418 1.00 0.00 H new ATOM 0 HB3 LYS B 94 -7.219 1.601 2.522 1.00 0.00 H new ATOM 0 HG2 LYS B 94 -7.403 1.553 5.026 1.00 0.00 H new ATOM 0 HG3 LYS B 94 -9.074 2.067 4.905 1.00 0.00 H new ATOM 0 HD2 LYS B 94 -9.598 0.055 3.501 1.00 0.00 H new ATOM 0 HD3 LYS B 94 -7.925 -0.457 3.604 1.00 0.00 H new ATOM 0 HE2 LYS B 94 -8.138 -0.580 6.108 1.00 0.00 H new ATOM 0 HE3 LYS B 94 -9.825 -0.124 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 94 -9.572 -2.503 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 94 -10.222 -2.097 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 94 -8.588 -2.539 4.766 1.00 0.00 H new ATOM 802 N LEU B 95 -5.112 3.290 3.044 1.00 0.00 N ATOM 803 CA LEU B 95 -3.744 3.224 3.531 1.00 0.00 C ATOM 804 C LEU B 95 -3.235 4.632 3.830 1.00 0.00 C ATOM 805 O LEU B 95 -2.537 4.848 4.820 1.00 0.00 O ATOM 806 CB LEU B 95 -2.904 2.507 2.467 1.00 0.00 C ATOM 807 CG LEU B 95 -1.504 2.051 2.894 1.00 0.00 C ATOM 808 CD1 LEU B 95 -0.467 3.171 2.840 1.00 0.00 C ATOM 809 CD2 LEU B 95 -1.521 1.420 4.282 1.00 0.00 C ATOM 0 H LEU B 95 -5.216 3.017 2.067 1.00 0.00 H new ATOM 0 HA LEU B 95 -3.677 2.664 4.464 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -3.459 1.633 2.127 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -2.800 3.172 1.610 1.00 0.00 H new ATOM 0 HG LEU B 95 -1.204 1.298 2.166 1.00 0.00 H new ATOM 0 HD11 LEU B 95 0.503 2.784 3.154 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -0.394 3.550 1.821 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -0.769 3.979 3.507 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -0.512 1.108 4.552 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -1.883 2.148 5.008 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -2.180 0.552 4.279 1.00 0.00 H new ATOM 821 N ALA B 96 -3.588 5.592 2.971 1.00 0.00 N ATOM 822 CA ALA B 96 -3.215 6.985 3.147 1.00 0.00 C ATOM 823 C ALA B 96 -3.716 7.523 4.489 1.00 0.00 C ATOM 824 O ALA B 96 -2.963 8.178 5.210 1.00 0.00 O ATOM 825 CB ALA B 96 -3.777 7.795 1.979 1.00 0.00 C ATOM 0 H ALA B 96 -4.143 5.417 2.133 1.00 0.00 H new ATOM 0 HA ALA B 96 -2.129 7.073 3.156 1.00 0.00 H new ATOM 0 HB1 ALA B 96 -3.504 8.843 2.099 1.00 0.00 H new ATOM 0 HB2 ALA B 96 -3.365 7.417 1.043 1.00 0.00 H new ATOM 0 HB3 ALA B 96 -4.863 7.702 1.961 1.00 0.00 H new ATOM 831 N LYS B 97 -4.981 7.255 4.840 1.00 0.00 N ATOM 832 CA LYS B 97 -5.519 7.701 6.120 1.00 0.00 C ATOM 833 C LYS B 97 -4.813 6.994 7.269 1.00 0.00 C ATOM 834 O LYS B 97 -4.544 7.620 8.287 1.00 0.00 O ATOM 835 CB LYS B 97 -7.023 7.437 6.193 1.00 0.00 C ATOM 836 CG LYS B 97 -7.645 8.283 7.306 1.00 0.00 C ATOM 837 CD LYS B 97 -8.954 7.647 7.775 1.00 0.00 C ATOM 838 CE LYS B 97 -9.528 8.385 8.983 1.00 0.00 C ATOM 839 NZ LYS B 97 -10.103 9.686 8.596 1.00 0.00 N ATOM 0 H LYS B 97 -5.640 6.737 4.259 1.00 0.00 H new ATOM 0 HA LYS B 97 -5.347 8.774 6.206 1.00 0.00 H new ATOM 0 HB2 LYS B 97 -7.490 7.676 5.238 1.00 0.00 H new ATOM 0 HB3 LYS B 97 -7.207 6.379 6.382 1.00 0.00 H new ATOM 0 HG2 LYS B 97 -6.951 8.366 8.142 1.00 0.00 H new ATOM 0 HG3 LYS B 97 -7.831 9.294 6.945 1.00 0.00 H new ATOM 0 HD2 LYS B 97 -9.679 7.659 6.961 1.00 0.00 H new ATOM 0 HD3 LYS B 97 -8.781 6.602 8.033 1.00 0.00 H new ATOM 0 HE2 LYS B 97 -10.296 7.772 9.454 1.00 0.00 H new ATOM 0 HE3 LYS B 97 -8.743 8.538 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 -11.019 9.816 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 -9.455 10.449 8.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 -10.242 9.712 7.566 1.00 0.00 H new ATOM 853 N ALA B 98 -4.508 5.702 7.124 1.00 0.00 N ATOM 854 CA ALA B 98 -3.863 4.959 8.194 1.00 0.00 C ATOM 855 C ALA B 98 -2.482 5.539 8.499 1.00 0.00 C ATOM 856 O ALA B 98 -2.019 5.467 9.634 1.00 0.00 O ATOM 857 CB ALA B 98 -3.758 3.487 7.792 1.00 0.00 C ATOM 0 H ALA B 98 -4.698 5.158 6.282 1.00 0.00 H new ATOM 0 HA ALA B 98 -4.462 5.040 9.101 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -3.275 2.925 8.591 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -4.756 3.085 7.618 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -3.168 3.400 6.880 1.00 0.00 H new ATOM 863 N ARG B 99 -1.825 6.115 7.488 1.00 0.00 N ATOM 864 CA ARG B 99 -0.516 6.730 7.643 1.00 0.00 C ATOM 865 C ARG B 99 -0.629 8.077 8.352 1.00 0.00 C ATOM 866 O ARG B 99 0.058 8.319 9.343 1.00 0.00 O ATOM 867 CB ARG B 99 0.106 6.882 6.257 1.00 0.00 C ATOM 868 CG ARG B 99 1.568 7.314 6.357 1.00 0.00 C ATOM 869 CD ARG B 99 2.149 7.329 4.947 1.00 0.00 C ATOM 870 NE ARG B 99 3.561 7.716 4.941 1.00 0.00 N ATOM 871 CZ ARG B 99 4.290 7.820 3.826 1.00 0.00 C ATOM 872 NH1 ARG B 99 3.744 7.567 2.637 1.00 0.00 N ATOM 873 NH2 ARG B 99 5.570 8.178 3.895 1.00 0.00 N ATOM 0 H ARG B 99 -2.193 6.165 6.538 1.00 0.00 H new ATOM 0 HA ARG B 99 0.122 6.100 8.262 1.00 0.00 H new ATOM 0 HB2 ARG B 99 0.039 5.937 5.719 1.00 0.00 H new ATOM 0 HB3 ARG B 99 -0.456 7.618 5.681 1.00 0.00 H new ATOM 0 HG2 ARG B 99 1.644 8.302 6.812 1.00 0.00 H new ATOM 0 HG3 ARG B 99 2.126 6.627 6.993 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.042 6.341 4.500 1.00 0.00 H new ATOM 0 HD3 ARG B 99 1.580 8.022 4.328 1.00 0.00 H new ATOM 0 HE ARG B 99 4.011 7.917 5.834 1.00 0.00 H new ATOM 0 HH11 ARG B 99 2.764 7.292 2.574 1.00 0.00 H new ATOM 0 HH12 ARG B 99 4.306 7.648 1.790 1.00 0.00 H new ATOM 0 HH21 ARG B 99 5.997 8.374 4.801 1.00 0.00 H new ATOM 0 HH22 ARG B 99 6.124 8.257 3.042 1.00 0.00 H new ATOM 887 N ALA B 100 -1.497 8.957 7.848 1.00 0.00 N ATOM 888 CA ALA B 100 -1.716 10.271 8.435 1.00 0.00 C ATOM 889 C ALA B 100 -2.315 10.156 9.838 1.00 0.00 C ATOM 890 O ALA B 100 -2.013 10.966 10.711 1.00 0.00 O ATOM 891 CB ALA B 100 -2.653 11.062 7.523 1.00 0.00 C ATOM 0 H ALA B 100 -2.066 8.774 7.021 1.00 0.00 H new ATOM 0 HA ALA B 100 -0.760 10.786 8.528 1.00 0.00 H new ATOM 0 HB1 ALA B 100 -2.827 12.050 7.949 1.00 0.00 H new ATOM 0 HB2 ALA B 100 -2.199 11.167 6.538 1.00 0.00 H new ATOM 0 HB3 ALA B 100 -3.602 10.534 7.431 1.00 0.00 H new ATOM 897 N ALA B 101 -3.165 9.149 10.055 1.00 0.00 N ATOM 898 CA ALA B 101 -3.799 8.906 11.339 1.00 0.00 C ATOM 899 C ALA B 101 -2.788 8.365 12.347 1.00 0.00 C ATOM 900 O ALA B 101 -2.852 8.703 13.526 1.00 0.00 O ATOM 901 CB ALA B 101 -4.944 7.915 11.132 1.00 0.00 C ATOM 0 H ALA B 101 -3.430 8.478 9.334 1.00 0.00 H new ATOM 0 HA ALA B 101 -4.190 9.841 11.741 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -5.433 7.720 12.086 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -5.667 8.335 10.433 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -4.550 6.982 10.729 1.00 0.00 H new ATOM 907 N GLN B 102 -1.853 7.526 11.893 1.00 0.00 N ATOM 908 CA GLN B 102 -0.784 7.027 12.745 1.00 0.00 C ATOM 909 C GLN B 102 0.137 8.177 13.149 1.00 0.00 C ATOM 910 O GLN B 102 0.611 8.209 14.282 1.00 0.00 O ATOM 911 CB GLN B 102 -0.040 5.914 11.998 1.00 0.00 C ATOM 912 CG GLN B 102 1.298 5.526 12.636 1.00 0.00 C ATOM 913 CD GLN B 102 2.422 6.493 12.276 1.00 0.00 C ATOM 914 OE1 GLN B 102 2.625 6.818 11.110 1.00 0.00 O ATOM 915 NE2 GLN B 102 3.167 6.963 13.275 1.00 0.00 N ATOM 0 H GLN B 102 -1.820 7.180 10.934 1.00 0.00 H new ATOM 0 HA GLN B 102 -1.187 6.606 13.666 1.00 0.00 H new ATOM 0 HB2 GLN B 102 -0.678 5.032 11.951 1.00 0.00 H new ATOM 0 HB3 GLN B 102 0.137 6.234 10.971 1.00 0.00 H new ATOM 0 HG2 GLN B 102 1.184 5.494 13.720 1.00 0.00 H new ATOM 0 HG3 GLN B 102 1.572 4.521 12.315 1.00 0.00 H new ATOM 0 HE21 GLN B 102 2.974 6.675 14.234 1.00 0.00 H new ATOM 0 HE22 GLN B 102 3.930 7.611 13.081 1.00 0.00 H new ATOM 924 N SER B 103 0.394 9.119 12.234 1.00 0.00 N ATOM 925 CA SER B 103 1.210 10.284 12.552 1.00 0.00 C ATOM 926 C SER B 103 0.480 11.174 13.551 1.00 0.00 C ATOM 927 O SER B 103 1.076 11.644 14.520 1.00 0.00 O ATOM 928 CB SER B 103 1.515 11.074 11.279 1.00 0.00 C ATOM 929 OG SER B 103 2.262 10.279 10.382 1.00 0.00 O ATOM 0 H SER B 103 0.049 9.093 11.275 1.00 0.00 H new ATOM 0 HA SER B 103 2.148 9.947 12.994 1.00 0.00 H new ATOM 0 HB2 SER B 103 0.585 11.392 10.808 1.00 0.00 H new ATOM 0 HB3 SER B 103 2.072 11.977 11.527 1.00 0.00 H new ATOM 0 HG SER B 103 1.677 9.605 9.977 1.00 0.00 H new ATOM 935 N ALA B 104 -0.815 11.403 13.314 1.00 0.00 N ATOM 936 CA ALA B 104 -1.648 12.207 14.191 1.00 0.00 C ATOM 937 C ALA B 104 -1.657 11.617 15.600 1.00 0.00 C ATOM 938 O ALA B 104 -1.517 12.345 16.579 1.00 0.00 O ATOM 939 CB ALA B 104 -3.060 12.260 13.607 1.00 0.00 C ATOM 0 H ALA B 104 -1.310 11.031 12.503 1.00 0.00 H new ATOM 0 HA ALA B 104 -1.250 13.219 14.262 1.00 0.00 H new ATOM 0 HB1 ALA B 104 -3.699 12.861 14.254 1.00 0.00 H new ATOM 0 HB2 ALA B 104 -3.026 12.708 12.614 1.00 0.00 H new ATOM 0 HB3 ALA B 104 -3.463 11.250 13.536 1.00 0.00 H new ATOM 945 N LEU B 105 -1.817 10.293 15.699 1.00 0.00 N ATOM 946 CA LEU B 105 -1.813 9.575 16.962 1.00 0.00 C ATOM 947 C LEU B 105 -0.464 9.754 17.655 1.00 0.00 C ATOM 948 O LEU B 105 -0.402 10.343 18.731 1.00 0.00 O ATOM 949 CB LEU B 105 -2.125 8.102 16.666 1.00 0.00 C ATOM 950 CG LEU B 105 -2.431 7.265 17.912 1.00 0.00 C ATOM 951 CD1 LEU B 105 -3.012 5.926 17.465 1.00 0.00 C ATOM 952 CD2 LEU B 105 -1.189 6.972 18.752 1.00 0.00 C ATOM 0 H LEU B 105 -1.954 9.689 14.889 1.00 0.00 H new ATOM 0 HA LEU B 105 -2.570 9.965 17.642 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -2.978 8.051 15.989 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -1.277 7.660 16.144 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.126 7.840 18.524 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -3.236 5.316 18.340 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.927 6.097 16.898 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -2.288 5.407 16.837 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.469 6.376 19.621 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -0.466 6.420 18.152 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -0.745 7.910 19.084 1.00 0.00 H new ATOM 964 N ALA B 106 0.614 9.253 17.046 1.00 0.00 N ATOM 965 CA ALA B 106 1.940 9.271 17.646 1.00 0.00 C ATOM 966 C ALA B 106 2.436 10.676 18.006 1.00 0.00 C ATOM 967 O ALA B 106 3.412 10.807 18.743 1.00 0.00 O ATOM 968 CB ALA B 106 2.917 8.587 16.690 1.00 0.00 C ATOM 0 H ALA B 106 0.586 8.824 16.121 1.00 0.00 H new ATOM 0 HA ALA B 106 1.879 8.733 18.592 1.00 0.00 H new ATOM 0 HB1 ALA B 106 3.916 8.592 17.126 1.00 0.00 H new ATOM 0 HB2 ALA B 106 2.600 7.558 16.521 1.00 0.00 H new ATOM 0 HB3 ALA B 106 2.932 9.122 15.741 1.00 0.00 H new ATOM 974 N THR B 107 1.789 11.733 17.504 1.00 0.00 N ATOM 975 CA THR B 107 2.174 13.091 17.866 1.00 0.00 C ATOM 976 C THR B 107 1.257 13.649 18.948 1.00 0.00 C ATOM 977 O THR B 107 1.729 14.044 20.013 1.00 0.00 O ATOM 978 CB THR B 107 2.166 13.990 16.632 1.00 0.00 C ATOM 979 OG1 THR B 107 3.043 13.454 15.666 1.00 0.00 O ATOM 980 CG2 THR B 107 2.645 15.390 17.006 1.00 0.00 C ATOM 0 H THR B 107 1.006 11.671 16.854 1.00 0.00 H new ATOM 0 HA THR B 107 3.186 13.064 18.269 1.00 0.00 H new ATOM 0 HB THR B 107 1.152 14.046 16.235 1.00 0.00 H new ATOM 0 HG1 THR B 107 2.570 12.782 15.132 1.00 0.00 H new ATOM 0 HG21 THR B 107 2.637 16.026 16.121 1.00 0.00 H new ATOM 0 HG22 THR B 107 1.982 15.811 17.762 1.00 0.00 H new ATOM 0 HG23 THR B 107 3.659 15.334 17.403 1.00 0.00 H new ATOM 988 N VAL B 108 -0.052 13.688 18.685 1.00 0.00 N ATOM 989 CA VAL B 108 -1.018 14.289 19.596 1.00 0.00 C ATOM 990 C VAL B 108 -1.150 13.480 20.884 1.00 0.00 C ATOM 991 O VAL B 108 -1.508 14.035 21.922 1.00 0.00 O ATOM 992 CB VAL B 108 -2.369 14.400 18.879 1.00 0.00 C ATOM 993 CG1 VAL B 108 -3.439 15.035 19.764 1.00 0.00 C ATOM 994 CG2 VAL B 108 -2.220 15.281 17.642 1.00 0.00 C ATOM 0 H VAL B 108 -0.467 13.304 17.836 1.00 0.00 H new ATOM 0 HA VAL B 108 -0.670 15.282 19.880 1.00 0.00 H new ATOM 0 HB VAL B 108 -2.675 13.387 18.619 1.00 0.00 H new ATOM 0 HG11 VAL B 108 -4.378 15.093 19.214 1.00 0.00 H new ATOM 0 HG12 VAL B 108 -3.579 14.428 20.658 1.00 0.00 H new ATOM 0 HG13 VAL B 108 -3.125 16.038 20.052 1.00 0.00 H new ATOM 0 HG21 VAL B 108 -3.181 15.359 17.133 1.00 0.00 H new ATOM 0 HG22 VAL B 108 -1.886 16.274 17.941 1.00 0.00 H new ATOM 0 HG23 VAL B 108 -1.487 14.839 16.967 1.00 0.00 H new ATOM 1004 N PHE B 109 -0.868 12.174 20.834 1.00 0.00 N ATOM 1005 CA PHE B 109 -0.973 11.313 22.006 1.00 0.00 C ATOM 1006 C PHE B 109 0.371 11.198 22.722 1.00 0.00 C ATOM 1007 O PHE B 109 0.438 10.582 23.784 1.00 0.00 O ATOM 1008 CB PHE B 109 -1.439 9.912 21.605 1.00 0.00 C ATOM 1009 CG PHE B 109 -2.852 9.774 21.067 1.00 0.00 C ATOM 1010 CD1 PHE B 109 -3.599 10.880 20.630 1.00 0.00 C ATOM 1011 CD2 PHE B 109 -3.425 8.496 21.010 1.00 0.00 C ATOM 1012 CE1 PHE B 109 -4.916 10.712 20.182 1.00 0.00 C ATOM 1013 CE2 PHE B 109 -4.734 8.325 20.545 1.00 0.00 C ATOM 1014 CZ PHE B 109 -5.488 9.434 20.149 1.00 0.00 C ATOM 0 H PHE B 109 -0.564 11.693 19.988 1.00 0.00 H new ATOM 0 HA PHE B 109 -1.702 11.764 22.679 1.00 0.00 H new ATOM 0 HB2 PHE B 109 -0.752 9.532 20.849 1.00 0.00 H new ATOM 0 HB3 PHE B 109 -1.345 9.263 22.476 1.00 0.00 H new ATOM 0 HD1 PHE B 109 -3.156 11.865 20.639 1.00 0.00 H new ATOM 0 HD2 PHE B 109 -2.852 7.637 21.327 1.00 0.00 H new ATOM 0 HE1 PHE B 109 -5.490 11.569 19.862 1.00 0.00 H new ATOM 0 HE2 PHE B 109 -5.162 7.335 20.492 1.00 0.00 H new ATOM 0 HZ PHE B 109 -6.508 9.305 19.819 1.00 0.00 H new ATOM 1024 N ASN B 110 1.436 11.780 22.158 1.00 0.00 N ATOM 1025 CA ASN B 110 2.783 11.713 22.713 1.00 0.00 C ATOM 1026 C ASN B 110 3.293 10.273 22.847 1.00 0.00 C ATOM 1027 O ASN B 110 4.205 10.010 23.630 1.00 0.00 O ATOM 1028 CB ASN B 110 2.836 12.473 24.041 1.00 0.00 C ATOM 1029 CG ASN B 110 2.497 13.950 23.878 1.00 0.00 C ATOM 1030 OD1 ASN B 110 1.241 14.259 23.573 1.00 0.00 O flip ATOM 1031 ND2 ASN B 110 3.360 14.810 24.025 1.00 0.00 N flip ATOM 0 H ASN B 110 1.380 12.316 21.292 1.00 0.00 H new ATOM 0 HA ASN B 110 3.462 12.197 22.012 1.00 0.00 H new ATOM 0 HB2 ASN B 110 2.139 12.018 24.745 1.00 0.00 H new ATOM 0 HB3 ASN B 110 3.832 12.377 24.472 1.00 0.00 H new ATOM 0 HD21 ASN B 110 4.315 14.539 24.259 1.00 0.00 H new ATOM 0 HD22 ASN B 110 3.122 15.796 23.913 1.00 0.00 H new ATOM 1038 N LEU B 111 2.708 9.341 22.088 1.00 0.00 N ATOM 1039 CA LEU B 111 3.045 7.923 22.137 1.00 0.00 C ATOM 1040 C LEU B 111 3.520 7.432 20.769 1.00 0.00 C ATOM 1041 O LEU B 111 3.795 8.234 19.880 1.00 0.00 O ATOM 1042 CB LEU B 111 1.836 7.136 22.658 1.00 0.00 C ATOM 1043 CG LEU B 111 1.566 7.440 24.136 1.00 0.00 C ATOM 1044 CD1 LEU B 111 0.205 6.867 24.524 1.00 0.00 C ATOM 1045 CD2 LEU B 111 2.632 6.804 25.026 1.00 0.00 C ATOM 0 H LEU B 111 1.975 9.559 21.413 1.00 0.00 H new ATOM 0 HA LEU B 111 3.874 7.761 22.826 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.955 7.386 22.067 1.00 0.00 H new ATOM 0 HB3 LEU B 111 2.013 6.068 22.531 1.00 0.00 H new ATOM 0 HG LEU B 111 1.585 8.521 24.275 1.00 0.00 H new ATOM 0 HD11 LEU B 111 0.007 7.080 25.574 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -0.571 7.323 23.909 1.00 0.00 H new ATOM 0 HD13 LEU B 111 0.206 5.788 24.366 1.00 0.00 H new ATOM 0 HD21 LEU B 111 2.419 7.034 26.070 1.00 0.00 H new ATOM 0 HD22 LEU B 111 2.627 5.723 24.884 1.00 0.00 H new ATOM 0 HD23 LEU B 111 3.612 7.200 24.760 1.00 0.00 H new ATOM 1057 N HIS B 112 3.619 6.111 20.596 1.00 0.00 N ATOM 1058 CA HIS B 112 4.080 5.508 19.354 1.00 0.00 C ATOM 1059 C HIS B 112 3.136 4.379 18.933 1.00 0.00 C ATOM 1060 O HIS B 112 2.153 4.105 19.622 1.00 0.00 O ATOM 1061 CB HIS B 112 5.520 5.029 19.545 1.00 0.00 C ATOM 1062 CG HIS B 112 6.183 4.585 18.268 1.00 0.00 C ATOM 1063 ND1 HIS B 112 6.569 3.299 17.956 1.00 0.00 N ATOM 1064 CD2 HIS B 112 6.512 5.388 17.209 1.00 0.00 C ATOM 1065 CE1 HIS B 112 7.118 3.333 16.729 1.00 0.00 C ATOM 1066 NE2 HIS B 112 7.105 4.582 16.232 1.00 0.00 N ATOM 0 H HIS B 112 3.380 5.432 21.319 1.00 0.00 H new ATOM 0 HA HIS B 112 4.071 6.239 18.546 1.00 0.00 H new ATOM 0 HB2 HIS B 112 6.106 5.834 19.988 1.00 0.00 H new ATOM 0 HB3 HIS B 112 5.528 4.202 20.255 1.00 0.00 H new ATOM 0 HD2 HIS B 112 6.344 6.453 17.140 1.00 0.00 H new ATOM 0 HE1 HIS B 112 7.516 2.472 16.212 1.00 0.00 H new ATOM 0 HE2 HIS B 112 7.458 4.882 15.323 1.00 0.00 H new ATOM 1074 N LEU B 113 3.429 3.722 17.804 1.00 0.00 N ATOM 1075 CA LEU B 113 2.594 2.662 17.258 1.00 0.00 C ATOM 1076 C LEU B 113 3.445 1.443 16.900 1.00 0.00 C ATOM 1077 O LEU B 113 3.225 0.388 17.534 1.00 0.00 O ATOM 1078 CB LEU B 113 1.832 3.200 16.041 1.00 0.00 C ATOM 1079 CG LEU B 113 0.774 2.207 15.557 1.00 0.00 C ATOM 1080 CD1 LEU B 113 -0.394 2.160 16.542 1.00 0.00 C ATOM 1081 CD2 LEU B 113 0.240 2.645 14.197 1.00 0.00 C ATOM 1082 OXT LEU B 113 4.301 1.575 15.998 1.00 0.00 O ATOM 0 H LEU B 113 4.259 3.918 17.245 1.00 0.00 H new ATOM 0 HA LEU B 113 1.869 2.339 18.005 1.00 0.00 H new ATOM 0 HB2 LEU B 113 1.354 4.145 16.299 1.00 0.00 H new ATOM 0 HB3 LEU B 113 2.534 3.407 15.233 1.00 0.00 H new ATOM 0 HG LEU B 113 1.234 1.222 15.482 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -1.141 1.450 16.187 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -0.032 1.847 17.521 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -0.843 3.150 16.621 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.513 1.935 13.856 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.207 3.635 14.284 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.059 2.678 13.478 1.00 0.00 H new