USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 34 TYR OH : rot -29:sc= 1.12 USER MOD Set 1.2: B 78 ASN : amide:sc= -0.0808 K(o=1,f=-3.9!) USER MOD Single : A 5 SER OG : rot -24:sc= 0.215 USER MOD Single : A 7 GLN : amide:sc= -0.635 X(o=-0.63,f=-0.46) USER MOD Single : A 20 TYR OH : rot -88:sc= 0.46 USER MOD Single : B 37 LYS NZ :NH3+ -128:sc= 0.762 (180deg=-0.432) USER MOD Single : B 38 MET CE :methyl -137:sc= 0 (180deg=-0.393) USER MOD Single : B 39 LYS NZ :NH3+ 172:sc= -0.0138 (180deg=-0.132) USER MOD Single : B 42 LYS NZ :NH3+ -164:sc= -0.0617 (180deg=-0.344) USER MOD Single : B 46 TYR OH : rot -158:sc= 0.00339 USER MOD Single : B 47 LYS NZ :NH3+ -170:sc= 2.2 (180deg=2.06) USER MOD Single : B 54 ASN : amide:sc= -2.86! K(o=-2.9!,f=-0.14) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 180:sc= -0.277 USER MOD Single : B 68 TYR OH : rot 143:sc= -0.362 USER MOD Single : B 69 ASN : amide:sc= -2.55! K(o=-2.6!,f=-0.32) USER MOD Single : B 73 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.3) USER MOD Single : B 76 TYR OH : rot 73:sc= 0.433 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= -0.395 USER MOD Single : B 92 ASN : amide:sc= -3.4! C(o=-3.4!,f=-1.9!) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= -0.0504 K(o=-0.05,f=-2.8!) USER MOD Single : B 103 LYS NZ :NH3+ 177:sc= 0.226 (180deg=0.124) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 TYR OH : rot -160:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.607 14.328 -7.146 1.00 0.00 N ATOM 60 CA SER A 5 7.600 13.301 -6.936 1.00 0.00 C ATOM 61 C SER A 5 7.558 12.338 -8.118 1.00 0.00 C ATOM 62 O SER A 5 7.700 12.746 -9.272 1.00 0.00 O ATOM 63 CB SER A 5 6.231 13.951 -6.728 1.00 0.00 C ATOM 64 OG SER A 5 5.957 14.899 -7.749 1.00 0.00 O ATOM 0 HA SER A 5 7.862 12.732 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.457 13.183 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.201 14.441 -5.755 1.00 0.00 H new ATOM 0 HG SER A 5 6.800 15.225 -8.127 1.00 0.00 H new ATOM 70 N VAL A 6 7.373 11.063 -7.817 1.00 0.00 N ATOM 71 CA VAL A 6 7.295 10.026 -8.834 1.00 0.00 C ATOM 72 C VAL A 6 6.119 9.115 -8.534 1.00 0.00 C ATOM 73 O VAL A 6 5.588 9.132 -7.427 1.00 0.00 O ATOM 74 CB VAL A 6 8.588 9.180 -8.880 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.780 10.024 -9.301 1.00 0.00 C ATOM 76 CG2 VAL A 6 8.849 8.528 -7.530 1.00 0.00 C ATOM 0 H VAL A 6 7.273 10.718 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 6 7.167 10.511 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 6 8.449 8.396 -9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.675 9.403 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.600 10.439 -10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.921 10.836 -8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.763 7.937 -7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.959 9.300 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.012 7.880 -7.271 1.00 0.00 H new ATOM 86 N GLN A 7 5.704 8.322 -9.503 1.00 0.00 N ATOM 87 CA GLN A 7 4.635 7.384 -9.272 1.00 0.00 C ATOM 88 C GLN A 7 5.190 5.981 -9.279 1.00 0.00 C ATOM 89 O GLN A 7 6.236 5.717 -9.873 1.00 0.00 O ATOM 90 CB GLN A 7 3.499 7.564 -10.281 1.00 0.00 C ATOM 91 CG GLN A 7 3.904 7.413 -11.730 1.00 0.00 C ATOM 92 CD GLN A 7 3.843 5.987 -12.237 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.794 5.516 -12.681 1.00 0.00 O ATOM 94 NE2 GLN A 7 4.972 5.308 -12.208 1.00 0.00 N ATOM 0 H GLN A 7 6.090 8.312 -10.447 1.00 0.00 H new ATOM 0 HA GLN A 7 4.198 7.576 -8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.718 6.837 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.063 8.553 -10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.255 8.036 -12.346 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.919 7.790 -11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.816 5.738 -11.831 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.001 4.352 -12.562 1.00 0.00 H new ATOM 103 N ILE A 8 4.515 5.101 -8.587 1.00 0.00 N ATOM 104 CA ILE A 8 4.999 3.744 -8.420 1.00 0.00 C ATOM 105 C ILE A 8 4.011 2.750 -9.018 1.00 0.00 C ATOM 106 O ILE A 8 2.815 2.803 -8.724 1.00 0.00 O ATOM 107 CB ILE A 8 5.222 3.393 -6.932 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.747 4.599 -6.141 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.196 2.229 -6.816 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.100 5.103 -6.596 1.00 0.00 C ATOM 0 H ILE A 8 3.626 5.294 -8.127 1.00 0.00 H new ATOM 0 HA ILE A 8 5.955 3.680 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 8 4.260 3.108 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.025 5.412 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.809 4.328 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.349 1.986 -5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.788 1.361 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.149 2.506 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.395 5.956 -5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.838 4.308 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.042 5.409 -7.641 1.00 0.00 H new ATOM 122 N PRO A 9 4.490 1.848 -9.883 1.00 0.00 N ATOM 123 CA PRO A 9 3.650 0.814 -10.483 1.00 0.00 C ATOM 124 C PRO A 9 3.265 -0.263 -9.475 1.00 0.00 C ATOM 125 O PRO A 9 4.103 -0.738 -8.704 1.00 0.00 O ATOM 126 CB PRO A 9 4.534 0.228 -11.586 1.00 0.00 C ATOM 127 CG PRO A 9 5.930 0.487 -11.135 1.00 0.00 C ATOM 128 CD PRO A 9 5.887 1.770 -10.350 1.00 0.00 C ATOM 0 HA PRO A 9 2.706 1.215 -10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.351 -0.839 -11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.334 0.703 -12.547 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.299 -0.334 -10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.604 0.574 -11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.588 1.752 -9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.151 2.627 -10.969 1.00 0.00 H new ATOM 136 N VAL A 10 1.998 -0.642 -9.477 1.00 0.00 N ATOM 137 CA VAL A 10 1.518 -1.683 -8.584 1.00 0.00 C ATOM 138 C VAL A 10 1.086 -2.910 -9.376 1.00 0.00 C ATOM 139 O VAL A 10 0.344 -2.809 -10.353 1.00 0.00 O ATOM 140 CB VAL A 10 0.357 -1.191 -7.687 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.715 -0.492 -8.505 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.247 -2.348 -6.901 1.00 0.00 C ATOM 0 H VAL A 10 1.283 -0.245 -10.087 1.00 0.00 H new ATOM 0 HA VAL A 10 2.347 -1.953 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 10 0.769 -0.469 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.516 -0.158 -7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.281 0.369 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.118 -1.184 -9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.061 -1.979 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.631 -3.097 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.519 -2.798 -6.269 1.00 0.00 H new ATOM 152 N VAL A 11 1.568 -4.063 -8.949 1.00 0.00 N ATOM 153 CA VAL A 11 1.263 -5.318 -9.608 1.00 0.00 C ATOM 154 C VAL A 11 -0.038 -5.876 -9.059 1.00 0.00 C ATOM 155 O VAL A 11 -0.385 -5.616 -7.912 1.00 0.00 O ATOM 156 CB VAL A 11 2.385 -6.343 -9.359 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.261 -6.946 -7.984 1.00 0.00 C ATOM 158 CG2 VAL A 11 2.400 -7.437 -10.399 1.00 0.00 C ATOM 0 H VAL A 11 2.180 -4.155 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 11 1.173 -5.135 -10.679 1.00 0.00 H new ATOM 0 HB VAL A 11 3.328 -5.802 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.063 -7.667 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.331 -6.158 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.298 -7.449 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.208 -8.135 -10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.448 -7.967 -10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.555 -6.999 -11.385 1.00 0.00 H new ATOM 168 N GLU A 12 -0.787 -6.592 -9.870 1.00 0.00 N ATOM 169 CA GLU A 12 -1.928 -7.315 -9.352 1.00 0.00 C ATOM 170 C GLU A 12 -1.723 -8.805 -9.519 1.00 0.00 C ATOM 171 O GLU A 12 -2.010 -9.382 -10.568 1.00 0.00 O ATOM 172 CB GLU A 12 -3.220 -6.852 -10.006 1.00 0.00 C ATOM 173 CG GLU A 12 -3.554 -5.418 -9.655 1.00 0.00 C ATOM 174 CD GLU A 12 -4.980 -5.054 -9.980 1.00 0.00 C ATOM 175 OE1 GLU A 12 -5.282 -4.764 -11.153 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.813 -5.067 -9.052 1.00 0.00 O ATOM 0 H GLU A 12 -0.631 -6.689 -10.873 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.016 -7.101 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.133 -6.949 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.037 -7.501 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.376 -5.258 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.882 -4.751 -10.194 1.00 0.00 H new ATOM 183 N VAL A 13 -1.212 -9.417 -8.467 1.00 0.00 N ATOM 184 CA VAL A 13 -0.907 -10.841 -8.480 1.00 0.00 C ATOM 185 C VAL A 13 -1.793 -11.610 -7.510 1.00 0.00 C ATOM 186 O VAL A 13 -2.645 -11.030 -6.829 1.00 0.00 O ATOM 187 CB VAL A 13 0.576 -11.105 -8.130 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.480 -10.696 -9.281 1.00 0.00 C ATOM 189 CG2 VAL A 13 0.970 -10.372 -6.854 1.00 0.00 C ATOM 0 H VAL A 13 -0.997 -8.949 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.102 -11.192 -9.494 1.00 0.00 H new ATOM 0 HB VAL A 13 0.698 -12.175 -7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.519 -10.890 -9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.220 -11.271 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.350 -9.633 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.017 -10.573 -6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.827 -9.300 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.348 -10.718 -6.029 1.00 0.00 H new ATOM 199 N ASP A 14 -1.587 -12.918 -7.461 1.00 0.00 N ATOM 200 CA ASP A 14 -2.332 -13.788 -6.565 1.00 0.00 C ATOM 201 C ASP A 14 -1.529 -14.007 -5.291 1.00 0.00 C ATOM 202 O ASP A 14 -2.082 -14.282 -4.227 1.00 0.00 O ATOM 203 CB ASP A 14 -2.626 -15.126 -7.252 1.00 0.00 C ATOM 204 CG ASP A 14 -3.579 -16.003 -6.462 1.00 0.00 C ATOM 205 OD1 ASP A 14 -4.782 -15.675 -6.404 1.00 0.00 O ATOM 206 OD2 ASP A 14 -3.135 -17.032 -5.907 1.00 0.00 O ATOM 0 H ASP A 14 -0.901 -13.404 -8.039 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.282 -13.319 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.049 -14.936 -8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.690 -15.663 -7.405 1.00 0.00 H new ATOM 211 N GLU A 15 -0.213 -13.858 -5.411 1.00 0.00 N ATOM 212 CA GLU A 15 0.691 -13.965 -4.278 1.00 0.00 C ATOM 213 C GLU A 15 2.072 -13.465 -4.683 1.00 0.00 C ATOM 214 O GLU A 15 2.365 -13.329 -5.873 1.00 0.00 O ATOM 215 CB GLU A 15 0.767 -15.406 -3.763 1.00 0.00 C ATOM 216 CG GLU A 15 1.479 -16.372 -4.694 1.00 0.00 C ATOM 217 CD GLU A 15 1.631 -17.744 -4.075 1.00 0.00 C ATOM 218 OE1 GLU A 15 2.515 -17.913 -3.208 1.00 0.00 O ATOM 219 OE2 GLU A 15 0.866 -18.659 -4.448 1.00 0.00 O ATOM 0 H GLU A 15 0.253 -13.660 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 15 0.308 -13.348 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.277 -15.407 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.246 -15.770 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.921 -16.454 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.463 -15.976 -4.945 1.00 0.00 H new ATOM 226 N LEU A 16 2.904 -13.171 -3.696 1.00 0.00 N ATOM 227 CA LEU A 16 4.216 -12.598 -3.937 1.00 0.00 C ATOM 228 C LEU A 16 5.242 -13.666 -4.266 1.00 0.00 C ATOM 229 O LEU A 16 5.112 -14.818 -3.857 1.00 0.00 O ATOM 230 CB LEU A 16 4.646 -11.834 -2.696 1.00 0.00 C ATOM 231 CG LEU A 16 3.576 -10.904 -2.155 1.00 0.00 C ATOM 232 CD1 LEU A 16 4.046 -10.220 -0.893 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.167 -9.891 -3.205 1.00 0.00 C ATOM 0 H LEU A 16 2.689 -13.323 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 16 4.154 -11.930 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.924 -12.546 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.538 -11.252 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 16 2.699 -11.501 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.262 -9.559 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.274 -10.970 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.942 -9.637 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.399 -9.234 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.034 -9.298 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.773 -10.411 -4.078 1.00 0.00 H new ATOM 245 N PRO A 17 6.286 -13.277 -5.004 1.00 0.00 N ATOM 246 CA PRO A 17 7.391 -14.167 -5.345 1.00 0.00 C ATOM 247 C PRO A 17 8.273 -14.452 -4.131 1.00 0.00 C ATOM 248 O PRO A 17 8.181 -13.767 -3.104 1.00 0.00 O ATOM 249 CB PRO A 17 8.167 -13.376 -6.399 1.00 0.00 C ATOM 250 CG PRO A 17 7.872 -11.948 -6.095 1.00 0.00 C ATOM 251 CD PRO A 17 6.470 -11.920 -5.551 1.00 0.00 C ATOM 0 HA PRO A 17 7.052 -15.141 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.236 -13.581 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.847 -13.640 -7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.580 -11.550 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.955 -11.333 -6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.353 -11.158 -4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.741 -11.699 -6.331 1.00 0.00 H new ATOM 259 N GLU A 18 9.124 -15.461 -4.249 1.00 0.00 N ATOM 260 CA GLU A 18 10.005 -15.844 -3.157 1.00 0.00 C ATOM 261 C GLU A 18 10.943 -14.695 -2.805 1.00 0.00 C ATOM 262 O GLU A 18 11.497 -14.034 -3.687 1.00 0.00 O ATOM 263 CB GLU A 18 10.806 -17.109 -3.496 1.00 0.00 C ATOM 264 CG GLU A 18 11.651 -17.006 -4.758 1.00 0.00 C ATOM 265 CD GLU A 18 10.837 -17.158 -6.028 1.00 0.00 C ATOM 266 OE1 GLU A 18 10.620 -18.307 -6.466 1.00 0.00 O ATOM 267 OE2 GLU A 18 10.397 -16.134 -6.587 1.00 0.00 O ATOM 0 H GLU A 18 9.223 -16.029 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 18 9.383 -16.070 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.459 -17.345 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.113 -17.943 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.159 -16.042 -4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.425 -17.773 -4.735 1.00 0.00 H new ATOM 274 N GLY A 19 11.107 -14.463 -1.518 1.00 0.00 N ATOM 275 CA GLY A 19 11.869 -13.324 -1.057 1.00 0.00 C ATOM 276 C GLY A 19 10.984 -12.280 -0.408 1.00 0.00 C ATOM 277 O GLY A 19 11.474 -11.273 0.103 1.00 0.00 O ATOM 0 H GLY A 19 10.723 -15.048 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.623 -13.656 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.401 -12.878 -1.898 1.00 0.00 H new ATOM 281 N TYR A 20 9.673 -12.508 -0.446 1.00 0.00 N ATOM 282 CA TYR A 20 8.731 -11.611 0.207 1.00 0.00 C ATOM 283 C TYR A 20 8.070 -12.263 1.410 1.00 0.00 C ATOM 284 O TYR A 20 7.702 -13.438 1.381 1.00 0.00 O ATOM 285 CB TYR A 20 7.673 -11.133 -0.782 1.00 0.00 C ATOM 286 CG TYR A 20 8.196 -10.079 -1.722 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.365 -8.769 -1.295 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.539 -10.396 -3.024 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.862 -7.801 -2.143 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.044 -9.439 -3.879 1.00 0.00 C ATOM 291 CZ TYR A 20 9.204 -8.142 -3.436 1.00 0.00 C ATOM 292 OH TYR A 20 9.723 -7.188 -4.281 1.00 0.00 O ATOM 0 H TYR A 20 9.244 -13.303 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 20 9.297 -10.751 0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.310 -11.983 -1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.820 -10.734 -0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.103 -8.503 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.409 -11.409 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.982 -6.785 -1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.313 -9.704 -4.891 1.00 0.00 H new ATOM 0 HH TYR A 20 8.992 -6.729 -4.745 1.00 0.00 H new ATOM 302 N ASP A 21 7.930 -11.478 2.465 1.00 0.00 N ATOM 303 CA ASP A 21 7.313 -11.938 3.701 1.00 0.00 C ATOM 304 C ASP A 21 5.829 -11.597 3.695 1.00 0.00 C ATOM 305 O ASP A 21 5.432 -10.482 4.057 1.00 0.00 O ATOM 306 CB ASP A 21 7.998 -11.290 4.907 1.00 0.00 C ATOM 307 CG ASP A 21 7.475 -11.814 6.229 1.00 0.00 C ATOM 308 OD1 ASP A 21 6.489 -11.259 6.749 1.00 0.00 O ATOM 309 OD2 ASP A 21 8.058 -12.780 6.762 1.00 0.00 O ATOM 0 H ASP A 21 8.239 -10.506 2.491 1.00 0.00 H new ATOM 0 HA ASP A 21 7.429 -13.019 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.072 -11.469 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.852 -10.211 4.866 1.00 0.00 H new ATOM 314 N ARG A 22 5.014 -12.549 3.274 1.00 0.00 N ATOM 315 CA ARG A 22 3.590 -12.315 3.124 1.00 0.00 C ATOM 316 C ARG A 22 2.811 -12.809 4.337 1.00 0.00 C ATOM 317 O ARG A 22 3.165 -13.809 4.959 1.00 0.00 O ATOM 318 CB ARG A 22 3.057 -12.985 1.854 1.00 0.00 C ATOM 319 CG ARG A 22 1.559 -12.803 1.678 1.00 0.00 C ATOM 320 CD ARG A 22 1.063 -13.276 0.328 1.00 0.00 C ATOM 321 NE ARG A 22 1.242 -14.717 0.141 1.00 0.00 N ATOM 322 CZ ARG A 22 0.240 -15.596 0.079 1.00 0.00 C ATOM 323 NH1 ARG A 22 -1.017 -15.201 0.248 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.502 -16.878 -0.138 1.00 0.00 N ATOM 0 H ARG A 22 5.316 -13.492 3.030 1.00 0.00 H new ATOM 0 HA ARG A 22 3.447 -11.238 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.573 -12.573 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.288 -14.050 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.037 -13.350 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.309 -11.749 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.007 -13.027 0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.595 -12.741 -0.459 1.00 0.00 H new ATOM 0 HE ARG A 22 2.194 -15.072 0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.223 -14.218 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.776 -15.881 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.466 -17.188 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.261 -17.553 -0.186 1.00 0.00 H new ATOM 491 N GLU B 33 -12.918 0.290 2.315 1.00 0.00 N ATOM 492 CA GLU B 33 -12.523 0.484 3.691 1.00 0.00 C ATOM 493 C GLU B 33 -11.235 -0.273 3.957 1.00 0.00 C ATOM 494 O GLU B 33 -11.240 -1.482 4.182 1.00 0.00 O ATOM 495 CB GLU B 33 -13.643 0.018 4.618 1.00 0.00 C ATOM 496 CG GLU B 33 -13.361 0.244 6.086 1.00 0.00 C ATOM 497 CD GLU B 33 -14.625 0.227 6.919 1.00 0.00 C ATOM 498 OE1 GLU B 33 -15.317 1.266 6.968 1.00 0.00 O ATOM 499 OE2 GLU B 33 -14.938 -0.816 7.525 1.00 0.00 O ATOM 0 HA GLU B 33 -12.345 1.542 3.883 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.562 0.539 4.351 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.819 -1.045 4.452 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -12.680 -0.527 6.446 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.856 1.201 6.214 1.00 0.00 H new ATOM 506 N TYR B 34 -10.131 0.441 3.878 1.00 0.00 N ATOM 507 CA TYR B 34 -8.820 -0.160 4.046 1.00 0.00 C ATOM 508 C TYR B 34 -8.422 -0.227 5.510 1.00 0.00 C ATOM 509 O TYR B 34 -8.934 0.523 6.343 1.00 0.00 O ATOM 510 CB TYR B 34 -7.767 0.634 3.283 1.00 0.00 C ATOM 511 CG TYR B 34 -7.990 0.689 1.792 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.738 -0.419 0.994 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.445 1.849 1.182 1.00 0.00 C ATOM 514 CE1 TYR B 34 -7.936 -0.371 -0.370 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.646 1.906 -0.181 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.392 0.794 -0.953 1.00 0.00 C ATOM 517 OH TYR B 34 -8.594 0.851 -2.311 1.00 0.00 O ATOM 0 H TYR B 34 -10.114 1.445 3.697 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.877 -1.174 3.650 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.743 1.652 3.673 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.788 0.196 3.476 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.382 -1.332 1.448 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.645 2.722 1.785 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.735 -1.240 -0.979 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.000 2.817 -0.640 1.00 0.00 H new ATOM 0 HH TYR B 34 -7.979 0.233 -2.759 1.00 0.00 H new ATOM 527 N GLU B 35 -7.508 -1.133 5.808 1.00 0.00 N ATOM 528 CA GLU B 35 -6.897 -1.211 7.118 1.00 0.00 C ATOM 529 C GLU B 35 -5.384 -1.302 6.946 1.00 0.00 C ATOM 530 O GLU B 35 -4.878 -2.226 6.309 1.00 0.00 O ATOM 531 CB GLU B 35 -7.422 -2.418 7.900 1.00 0.00 C ATOM 532 CG GLU B 35 -7.043 -2.387 9.374 1.00 0.00 C ATOM 533 CD GLU B 35 -7.576 -3.575 10.153 1.00 0.00 C ATOM 534 OE1 GLU B 35 -7.085 -4.702 9.945 1.00 0.00 O ATOM 535 OE2 GLU B 35 -8.475 -3.383 10.997 1.00 0.00 O ATOM 0 H GLU B 35 -7.170 -1.834 5.148 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.152 -0.318 7.688 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.508 -2.456 7.811 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.033 -3.332 7.450 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.957 -2.360 9.463 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.422 -1.468 9.821 1.00 0.00 H new ATOM 542 N VAL B 36 -4.684 -0.322 7.488 1.00 0.00 N ATOM 543 CA VAL B 36 -3.239 -0.215 7.336 1.00 0.00 C ATOM 544 C VAL B 36 -2.506 -0.807 8.536 1.00 0.00 C ATOM 545 O VAL B 36 -2.890 -0.582 9.687 1.00 0.00 O ATOM 546 CB VAL B 36 -2.807 1.258 7.166 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.300 1.368 6.997 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.528 1.897 5.990 1.00 0.00 C ATOM 0 H VAL B 36 -5.099 0.424 8.047 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.974 -0.779 6.442 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.084 1.797 8.072 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.023 2.416 6.879 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.804 0.958 7.877 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.991 0.809 6.113 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.209 2.934 5.888 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.288 1.352 5.077 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.604 1.863 6.161 1.00 0.00 H new ATOM 558 N LYS B 37 -1.456 -1.567 8.256 1.00 0.00 N ATOM 559 CA LYS B 37 -0.614 -2.143 9.286 1.00 0.00 C ATOM 560 C LYS B 37 0.835 -1.850 8.939 1.00 0.00 C ATOM 561 O LYS B 37 1.193 -1.807 7.764 1.00 0.00 O ATOM 562 CB LYS B 37 -0.813 -3.662 9.403 1.00 0.00 C ATOM 563 CG LYS B 37 -2.253 -4.112 9.628 1.00 0.00 C ATOM 564 CD LYS B 37 -3.046 -4.122 8.331 1.00 0.00 C ATOM 565 CE LYS B 37 -4.457 -4.636 8.535 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.486 -6.018 9.072 1.00 0.00 N ATOM 0 H LYS B 37 -1.167 -1.800 7.306 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.885 -1.700 10.245 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.440 -4.132 8.493 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.201 -4.030 10.226 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.259 -5.110 10.066 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.735 -3.447 10.344 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.083 -3.113 7.920 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.535 -4.746 7.598 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.986 -3.973 9.219 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -4.991 -4.607 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -5.098 -6.610 8.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.523 -6.410 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.857 -6.005 10.043 1.00 0.00 H new ATOM 580 N MET B 38 1.662 -1.652 9.944 1.00 0.00 N ATOM 581 CA MET B 38 3.053 -1.309 9.713 1.00 0.00 C ATOM 582 C MET B 38 3.964 -2.296 10.426 1.00 0.00 C ATOM 583 O MET B 38 3.712 -2.664 11.573 1.00 0.00 O ATOM 584 CB MET B 38 3.323 0.115 10.188 1.00 0.00 C ATOM 585 CG MET B 38 4.160 0.908 9.208 1.00 0.00 C ATOM 586 SD MET B 38 3.861 2.678 9.297 1.00 0.00 S ATOM 587 CE MET B 38 4.501 3.165 7.702 1.00 0.00 C ATOM 0 H MET B 38 1.398 -1.722 10.927 1.00 0.00 H new ATOM 0 HA MET B 38 3.261 -1.364 8.644 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.374 0.627 10.347 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.832 0.082 11.151 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.215 0.714 9.400 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.951 0.561 8.196 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.094 4.073 7.810 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.128 2.368 7.303 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.672 3.352 7.019 1.00 0.00 H new ATOM 597 N LYS B 39 5.016 -2.731 9.748 1.00 0.00 N ATOM 598 CA LYS B 39 5.903 -3.747 10.300 1.00 0.00 C ATOM 599 C LYS B 39 7.356 -3.370 10.046 1.00 0.00 C ATOM 600 O LYS B 39 7.736 -3.053 8.919 1.00 0.00 O ATOM 601 CB LYS B 39 5.576 -5.116 9.682 1.00 0.00 C ATOM 602 CG LYS B 39 5.931 -6.313 10.558 1.00 0.00 C ATOM 603 CD LYS B 39 7.428 -6.577 10.603 1.00 0.00 C ATOM 604 CE LYS B 39 7.774 -7.683 11.591 1.00 0.00 C ATOM 605 NZ LYS B 39 7.054 -8.949 11.294 1.00 0.00 N ATOM 0 H LYS B 39 5.276 -2.399 8.819 1.00 0.00 H new ATOM 0 HA LYS B 39 5.752 -3.809 11.378 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.510 -5.152 9.456 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.106 -5.207 8.734 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.565 -6.140 11.570 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.420 -7.199 10.182 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.779 -6.854 9.609 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.951 -5.662 10.882 1.00 0.00 H new ATOM 0 HE2 LYS B 39 8.849 -7.865 11.568 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.527 -7.355 12.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.420 -9.708 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 6.038 -8.820 11.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 7.200 -9.206 10.297 1.00 0.00 H new ATOM 619 N ARG B 40 8.159 -3.404 11.100 1.00 0.00 N ATOM 620 CA ARG B 40 9.558 -3.009 11.013 1.00 0.00 C ATOM 621 C ARG B 40 10.458 -4.223 10.838 1.00 0.00 C ATOM 622 O ARG B 40 10.300 -5.236 11.522 1.00 0.00 O ATOM 623 CB ARG B 40 9.986 -2.221 12.259 1.00 0.00 C ATOM 624 CG ARG B 40 9.519 -0.771 12.270 1.00 0.00 C ATOM 625 CD ARG B 40 8.007 -0.657 12.365 1.00 0.00 C ATOM 626 NE ARG B 40 7.552 0.716 12.150 1.00 0.00 N ATOM 627 CZ ARG B 40 6.328 1.158 12.433 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.429 0.348 12.979 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.005 2.418 12.175 1.00 0.00 N ATOM 0 H ARG B 40 7.864 -3.703 12.030 1.00 0.00 H new ATOM 0 HA ARG B 40 9.662 -2.366 10.139 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.597 -2.723 13.145 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.073 -2.242 12.333 1.00 0.00 H new ATOM 0 HG2 ARG B 40 9.975 -0.250 13.112 1.00 0.00 H new ATOM 0 HG3 ARG B 40 9.863 -0.273 11.364 1.00 0.00 H new ATOM 0 HD2 ARG B 40 7.546 -1.313 11.626 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.677 -1.000 13.346 1.00 0.00 H new ATOM 0 HE ARG B 40 8.218 1.381 11.756 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.674 -0.621 13.185 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.494 0.694 13.193 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.693 3.046 11.761 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.068 2.759 12.391 1.00 0.00 H new ATOM 643 N PHE B 41 11.392 -4.115 9.909 1.00 0.00 N ATOM 644 CA PHE B 41 12.361 -5.171 9.675 1.00 0.00 C ATOM 645 C PHE B 41 13.760 -4.697 10.033 1.00 0.00 C ATOM 646 O PHE B 41 14.002 -3.501 10.197 1.00 0.00 O ATOM 647 CB PHE B 41 12.328 -5.637 8.217 1.00 0.00 C ATOM 648 CG PHE B 41 11.159 -6.520 7.888 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.892 -5.988 7.704 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.331 -7.887 7.767 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.822 -6.808 7.404 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.263 -8.711 7.466 1.00 0.00 C ATOM 653 CZ PHE B 41 9.007 -8.170 7.286 1.00 0.00 C ATOM 0 H PHE B 41 11.500 -3.302 9.302 1.00 0.00 H new ATOM 0 HA PHE B 41 12.095 -6.014 10.313 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.305 -4.763 7.567 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.250 -6.174 7.996 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.740 -4.923 7.796 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.312 -8.316 7.909 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.840 -6.383 7.262 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.412 -9.777 7.372 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.170 -8.811 7.053 1.00 0.00 H new ATOM 663 N LYS B 42 14.667 -5.644 10.165 1.00 0.00 N ATOM 664 CA LYS B 42 16.050 -5.352 10.492 1.00 0.00 C ATOM 665 C LYS B 42 16.968 -6.327 9.767 1.00 0.00 C ATOM 666 O LYS B 42 16.872 -7.542 9.952 1.00 0.00 O ATOM 667 CB LYS B 42 16.263 -5.426 12.006 1.00 0.00 C ATOM 668 CG LYS B 42 15.672 -6.673 12.641 1.00 0.00 C ATOM 669 CD LYS B 42 15.794 -6.643 14.151 1.00 0.00 C ATOM 670 CE LYS B 42 15.119 -7.850 14.784 1.00 0.00 C ATOM 671 NZ LYS B 42 13.668 -7.916 14.462 1.00 0.00 N ATOM 0 H LYS B 42 14.467 -6.637 10.049 1.00 0.00 H new ATOM 0 HA LYS B 42 16.290 -4.340 10.165 1.00 0.00 H new ATOM 0 HB2 LYS B 42 17.332 -5.392 12.217 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.819 -4.546 12.471 1.00 0.00 H new ATOM 0 HG2 LYS B 42 14.622 -6.761 12.362 1.00 0.00 H new ATOM 0 HG3 LYS B 42 16.180 -7.555 12.252 1.00 0.00 H new ATOM 0 HD2 LYS B 42 16.847 -6.623 14.433 1.00 0.00 H new ATOM 0 HD3 LYS B 42 15.344 -5.728 14.536 1.00 0.00 H new ATOM 0 HE2 LYS B 42 15.608 -8.761 14.438 1.00 0.00 H new ATOM 0 HE3 LYS B 42 15.248 -7.810 15.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 13.197 -8.576 15.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 13.247 -6.970 14.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 13.544 -8.248 13.484 1.00 0.00 H new ATOM 685 N GLY B 43 17.833 -5.790 8.923 1.00 0.00 N ATOM 686 CA GLY B 43 18.715 -6.624 8.134 1.00 0.00 C ATOM 687 C GLY B 43 17.948 -7.469 7.137 1.00 0.00 C ATOM 688 O GLY B 43 18.209 -8.665 6.994 1.00 0.00 O ATOM 0 H GLY B 43 17.941 -4.787 8.769 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.431 -5.996 7.604 1.00 0.00 H new ATOM 0 HA3 GLY B 43 19.289 -7.273 8.795 1.00 0.00 H new ATOM 692 N ALA B 44 16.980 -6.855 6.469 1.00 0.00 N ATOM 693 CA ALA B 44 16.180 -7.551 5.478 1.00 0.00 C ATOM 694 C ALA B 44 16.239 -6.822 4.146 1.00 0.00 C ATOM 695 O ALA B 44 16.773 -5.712 4.062 1.00 0.00 O ATOM 696 CB ALA B 44 14.741 -7.681 5.956 1.00 0.00 C ATOM 0 H ALA B 44 16.732 -5.874 6.598 1.00 0.00 H new ATOM 0 HA ALA B 44 16.587 -8.553 5.340 1.00 0.00 H new ATOM 0 HB1 ALA B 44 14.153 -8.205 5.202 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.717 -8.243 6.890 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.321 -6.689 6.119 1.00 0.00 H new ATOM 702 N ALA B 45 15.697 -7.445 3.107 1.00 0.00 N ATOM 703 CA ALA B 45 15.664 -6.843 1.781 1.00 0.00 C ATOM 704 C ALA B 45 14.789 -5.594 1.778 1.00 0.00 C ATOM 705 O ALA B 45 14.894 -4.742 0.896 1.00 0.00 O ATOM 706 CB ALA B 45 15.159 -7.853 0.762 1.00 0.00 C ATOM 0 H ALA B 45 15.273 -8.371 3.158 1.00 0.00 H new ATOM 0 HA ALA B 45 16.677 -6.547 1.508 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.138 -7.393 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.823 -8.717 0.746 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.153 -8.173 1.035 1.00 0.00 H new ATOM 712 N TYR B 46 13.934 -5.498 2.780 1.00 0.00 N ATOM 713 CA TYR B 46 13.034 -4.372 2.949 1.00 0.00 C ATOM 714 C TYR B 46 13.040 -3.955 4.409 1.00 0.00 C ATOM 715 O TYR B 46 13.016 -4.799 5.300 1.00 0.00 O ATOM 716 CB TYR B 46 11.619 -4.740 2.477 1.00 0.00 C ATOM 717 CG TYR B 46 11.297 -6.210 2.626 1.00 0.00 C ATOM 718 CD1 TYR B 46 11.160 -6.790 3.880 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.144 -7.021 1.509 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.887 -8.135 4.017 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.864 -8.367 1.637 1.00 0.00 C ATOM 722 CZ TYR B 46 10.741 -8.918 2.894 1.00 0.00 C ATOM 723 OH TYR B 46 10.467 -10.259 3.030 1.00 0.00 O ATOM 0 H TYR B 46 13.844 -6.208 3.507 1.00 0.00 H new ATOM 0 HA TYR B 46 13.370 -3.533 2.340 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.893 -4.158 3.044 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.508 -4.456 1.430 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.269 -6.178 4.763 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.246 -6.591 0.523 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.788 -8.572 5.000 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.742 -8.983 0.759 1.00 0.00 H new ATOM 0 HH TYR B 46 10.733 -10.732 2.214 1.00 0.00 H new ATOM 733 N LYS B 47 13.096 -2.659 4.648 1.00 0.00 N ATOM 734 CA LYS B 47 13.242 -2.132 5.995 1.00 0.00 C ATOM 735 C LYS B 47 11.879 -1.962 6.637 1.00 0.00 C ATOM 736 O LYS B 47 11.746 -1.976 7.866 1.00 0.00 O ATOM 737 CB LYS B 47 13.980 -0.783 5.985 1.00 0.00 C ATOM 738 CG LYS B 47 15.456 -0.861 5.589 1.00 0.00 C ATOM 739 CD LYS B 47 15.652 -1.239 4.127 1.00 0.00 C ATOM 740 CE LYS B 47 15.183 -0.141 3.185 1.00 0.00 C ATOM 741 NZ LYS B 47 15.133 -0.612 1.779 1.00 0.00 N ATOM 0 H LYS B 47 13.042 -1.945 3.922 1.00 0.00 H new ATOM 0 HA LYS B 47 13.831 -2.843 6.573 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.469 -0.110 5.296 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.908 -0.338 6.977 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.930 0.102 5.778 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.959 -1.593 6.220 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.706 -1.447 3.945 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.105 -2.157 3.914 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.194 0.203 3.490 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.855 0.714 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.975 0.199 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 16.033 -1.072 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.355 -1.294 1.669 1.00 0.00 H new ATOM 755 N LEU B 48 10.869 -1.799 5.800 1.00 0.00 N ATOM 756 CA LEU B 48 9.517 -1.587 6.280 1.00 0.00 C ATOM 757 C LEU B 48 8.515 -2.351 5.420 1.00 0.00 C ATOM 758 O LEU B 48 8.648 -2.409 4.196 1.00 0.00 O ATOM 759 CB LEU B 48 9.198 -0.086 6.271 1.00 0.00 C ATOM 760 CG LEU B 48 8.405 0.436 7.477 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.030 -0.192 7.546 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.157 0.175 8.768 1.00 0.00 C ATOM 0 H LEU B 48 10.961 -1.810 4.784 1.00 0.00 H new ATOM 0 HA LEU B 48 9.440 -1.962 7.301 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.136 0.465 6.211 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.636 0.141 5.365 1.00 0.00 H new ATOM 0 HG LEU B 48 8.285 1.512 7.348 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.494 0.199 8.411 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.475 0.046 6.638 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.128 -1.274 7.638 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.577 0.553 9.610 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.314 -0.897 8.887 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.122 0.681 8.736 1.00 0.00 H new ATOM 774 N ARG B 49 7.531 -2.954 6.073 1.00 0.00 N ATOM 775 CA ARG B 49 6.447 -3.634 5.382 1.00 0.00 C ATOM 776 C ARG B 49 5.112 -3.042 5.813 1.00 0.00 C ATOM 777 O ARG B 49 4.771 -3.064 6.995 1.00 0.00 O ATOM 778 CB ARG B 49 6.465 -5.129 5.693 1.00 0.00 C ATOM 779 CG ARG B 49 5.473 -5.933 4.875 1.00 0.00 C ATOM 780 CD ARG B 49 5.308 -7.341 5.422 1.00 0.00 C ATOM 781 NE ARG B 49 4.507 -7.364 6.648 1.00 0.00 N ATOM 782 CZ ARG B 49 3.946 -8.467 7.147 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.155 -9.643 6.572 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.182 -8.397 8.230 1.00 0.00 N ATOM 0 H ARG B 49 7.463 -2.985 7.090 1.00 0.00 H new ATOM 0 HA ARG B 49 6.580 -3.497 4.309 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.468 -5.516 5.515 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.251 -5.274 6.752 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.507 -5.427 4.873 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.809 -5.981 3.839 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.834 -7.969 4.668 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.290 -7.769 5.623 1.00 0.00 H new ATOM 0 HE ARG B 49 4.370 -6.486 7.149 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.747 -9.708 5.744 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.724 -10.483 6.958 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.022 -7.498 8.684 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.755 -9.242 8.608 1.00 0.00 H new ATOM 798 N ILE B 50 4.369 -2.504 4.864 1.00 0.00 N ATOM 799 CA ILE B 50 3.080 -1.895 5.159 1.00 0.00 C ATOM 800 C ILE B 50 1.977 -2.719 4.508 1.00 0.00 C ATOM 801 O ILE B 50 2.044 -3.035 3.321 1.00 0.00 O ATOM 802 CB ILE B 50 2.979 -0.417 4.673 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.147 0.450 5.172 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.677 0.199 5.155 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.488 0.147 4.541 1.00 0.00 C ATOM 0 H ILE B 50 4.634 -2.475 3.880 1.00 0.00 H new ATOM 0 HA ILE B 50 2.969 -1.882 6.243 1.00 0.00 H new ATOM 0 HB ILE B 50 3.017 -0.441 3.584 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.905 1.497 4.989 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.235 0.327 6.251 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.614 1.232 4.811 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.836 -0.368 4.756 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.645 0.176 6.244 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.245 0.811 4.959 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.761 -0.888 4.745 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.426 0.300 3.464 1.00 0.00 H new ATOM 817 N LEU B 51 0.989 -3.089 5.301 1.00 0.00 N ATOM 818 CA LEU B 51 -0.115 -3.910 4.828 1.00 0.00 C ATOM 819 C LEU B 51 -1.393 -3.092 4.788 1.00 0.00 C ATOM 820 O LEU B 51 -1.850 -2.599 5.811 1.00 0.00 O ATOM 821 CB LEU B 51 -0.307 -5.129 5.740 1.00 0.00 C ATOM 822 CG LEU B 51 0.338 -6.436 5.266 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.361 -6.956 4.023 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.822 -6.249 4.997 1.00 0.00 C ATOM 0 H LEU B 51 0.927 -2.832 6.286 1.00 0.00 H new ATOM 0 HA LEU B 51 0.120 -4.258 3.822 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.093 -4.887 6.725 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.376 -5.300 5.864 1.00 0.00 H new ATOM 0 HG LEU B 51 0.228 -7.171 6.063 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.111 -7.884 3.702 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.411 -7.142 4.247 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.285 -6.216 3.226 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.253 -7.193 4.662 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.959 -5.493 4.224 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.320 -5.927 5.912 1.00 0.00 H new ATOM 836 N ILE B 52 -1.950 -2.925 3.605 1.00 0.00 N ATOM 837 CA ILE B 52 -3.202 -2.203 3.458 1.00 0.00 C ATOM 838 C ILE B 52 -4.216 -3.086 2.755 1.00 0.00 C ATOM 839 O ILE B 52 -4.136 -3.286 1.545 1.00 0.00 O ATOM 840 CB ILE B 52 -3.046 -0.892 2.650 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.903 -0.030 3.191 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.345 -0.103 2.672 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.564 -0.326 2.552 1.00 0.00 C ATOM 0 H ILE B 52 -1.558 -3.278 2.732 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.536 -1.940 4.462 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.805 -1.164 1.622 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.146 1.021 3.034 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.823 -0.181 4.268 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.222 0.817 2.100 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.142 -0.701 2.230 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.604 0.142 3.702 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.197 0.323 2.985 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.298 -1.368 2.731 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.626 -0.147 1.479 1.00 0.00 H new ATOM 855 N GLU B 53 -5.162 -3.631 3.497 1.00 0.00 N ATOM 856 CA GLU B 53 -6.135 -4.515 2.892 1.00 0.00 C ATOM 857 C GLU B 53 -7.491 -3.841 2.819 1.00 0.00 C ATOM 858 O GLU B 53 -7.828 -2.995 3.650 1.00 0.00 O ATOM 859 CB GLU B 53 -6.221 -5.840 3.649 1.00 0.00 C ATOM 860 CG GLU B 53 -6.849 -5.732 5.022 1.00 0.00 C ATOM 861 CD GLU B 53 -6.667 -6.997 5.834 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.312 -8.014 5.507 1.00 0.00 O ATOM 863 OE2 GLU B 53 -5.866 -6.987 6.789 1.00 0.00 O ATOM 0 H GLU B 53 -5.275 -3.480 4.499 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.808 -4.736 1.876 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.797 -6.549 3.054 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.217 -6.252 3.753 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.407 -4.892 5.557 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.913 -5.519 4.918 1.00 0.00 H new ATOM 870 N ASN B 54 -8.245 -4.206 1.807 1.00 0.00 N ATOM 871 CA ASN B 54 -9.550 -3.624 1.567 1.00 0.00 C ATOM 872 C ASN B 54 -10.626 -4.517 2.155 1.00 0.00 C ATOM 873 O ASN B 54 -10.837 -5.634 1.689 1.00 0.00 O ATOM 874 CB ASN B 54 -9.780 -3.468 0.065 1.00 0.00 C ATOM 875 CG ASN B 54 -10.880 -2.479 -0.292 1.00 0.00 C ATOM 876 OD1 ASN B 54 -10.821 -1.833 -1.336 1.00 0.00 O ATOM 877 ND2 ASN B 54 -11.892 -2.348 0.554 1.00 0.00 N ATOM 0 H ASN B 54 -7.973 -4.915 1.126 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.595 -2.644 2.042 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -8.850 -3.146 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.029 -4.441 -0.357 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.649 -1.697 0.346 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -11.913 -2.898 1.413 1.00 0.00 H new ATOM 884 N LYS B 55 -11.297 -4.028 3.177 1.00 0.00 N ATOM 885 CA LYS B 55 -12.375 -4.772 3.795 1.00 0.00 C ATOM 886 C LYS B 55 -13.592 -3.880 4.011 1.00 0.00 C ATOM 887 O LYS B 55 -13.708 -3.184 5.018 1.00 0.00 O ATOM 888 CB LYS B 55 -11.894 -5.391 5.111 1.00 0.00 C ATOM 889 CG LYS B 55 -11.056 -4.452 5.973 1.00 0.00 C ATOM 890 CD LYS B 55 -10.537 -5.151 7.220 1.00 0.00 C ATOM 891 CE LYS B 55 -11.673 -5.728 8.049 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.180 -6.410 9.272 1.00 0.00 N ATOM 0 H LYS B 55 -11.115 -3.117 3.598 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.677 -5.579 3.128 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.762 -5.716 5.685 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.307 -6.282 4.888 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.216 -4.075 5.390 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.656 -3.589 6.262 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.853 -5.949 6.933 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.967 -4.445 7.824 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -12.358 -4.928 8.331 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -12.240 -6.435 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -11.987 -6.789 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.547 -7.190 9.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.661 -5.730 9.863 1.00 0.00 H new ATOM 906 N ALA B 56 -14.497 -3.912 3.045 1.00 0.00 N ATOM 907 CA ALA B 56 -15.714 -3.116 3.092 1.00 0.00 C ATOM 908 C ALA B 56 -16.902 -3.964 2.660 1.00 0.00 C ATOM 909 O ALA B 56 -16.704 -5.009 2.037 1.00 0.00 O ATOM 910 CB ALA B 56 -15.577 -1.890 2.196 1.00 0.00 C ATOM 0 H ALA B 56 -14.409 -4.489 2.208 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.879 -2.776 4.115 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.494 -1.303 2.240 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.740 -1.281 2.538 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.399 -2.208 1.169 1.00 0.00 H new ATOM 1027 N PHE B 64 -6.230 1.932 -8.395 1.00 0.00 N ATOM 1028 CA PHE B 64 -5.057 1.902 -7.540 1.00 0.00 C ATOM 1029 C PHE B 64 -3.906 2.597 -8.241 1.00 0.00 C ATOM 1030 O PHE B 64 -3.352 2.079 -9.211 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.650 0.474 -7.176 1.00 0.00 C ATOM 1032 CG PHE B 64 -5.497 -0.148 -6.105 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -5.179 0.044 -4.773 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -6.596 -0.926 -6.425 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.940 -0.528 -3.774 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -7.365 -1.501 -5.431 1.00 0.00 C ATOM 1037 CZ PHE B 64 -7.036 -1.302 -4.104 1.00 0.00 C ATOM 0 HA PHE B 64 -5.305 2.420 -6.614 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -4.700 -0.146 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.611 0.476 -6.848 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.324 0.650 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -6.855 -1.085 -7.461 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.680 -0.371 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -8.222 -2.105 -5.691 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.635 -1.751 -3.325 1.00 0.00 H new ATOM 1047 N SER B 65 -3.555 3.773 -7.766 1.00 0.00 N ATOM 1048 CA SER B 65 -2.480 4.534 -8.371 1.00 0.00 C ATOM 1049 C SER B 65 -1.600 5.145 -7.291 1.00 0.00 C ATOM 1050 O SER B 65 -1.726 6.327 -6.965 1.00 0.00 O ATOM 1051 CB SER B 65 -3.054 5.630 -9.273 1.00 0.00 C ATOM 1052 OG SER B 65 -4.001 5.098 -10.187 1.00 0.00 O ATOM 0 H SER B 65 -3.997 4.223 -6.964 1.00 0.00 H new ATOM 0 HA SER B 65 -1.872 3.864 -8.979 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.527 6.398 -8.661 1.00 0.00 H new ATOM 0 HB3 SER B 65 -2.246 6.113 -9.822 1.00 0.00 H new ATOM 0 HG SER B 65 -4.353 5.819 -10.750 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.691 4.341 -6.726 1.00 0.00 N ATOM 1059 CA PRO B 66 0.214 4.794 -5.682 1.00 0.00 C ATOM 1060 C PRO B 66 1.382 5.587 -6.247 1.00 0.00 C ATOM 1061 O PRO B 66 1.810 5.370 -7.384 1.00 0.00 O ATOM 1062 CB PRO B 66 0.696 3.494 -5.045 1.00 0.00 C ATOM 1063 CG PRO B 66 0.627 2.486 -6.141 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.485 2.919 -7.058 1.00 0.00 C ATOM 0 HA PRO B 66 -0.271 5.468 -4.976 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.712 3.594 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.065 3.208 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.574 2.434 -6.679 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.433 1.491 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.211 2.790 -8.105 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.390 2.335 -6.890 1.00 0.00 H new ATOM 1072 N SER B 67 1.888 6.518 -5.464 1.00 0.00 N ATOM 1073 CA SER B 67 2.981 7.369 -5.908 1.00 0.00 C ATOM 1074 C SER B 67 3.773 7.884 -4.713 1.00 0.00 C ATOM 1075 O SER B 67 3.228 8.060 -3.622 1.00 0.00 O ATOM 1076 CB SER B 67 2.450 8.542 -6.733 1.00 0.00 C ATOM 1077 OG SER B 67 1.536 8.102 -7.728 1.00 0.00 O ATOM 0 H SER B 67 1.562 6.707 -4.516 1.00 0.00 H new ATOM 0 HA SER B 67 3.643 6.774 -6.537 1.00 0.00 H new ATOM 0 HB2 SER B 67 1.958 9.258 -6.075 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.282 9.063 -7.206 1.00 0.00 H new ATOM 0 HG SER B 67 1.212 8.873 -8.239 1.00 0.00 H new ATOM 1083 N TYR B 68 5.058 8.120 -4.926 1.00 0.00 N ATOM 1084 CA TYR B 68 5.946 8.536 -3.856 1.00 0.00 C ATOM 1085 C TYR B 68 6.472 9.941 -4.094 1.00 0.00 C ATOM 1086 O TYR B 68 7.063 10.237 -5.134 1.00 0.00 O ATOM 1087 CB TYR B 68 7.118 7.566 -3.730 1.00 0.00 C ATOM 1088 CG TYR B 68 8.143 7.978 -2.698 1.00 0.00 C ATOM 1089 CD1 TYR B 68 7.827 8.023 -1.346 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.430 8.326 -3.080 1.00 0.00 C ATOM 1091 CE1 TYR B 68 8.763 8.401 -0.406 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.371 8.704 -2.145 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.033 8.740 -0.810 1.00 0.00 C ATOM 1094 OH TYR B 68 10.970 9.120 0.124 1.00 0.00 O ATOM 0 H TYR B 68 5.510 8.029 -5.836 1.00 0.00 H new ATOM 0 HA TYR B 68 5.372 8.533 -2.929 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.734 6.579 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.608 7.475 -4.699 1.00 0.00 H new ATOM 0 HD1 TYR B 68 6.831 7.757 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.700 8.301 -4.126 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.500 8.431 0.641 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.369 8.971 -2.458 1.00 0.00 H new ATOM 0 HH TYR B 68 11.850 8.775 -0.136 1.00 0.00 H new ATOM 1104 N ASN B 69 6.256 10.799 -3.123 1.00 0.00 N ATOM 1105 CA ASN B 69 6.798 12.146 -3.164 1.00 0.00 C ATOM 1106 C ASN B 69 7.978 12.272 -2.211 1.00 0.00 C ATOM 1107 O ASN B 69 7.819 12.193 -0.992 1.00 0.00 O ATOM 1108 CB ASN B 69 5.721 13.188 -2.843 1.00 0.00 C ATOM 1109 CG ASN B 69 4.785 12.768 -1.726 1.00 0.00 C ATOM 1110 OD1 ASN B 69 3.768 12.116 -1.963 1.00 0.00 O ATOM 1111 ND2 ASN B 69 5.111 13.153 -0.509 1.00 0.00 N ATOM 0 H ASN B 69 5.706 10.590 -2.289 1.00 0.00 H new ATOM 0 HA ASN B 69 7.151 12.339 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.204 14.125 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.136 13.383 -3.742 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.511 12.912 0.280 1.00 0.00 H new ATOM 0 HD22 ASN B 69 5.963 13.692 -0.356 1.00 0.00 H new ATOM 1118 N PHE B 70 9.162 12.477 -2.786 1.00 0.00 N ATOM 1119 CA PHE B 70 10.408 12.536 -2.020 1.00 0.00 C ATOM 1120 C PHE B 70 10.402 13.718 -1.065 1.00 0.00 C ATOM 1121 O PHE B 70 10.973 13.655 0.023 1.00 0.00 O ATOM 1122 CB PHE B 70 11.613 12.665 -2.958 1.00 0.00 C ATOM 1123 CG PHE B 70 11.848 11.483 -3.854 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.153 11.347 -5.043 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.778 10.515 -3.511 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.379 10.266 -5.871 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.008 9.432 -4.337 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.307 9.308 -5.519 1.00 0.00 C ATOM 0 H PHE B 70 9.286 12.606 -3.790 1.00 0.00 H new ATOM 0 HA PHE B 70 10.486 11.611 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.479 13.551 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.507 12.830 -2.356 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.426 12.094 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.329 10.608 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.829 10.170 -6.795 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.735 8.684 -4.058 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.485 8.463 -6.167 1.00 0.00 H new ATOM 1138 N ALA B 71 9.745 14.790 -1.492 1.00 0.00 N ATOM 1139 CA ALA B 71 9.675 16.028 -0.727 1.00 0.00 C ATOM 1140 C ALA B 71 9.162 15.789 0.686 1.00 0.00 C ATOM 1141 O ALA B 71 9.698 16.324 1.656 1.00 0.00 O ATOM 1142 CB ALA B 71 8.777 17.016 -1.447 1.00 0.00 C ATOM 0 H ALA B 71 9.245 14.825 -2.380 1.00 0.00 H new ATOM 0 HA ALA B 71 10.683 16.435 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.724 17.943 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.184 17.223 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.777 16.593 -1.547 1.00 0.00 H new ATOM 1148 N GLU B 72 8.125 14.976 0.800 1.00 0.00 N ATOM 1149 CA GLU B 72 7.521 14.706 2.093 1.00 0.00 C ATOM 1150 C GLU B 72 7.812 13.278 2.520 1.00 0.00 C ATOM 1151 O GLU B 72 7.338 12.829 3.559 1.00 0.00 O ATOM 1152 CB GLU B 72 6.011 14.918 2.033 1.00 0.00 C ATOM 1153 CG GLU B 72 5.588 16.023 1.082 1.00 0.00 C ATOM 1154 CD GLU B 72 4.089 16.228 1.047 1.00 0.00 C ATOM 1155 OE1 GLU B 72 3.411 15.580 0.224 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.578 17.044 1.838 1.00 0.00 O ATOM 0 H GLU B 72 7.686 14.493 0.016 1.00 0.00 H new ATOM 0 HA GLU B 72 7.949 15.396 2.820 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.534 13.986 1.729 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.646 15.152 3.033 1.00 0.00 H new ATOM 0 HG2 GLU B 72 6.070 16.955 1.378 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.941 15.786 0.078 1.00 0.00 H new ATOM 1163 N ASN B 73 8.597 12.585 1.682 1.00 0.00 N ATOM 1164 CA ASN B 73 8.967 11.169 1.870 1.00 0.00 C ATOM 1165 C ASN B 73 7.746 10.314 2.194 1.00 0.00 C ATOM 1166 O ASN B 73 7.778 9.453 3.076 1.00 0.00 O ATOM 1167 CB ASN B 73 10.078 10.980 2.932 1.00 0.00 C ATOM 1168 CG ASN B 73 9.748 11.585 4.285 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.120 12.722 4.577 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.049 10.835 5.117 1.00 0.00 N ATOM 0 H ASN B 73 9.000 12.997 0.840 1.00 0.00 H new ATOM 0 HA ASN B 73 9.378 10.828 0.920 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.268 9.914 3.059 1.00 0.00 H new ATOM 0 HB3 ASN B 73 11.001 11.426 2.561 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.799 11.193 6.039 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.759 9.898 4.838 1.00 0.00 H new ATOM 1177 N ILE B 74 6.674 10.542 1.450 1.00 0.00 N ATOM 1178 CA ILE B 74 5.426 9.842 1.687 1.00 0.00 C ATOM 1179 C ILE B 74 4.977 9.068 0.453 1.00 0.00 C ATOM 1180 O ILE B 74 5.023 9.579 -0.669 1.00 0.00 O ATOM 1181 CB ILE B 74 4.333 10.835 2.126 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.669 11.379 3.513 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.961 10.178 2.120 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.973 12.674 3.848 1.00 0.00 C ATOM 0 H ILE B 74 6.646 11.207 0.677 1.00 0.00 H new ATOM 0 HA ILE B 74 5.593 9.121 2.488 1.00 0.00 H new ATOM 0 HB ILE B 74 4.301 11.661 1.416 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.402 10.631 4.260 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.746 11.529 3.582 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.209 10.902 2.434 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.730 9.828 1.114 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.960 9.332 2.808 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.263 12.995 4.848 1.00 0.00 H new ATOM 0 HD12 ILE B 74 4.258 13.438 3.125 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.894 12.527 3.813 1.00 0.00 H new ATOM 1196 N LEU B 75 4.572 7.826 0.676 1.00 0.00 N ATOM 1197 CA LEU B 75 4.039 6.977 -0.373 1.00 0.00 C ATOM 1198 C LEU B 75 2.521 6.946 -0.249 1.00 0.00 C ATOM 1199 O LEU B 75 1.978 6.335 0.666 1.00 0.00 O ATOM 1200 CB LEU B 75 4.637 5.559 -0.250 1.00 0.00 C ATOM 1201 CG LEU B 75 4.249 4.538 -1.335 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.839 4.001 -1.124 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.385 5.150 -2.719 1.00 0.00 C ATOM 0 H LEU B 75 4.605 7.380 1.593 1.00 0.00 H new ATOM 0 HA LEU B 75 4.307 7.369 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.723 5.649 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.345 5.152 0.718 1.00 0.00 H new ATOM 0 HG LEU B 75 4.938 3.697 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.602 3.283 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.778 3.509 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.127 4.825 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.106 4.413 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.729 6.017 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.417 5.460 -2.880 1.00 0.00 H new ATOM 1215 N TYR B 76 1.838 7.611 -1.154 1.00 0.00 N ATOM 1216 CA TYR B 76 0.393 7.657 -1.100 1.00 0.00 C ATOM 1217 C TYR B 76 -0.185 6.527 -1.946 1.00 0.00 C ATOM 1218 O TYR B 76 0.344 6.205 -3.012 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.105 9.037 -1.561 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.821 9.038 -2.883 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -0.118 9.158 -4.068 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -2.199 8.917 -2.938 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -0.771 9.155 -5.282 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -2.863 8.910 -4.148 1.00 0.00 C ATOM 1225 CZ TYR B 76 -2.144 9.028 -5.319 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.799 9.011 -6.531 1.00 0.00 O ATOM 0 H TYR B 76 2.255 8.124 -1.931 1.00 0.00 H new ATOM 0 HA TYR B 76 0.053 7.514 -0.075 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.774 9.439 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.748 9.713 -1.625 1.00 0.00 H new ATOM 0 HD1 TYR B 76 0.957 9.255 -4.042 1.00 0.00 H new ATOM 0 HD2 TYR B 76 -2.762 8.827 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -0.210 9.252 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -3.938 8.813 -4.178 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.642 8.152 -6.976 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.251 5.909 -1.452 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.870 4.788 -2.144 1.00 0.00 C ATOM 1238 C ILE B 77 -2.973 5.273 -3.071 1.00 0.00 C ATOM 1239 O ILE B 77 -2.924 5.060 -4.280 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.463 3.762 -1.151 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.355 3.120 -0.307 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.260 2.700 -1.895 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.343 2.339 -1.119 1.00 0.00 C ATOM 0 H ILE B 77 -1.704 6.166 -0.575 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.087 4.301 -2.725 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.139 4.288 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.836 3.901 0.249 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.810 2.455 0.427 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.670 1.986 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -4.074 3.174 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.607 2.179 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.409 1.915 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.848 1.535 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.140 3.004 -1.835 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.960 5.929 -2.489 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.106 6.429 -3.230 1.00 0.00 C ATOM 1257 C ASN B 78 -5.630 7.680 -2.558 1.00 0.00 C ATOM 1258 O ASN B 78 -5.095 8.101 -1.533 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.221 5.378 -3.299 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.042 4.384 -4.434 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.487 4.711 -5.487 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.530 3.169 -4.238 1.00 0.00 N ATOM 0 H ASN B 78 -3.991 6.131 -1.490 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.787 6.656 -4.247 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.259 4.836 -2.354 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -7.180 5.883 -3.416 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.454 2.464 -4.972 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.982 2.937 -3.353 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.687 8.258 -3.107 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.292 9.429 -2.495 1.00 0.00 C ATOM 1271 C GLY B 79 -8.022 9.092 -1.207 1.00 0.00 C ATOM 1272 O GLY B 79 -8.697 9.938 -0.623 1.00 0.00 O ATOM 0 H GLY B 79 -7.139 7.940 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.519 10.169 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.990 9.884 -3.198 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.891 7.846 -0.770 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.523 7.390 0.455 1.00 0.00 C ATOM 1278 C LYS B 80 -7.546 7.509 1.612 1.00 0.00 C ATOM 1279 O LYS B 80 -7.907 7.957 2.700 1.00 0.00 O ATOM 1280 CB LYS B 80 -8.972 5.930 0.323 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.663 5.604 -0.992 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.839 6.528 -1.270 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.891 6.460 -0.176 1.00 0.00 C ATOM 1284 NZ LYS B 80 -13.015 7.396 -0.440 1.00 0.00 N ATOM 0 H LYS B 80 -7.348 7.130 -1.252 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.397 8.013 0.642 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.102 5.283 0.433 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.649 5.695 1.144 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -8.943 5.680 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -10.012 4.572 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -10.480 7.553 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -11.292 6.260 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -12.274 5.442 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.434 6.700 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.714 7.323 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -12.652 8.370 -0.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -13.466 7.151 -1.345 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.306 7.106 1.366 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.281 7.115 2.398 1.00 0.00 C ATOM 1300 C LEU B 81 -3.879 7.144 1.800 1.00 0.00 C ATOM 1301 O LEU B 81 -3.654 6.703 0.665 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.445 5.923 3.359 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.670 4.546 2.719 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.444 4.073 1.960 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.037 3.539 3.787 1.00 0.00 C ATOM 0 H LEU B 81 -5.987 6.768 0.458 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.412 8.032 2.973 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.554 5.866 3.985 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.286 6.132 4.020 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.488 4.638 2.004 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.642 3.095 1.521 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.209 4.785 1.169 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.599 3.999 2.644 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.196 2.563 3.328 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.229 3.470 4.515 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.951 3.857 4.288 1.00 0.00 H new ATOM 1317 N SER B 82 -2.951 7.681 2.566 1.00 0.00 N ATOM 1318 CA SER B 82 -1.567 7.775 2.155 1.00 0.00 C ATOM 1319 C SER B 82 -0.664 7.233 3.261 1.00 0.00 C ATOM 1320 O SER B 82 -1.000 7.318 4.446 1.00 0.00 O ATOM 1321 CB SER B 82 -1.232 9.228 1.823 1.00 0.00 C ATOM 1322 OG SER B 82 0.127 9.382 1.474 1.00 0.00 O ATOM 0 H SER B 82 -3.137 8.065 3.493 1.00 0.00 H new ATOM 0 HA SER B 82 -1.402 7.174 1.261 1.00 0.00 H new ATOM 0 HB2 SER B 82 -1.860 9.568 1.000 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.462 9.860 2.681 1.00 0.00 H new ATOM 0 HG SER B 82 0.307 10.323 1.266 1.00 0.00 H new ATOM 1328 N ILE B 83 0.471 6.664 2.877 1.00 0.00 N ATOM 1329 CA ILE B 83 1.356 6.001 3.824 1.00 0.00 C ATOM 1330 C ILE B 83 2.673 6.764 3.974 1.00 0.00 C ATOM 1331 O ILE B 83 3.525 6.735 3.086 1.00 0.00 O ATOM 1332 CB ILE B 83 1.654 4.552 3.378 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.350 3.760 3.201 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.570 3.858 4.376 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.504 3.690 4.450 1.00 0.00 C ATOM 0 H ILE B 83 0.801 6.649 1.912 1.00 0.00 H new ATOM 0 HA ILE B 83 0.845 5.982 4.787 1.00 0.00 H new ATOM 0 HB ILE B 83 2.165 4.591 2.416 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.233 4.215 2.400 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.593 2.746 2.883 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.767 2.839 4.042 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.511 4.404 4.447 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.090 3.833 5.354 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.406 3.114 4.242 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.059 3.207 5.249 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.780 4.698 4.759 1.00 0.00 H new ATOM 1347 N PRO B 84 2.854 7.465 5.100 1.00 0.00 N ATOM 1348 CA PRO B 84 4.090 8.189 5.379 1.00 0.00 C ATOM 1349 C PRO B 84 5.204 7.270 5.873 1.00 0.00 C ATOM 1350 O PRO B 84 4.977 6.387 6.704 1.00 0.00 O ATOM 1351 CB PRO B 84 3.681 9.175 6.470 1.00 0.00 C ATOM 1352 CG PRO B 84 2.550 8.513 7.184 1.00 0.00 C ATOM 1353 CD PRO B 84 1.865 7.616 6.184 1.00 0.00 C ATOM 0 HA PRO B 84 4.496 8.665 4.486 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.510 9.380 7.148 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.374 10.130 6.044 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.915 7.936 8.034 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.855 9.255 7.577 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.606 6.653 6.624 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.939 8.060 5.819 1.00 0.00 H new ATOM 1361 N LEU B 85 6.405 7.480 5.360 1.00 0.00 N ATOM 1362 CA LEU B 85 7.553 6.660 5.733 1.00 0.00 C ATOM 1363 C LEU B 85 8.425 7.399 6.739 1.00 0.00 C ATOM 1364 O LEU B 85 8.388 8.628 6.814 1.00 0.00 O ATOM 1365 CB LEU B 85 8.386 6.289 4.493 1.00 0.00 C ATOM 1366 CG LEU B 85 7.720 5.337 3.491 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.043 4.176 4.208 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.733 6.079 2.606 1.00 0.00 C ATOM 0 H LEU B 85 6.614 8.213 4.682 1.00 0.00 H new ATOM 0 HA LEU B 85 7.181 5.743 6.189 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.650 7.208 3.970 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.318 5.835 4.829 1.00 0.00 H new ATOM 0 HG LEU B 85 8.501 4.927 2.851 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.579 3.516 3.475 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.785 3.618 4.779 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.280 4.561 4.884 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.276 5.380 1.905 1.00 0.00 H new ATOM 0 HD22 LEU B 85 5.958 6.532 3.225 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.256 6.858 2.052 1.00 0.00 H new ATOM 1380 N PRO B 86 9.209 6.659 7.543 1.00 0.00 N ATOM 1381 CA PRO B 86 10.145 7.261 8.492 1.00 0.00 C ATOM 1382 C PRO B 86 11.246 8.031 7.777 1.00 0.00 C ATOM 1383 O PRO B 86 11.764 7.585 6.753 1.00 0.00 O ATOM 1384 CB PRO B 86 10.731 6.065 9.244 1.00 0.00 C ATOM 1385 CG PRO B 86 10.513 4.902 8.342 1.00 0.00 C ATOM 1386 CD PRO B 86 9.243 5.187 7.595 1.00 0.00 C ATOM 0 HA PRO B 86 9.656 7.981 9.149 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.791 6.210 9.452 1.00 0.00 H new ATOM 0 HB3 PRO B 86 10.234 5.920 10.203 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.350 4.779 7.655 1.00 0.00 H new ATOM 0 HG3 PRO B 86 10.431 3.977 8.912 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.255 4.749 6.597 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.372 4.782 8.111 1.00 0.00 H new ATOM 1394 N ARG B 87 11.622 9.168 8.338 1.00 0.00 N ATOM 1395 CA ARG B 87 12.581 10.060 7.693 1.00 0.00 C ATOM 1396 C ARG B 87 14.006 9.569 7.910 1.00 0.00 C ATOM 1397 O ARG B 87 14.967 10.202 7.476 1.00 0.00 O ATOM 1398 CB ARG B 87 12.439 11.498 8.210 1.00 0.00 C ATOM 1399 CG ARG B 87 11.119 12.171 7.851 1.00 0.00 C ATOM 1400 CD ARG B 87 9.965 11.617 8.666 1.00 0.00 C ATOM 1401 NE ARG B 87 8.679 12.190 8.284 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.505 11.694 8.671 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.460 10.615 9.445 1.00 0.00 N ATOM 1404 NH2 ARG B 87 6.380 12.278 8.288 1.00 0.00 N ATOM 0 H ARG B 87 11.279 9.499 9.240 1.00 0.00 H new ATOM 0 HA ARG B 87 12.365 10.056 6.625 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.547 11.493 9.295 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.258 12.097 7.811 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.201 13.245 8.019 1.00 0.00 H new ATOM 0 HG3 ARG B 87 10.916 12.029 6.790 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.926 10.535 8.544 1.00 0.00 H new ATOM 0 HD3 ARG B 87 10.145 11.812 9.723 1.00 0.00 H new ATOM 0 HE ARG B 87 8.679 13.017 7.687 1.00 0.00 H new ATOM 0 HH11 ARG B 87 8.325 10.165 9.744 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.560 10.236 9.740 1.00 0.00 H new ATOM 0 HH21 ARG B 87 6.412 13.108 7.696 1.00 0.00 H new ATOM 0 HH22 ARG B 87 5.481 11.898 8.585 1.00 0.00 H new ATOM 1418 N ASP B 88 14.133 8.438 8.588 1.00 0.00 N ATOM 1419 CA ASP B 88 15.437 7.843 8.838 1.00 0.00 C ATOM 1420 C ASP B 88 15.836 6.956 7.669 1.00 0.00 C ATOM 1421 O ASP B 88 17.016 6.670 7.456 1.00 0.00 O ATOM 1422 CB ASP B 88 15.407 7.022 10.132 1.00 0.00 C ATOM 1423 CG ASP B 88 16.769 6.473 10.506 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.579 7.231 11.084 1.00 0.00 O ATOM 1425 OD2 ASP B 88 17.033 5.282 10.237 1.00 0.00 O ATOM 0 H ASP B 88 13.348 7.914 8.975 1.00 0.00 H new ATOM 0 HA ASP B 88 16.171 8.641 8.946 1.00 0.00 H new ATOM 0 HB2 ASP B 88 15.035 7.646 10.945 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.705 6.196 10.017 1.00 0.00 H new ATOM 1430 N ILE B 89 14.842 6.550 6.896 1.00 0.00 N ATOM 1431 CA ILE B 89 15.046 5.611 5.812 1.00 0.00 C ATOM 1432 C ILE B 89 15.029 6.329 4.472 1.00 0.00 C ATOM 1433 O ILE B 89 14.175 7.180 4.219 1.00 0.00 O ATOM 1434 CB ILE B 89 13.960 4.512 5.827 1.00 0.00 C ATOM 1435 CG1 ILE B 89 14.004 3.757 7.159 1.00 0.00 C ATOM 1436 CG2 ILE B 89 14.135 3.550 4.658 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.972 2.658 7.274 1.00 0.00 C ATOM 0 H ILE B 89 13.877 6.862 7.004 1.00 0.00 H new ATOM 0 HA ILE B 89 16.021 5.144 5.953 1.00 0.00 H new ATOM 0 HB ILE B 89 12.985 4.988 5.720 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.996 3.325 7.288 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.857 4.467 7.973 1.00 0.00 H new ATOM 0 HG21 ILE B 89 13.357 2.788 4.695 1.00 0.00 H new ATOM 0 HG22 ILE B 89 14.060 4.100 3.720 1.00 0.00 H new ATOM 0 HG23 ILE B 89 15.113 3.073 4.722 1.00 0.00 H new ATOM 0 HD11 ILE B 89 13.066 2.170 8.244 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.974 3.085 7.178 1.00 0.00 H new ATOM 0 HD13 ILE B 89 13.131 1.925 6.483 1.00 0.00 H new ATOM 1449 N VAL B 90 15.986 5.996 3.627 1.00 0.00 N ATOM 1450 CA VAL B 90 16.049 6.557 2.293 1.00 0.00 C ATOM 1451 C VAL B 90 15.148 5.763 1.360 1.00 0.00 C ATOM 1452 O VAL B 90 15.426 4.607 1.039 1.00 0.00 O ATOM 1453 CB VAL B 90 17.488 6.561 1.738 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.517 7.153 0.339 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.418 7.327 2.667 1.00 0.00 C ATOM 0 H VAL B 90 16.733 5.336 3.843 1.00 0.00 H new ATOM 0 HA VAL B 90 15.710 7.591 2.353 1.00 0.00 H new ATOM 0 HB VAL B 90 17.838 5.530 1.680 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.540 7.148 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL B 90 16.885 6.559 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.147 8.178 0.370 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.428 7.319 2.258 1.00 0.00 H new ATOM 0 HG22 VAL B 90 18.073 8.357 2.760 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.420 6.855 3.650 1.00 0.00 H new ATOM 1465 N VAL B 91 14.061 6.382 0.940 1.00 0.00 N ATOM 1466 CA VAL B 91 13.070 5.704 0.125 1.00 0.00 C ATOM 1467 C VAL B 91 13.056 6.277 -1.282 1.00 0.00 C ATOM 1468 O VAL B 91 13.064 7.489 -1.475 1.00 0.00 O ATOM 1469 CB VAL B 91 11.661 5.818 0.747 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.646 5.031 -0.062 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.671 5.353 2.197 1.00 0.00 C ATOM 0 H VAL B 91 13.841 7.356 1.150 1.00 0.00 H new ATOM 0 HA VAL B 91 13.344 4.650 0.081 1.00 0.00 H new ATOM 0 HB VAL B 91 11.368 6.868 0.728 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.662 5.127 0.397 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.612 5.420 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL B 91 10.935 3.980 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.668 5.442 2.615 1.00 0.00 H new ATOM 0 HG22 VAL B 91 11.992 4.312 2.243 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.360 5.971 2.773 1.00 0.00 H new ATOM 1481 N ASN B 92 13.070 5.384 -2.254 1.00 0.00 N ATOM 1482 CA ASN B 92 13.033 5.760 -3.658 1.00 0.00 C ATOM 1483 C ASN B 92 12.169 4.779 -4.430 1.00 0.00 C ATOM 1484 O ASN B 92 11.937 3.660 -3.977 1.00 0.00 O ATOM 1485 CB ASN B 92 14.441 5.791 -4.257 1.00 0.00 C ATOM 1486 CG ASN B 92 15.460 5.034 -3.433 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.234 5.627 -2.684 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.431 3.717 -3.525 1.00 0.00 N ATOM 0 H ASN B 92 13.107 4.377 -2.094 1.00 0.00 H new ATOM 0 HA ASN B 92 12.607 6.761 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.410 5.368 -5.261 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.763 6.828 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.067 3.152 -2.962 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.773 3.264 -4.159 1.00 0.00 H new ATOM 1495 N ALA B 93 11.728 5.196 -5.613 1.00 0.00 N ATOM 1496 CA ALA B 93 10.822 4.398 -6.440 1.00 0.00 C ATOM 1497 C ALA B 93 11.465 3.090 -6.878 1.00 0.00 C ATOM 1498 O ALA B 93 10.780 2.152 -7.280 1.00 0.00 O ATOM 1499 CB ALA B 93 10.391 5.198 -7.657 1.00 0.00 C ATOM 0 H ALA B 93 11.986 6.092 -6.026 1.00 0.00 H new ATOM 0 HA ALA B 93 9.948 4.153 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.717 4.597 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.878 6.104 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.269 5.468 -8.244 1.00 0.00 H new ATOM 1505 N ALA B 94 12.782 3.034 -6.788 1.00 0.00 N ATOM 1506 CA ALA B 94 13.532 1.844 -7.170 1.00 0.00 C ATOM 1507 C ALA B 94 13.586 0.845 -6.020 1.00 0.00 C ATOM 1508 O ALA B 94 13.971 -0.311 -6.197 1.00 0.00 O ATOM 1509 CB ALA B 94 14.937 2.231 -7.598 1.00 0.00 C ATOM 0 H ALA B 94 13.361 3.804 -6.451 1.00 0.00 H new ATOM 0 HA ALA B 94 13.023 1.369 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.490 1.336 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.884 2.910 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.446 2.725 -6.771 1.00 0.00 H new ATOM 1515 N ASP B 95 13.196 1.304 -4.842 1.00 0.00 N ATOM 1516 CA ASP B 95 13.256 0.485 -3.636 1.00 0.00 C ATOM 1517 C ASP B 95 11.849 0.139 -3.168 1.00 0.00 C ATOM 1518 O ASP B 95 11.629 -0.854 -2.481 1.00 0.00 O ATOM 1519 CB ASP B 95 14.008 1.250 -2.548 1.00 0.00 C ATOM 1520 CG ASP B 95 14.502 0.368 -1.426 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.234 -0.606 -1.708 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.197 0.672 -0.258 1.00 0.00 O ATOM 0 H ASP B 95 12.832 2.245 -4.692 1.00 0.00 H new ATOM 0 HA ASP B 95 13.783 -0.445 -3.851 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.858 1.764 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.353 2.017 -2.135 1.00 0.00 H new ATOM 1527 N ILE B 96 10.903 0.977 -3.560 1.00 0.00 N ATOM 1528 CA ILE B 96 9.497 0.786 -3.239 1.00 0.00 C ATOM 1529 C ILE B 96 8.904 -0.381 -4.027 1.00 0.00 C ATOM 1530 O ILE B 96 8.792 -0.326 -5.254 1.00 0.00 O ATOM 1531 CB ILE B 96 8.717 2.073 -3.557 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.159 3.197 -2.630 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.215 1.853 -3.446 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.719 4.558 -3.106 1.00 0.00 C ATOM 0 H ILE B 96 11.090 1.814 -4.113 1.00 0.00 H new ATOM 0 HA ILE B 96 9.417 0.556 -2.177 1.00 0.00 H new ATOM 0 HB ILE B 96 8.937 2.355 -4.587 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.756 3.019 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.245 3.182 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.693 2.782 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.908 1.079 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.967 1.540 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.063 5.318 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.144 4.754 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.631 4.588 -3.168 1.00 0.00 H new ATOM 1546 N LYS B 97 8.536 -1.435 -3.316 1.00 0.00 N ATOM 1547 CA LYS B 97 7.955 -2.616 -3.937 1.00 0.00 C ATOM 1548 C LYS B 97 6.469 -2.716 -3.580 1.00 0.00 C ATOM 1549 O LYS B 97 6.120 -3.045 -2.447 1.00 0.00 O ATOM 1550 CB LYS B 97 8.698 -3.875 -3.471 1.00 0.00 C ATOM 1551 CG LYS B 97 10.219 -3.740 -3.468 1.00 0.00 C ATOM 1552 CD LYS B 97 10.766 -3.352 -4.842 1.00 0.00 C ATOM 1553 CE LYS B 97 10.499 -4.425 -5.889 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.015 -4.038 -7.230 1.00 0.00 N ATOM 0 H LYS B 97 8.630 -1.497 -2.302 1.00 0.00 H new ATOM 0 HA LYS B 97 8.053 -2.533 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.365 -4.128 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.420 -4.707 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.514 -2.989 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.665 -4.684 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.312 -2.414 -5.161 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.839 -3.177 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.966 -5.359 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.427 -4.610 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.812 -4.796 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.552 -3.160 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 12.043 -3.887 -7.176 1.00 0.00 H new ATOM 1568 N ILE B 98 5.601 -2.407 -4.543 1.00 0.00 N ATOM 1569 CA ILE B 98 4.157 -2.403 -4.306 1.00 0.00 C ATOM 1570 C ILE B 98 3.462 -3.560 -5.028 1.00 0.00 C ATOM 1571 O ILE B 98 3.534 -3.681 -6.257 1.00 0.00 O ATOM 1572 CB ILE B 98 3.522 -1.073 -4.765 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.181 0.103 -4.048 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.022 -1.075 -4.512 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.608 1.446 -4.435 1.00 0.00 C ATOM 0 H ILE B 98 5.872 -2.156 -5.494 1.00 0.00 H new ATOM 0 HA ILE B 98 4.017 -2.522 -3.232 1.00 0.00 H new ATOM 0 HB ILE B 98 3.686 -0.966 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.073 -0.032 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.249 0.097 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.596 -0.128 -4.843 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.561 -1.893 -5.065 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.833 -1.205 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.124 2.234 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.740 1.603 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.546 1.472 -4.193 1.00 0.00 H new ATOM 1587 N PHE B 99 2.775 -4.396 -4.260 1.00 0.00 N ATOM 1588 CA PHE B 99 2.073 -5.548 -4.808 1.00 0.00 C ATOM 1589 C PHE B 99 0.628 -5.577 -4.323 1.00 0.00 C ATOM 1590 O PHE B 99 0.368 -5.673 -3.124 1.00 0.00 O ATOM 1591 CB PHE B 99 2.759 -6.851 -4.389 1.00 0.00 C ATOM 1592 CG PHE B 99 4.181 -6.998 -4.860 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.222 -6.461 -4.125 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.477 -7.687 -6.027 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.525 -6.603 -4.547 1.00 0.00 C ATOM 1596 CE2 PHE B 99 5.780 -7.829 -6.454 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.806 -7.287 -5.713 1.00 0.00 C ATOM 0 H PHE B 99 2.689 -4.296 -3.249 1.00 0.00 H new ATOM 0 HA PHE B 99 2.093 -5.459 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.743 -6.920 -3.301 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.177 -7.690 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.011 -5.925 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.676 -8.118 -6.609 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.329 -6.178 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE B 99 5.995 -8.364 -7.367 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.828 -7.397 -6.043 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.308 -5.493 -5.251 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.721 -5.613 -4.914 1.00 0.00 C ATOM 1609 C HIS B 100 -2.206 -7.020 -5.217 1.00 0.00 C ATOM 1610 O HIS B 100 -2.382 -7.395 -6.373 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.568 -4.590 -5.686 1.00 0.00 C ATOM 1612 CG HIS B 100 -4.042 -4.682 -5.396 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.999 -4.877 -6.373 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.722 -4.597 -4.226 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.194 -4.906 -5.817 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -6.054 -4.741 -4.516 1.00 0.00 N ATOM 0 H HIS B 100 -0.119 -5.343 -6.242 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.834 -5.410 -3.849 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.221 -3.586 -5.442 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.408 -4.732 -6.755 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.810 -4.982 -7.370 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.293 -4.444 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.130 -5.042 -6.339 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.423 -7.793 -4.174 1.00 0.00 N ATOM 1626 CA ILE B 101 -2.938 -9.136 -4.328 1.00 0.00 C ATOM 1627 C ILE B 101 -4.452 -9.102 -4.357 1.00 0.00 C ATOM 1628 O ILE B 101 -5.091 -8.728 -3.376 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.454 -10.055 -3.193 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -0.950 -10.267 -3.307 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.187 -11.390 -3.215 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.389 -11.115 -2.199 1.00 0.00 C ATOM 0 H ILE B 101 -2.250 -7.513 -3.208 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.563 -9.539 -5.269 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.675 -9.573 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.727 -10.737 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.451 -9.298 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -2.824 -12.018 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.257 -11.220 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.006 -11.889 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.686 -11.229 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.583 -10.635 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.863 -12.096 -2.216 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.022 -9.478 -5.488 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.467 -9.467 -5.645 1.00 0.00 C ATOM 1646 C ARG B 102 -7.085 -10.664 -4.943 1.00 0.00 C ATOM 1647 O ARG B 102 -8.270 -10.666 -4.629 1.00 0.00 O ATOM 1648 CB ARG B 102 -6.849 -9.464 -7.123 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.298 -8.274 -7.888 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.900 -8.180 -9.278 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.353 -8.032 -9.228 1.00 0.00 N ATOM 1652 CZ ARG B 102 -9.011 -6.954 -9.656 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.348 -5.896 -10.106 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -10.336 -6.925 -9.600 1.00 0.00 N ATOM 0 H ARG B 102 -4.508 -9.794 -6.310 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.854 -8.556 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -6.487 -10.382 -7.586 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -7.936 -9.470 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -6.507 -7.357 -7.337 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -5.214 -8.360 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.466 -7.331 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.644 -9.074 -9.847 1.00 0.00 H new ATOM 0 HE ARG B 102 -8.898 -8.802 -8.841 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.328 -5.904 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.858 -5.075 -10.432 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.848 -7.726 -9.230 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.842 -6.102 -9.927 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.255 -11.667 -4.687 1.00 0.00 N ATOM 1669 CA LYS B 103 -6.678 -12.872 -3.986 1.00 0.00 C ATOM 1670 C LYS B 103 -7.251 -12.527 -2.614 1.00 0.00 C ATOM 1671 O LYS B 103 -8.335 -12.973 -2.247 1.00 0.00 O ATOM 1672 CB LYS B 103 -5.478 -13.798 -3.813 1.00 0.00 C ATOM 1673 CG LYS B 103 -5.822 -15.178 -3.297 1.00 0.00 C ATOM 1674 CD LYS B 103 -4.566 -15.944 -2.924 1.00 0.00 C ATOM 1675 CE LYS B 103 -4.803 -17.438 -2.957 1.00 0.00 C ATOM 1676 NZ LYS B 103 -5.144 -17.905 -4.326 1.00 0.00 N ATOM 0 H LYS B 103 -5.272 -11.668 -4.959 1.00 0.00 H new ATOM 0 HA LYS B 103 -7.453 -13.365 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -4.971 -13.898 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -4.771 -13.332 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -6.473 -15.094 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -6.376 -15.728 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -3.762 -15.686 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -4.239 -15.647 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -3.911 -17.957 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.611 -17.695 -2.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -5.250 -18.940 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -6.036 -17.466 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -4.384 -17.637 -4.984 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.519 -11.707 -1.873 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.934 -11.307 -0.538 1.00 0.00 C ATOM 1692 C GLU B 104 -7.408 -9.868 -0.533 1.00 0.00 C ATOM 1693 O GLU B 104 -7.797 -9.333 0.506 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.777 -11.459 0.451 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.348 -12.893 0.677 1.00 0.00 C ATOM 1696 CD GLU B 104 -6.445 -13.730 1.297 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -6.851 -13.436 2.443 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.909 -14.687 0.648 1.00 0.00 O ATOM 0 H GLU B 104 -5.632 -11.305 -2.176 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.756 -11.956 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.923 -10.888 0.087 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -6.069 -11.022 1.406 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -5.050 -13.335 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.471 -12.910 1.325 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.368 -9.248 -1.710 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.643 -7.823 -1.853 1.00 0.00 C ATOM 1707 C ARG B 105 -6.745 -7.026 -0.913 1.00 0.00 C ATOM 1708 O ARG B 105 -7.172 -6.052 -0.294 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.122 -7.509 -1.588 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.061 -7.980 -2.692 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.346 -9.474 -2.619 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.106 -9.835 -1.423 1.00 0.00 N ATOM 1713 CZ ARG B 105 -11.634 -11.039 -1.210 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -11.490 -12.001 -2.114 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -12.316 -11.280 -0.096 1.00 0.00 N ATOM 0 H ARG B 105 -7.145 -9.718 -2.587 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.427 -7.533 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.419 -7.975 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.238 -6.433 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -11.000 -7.431 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -9.623 -7.744 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -10.901 -9.780 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -9.404 -10.022 -2.628 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.240 -9.120 -0.708 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -10.974 -11.819 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -11.896 -12.922 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -12.436 -10.542 0.598 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -12.720 -12.203 0.065 1.00 0.00 H new ATOM 1729 N THR B 106 -5.490 -7.447 -0.816 1.00 0.00 N ATOM 1730 CA THR B 106 -4.567 -6.858 0.131 1.00 0.00 C ATOM 1731 C THR B 106 -3.371 -6.245 -0.588 1.00 0.00 C ATOM 1732 O THR B 106 -2.842 -6.823 -1.540 1.00 0.00 O ATOM 1733 CB THR B 106 -4.093 -7.913 1.148 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.227 -8.518 1.784 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.192 -7.295 2.203 1.00 0.00 C ATOM 0 H THR B 106 -5.093 -8.195 -1.384 1.00 0.00 H new ATOM 0 HA THR B 106 -5.090 -6.065 0.666 1.00 0.00 H new ATOM 0 HB THR B 106 -3.523 -8.669 0.609 1.00 0.00 H new ATOM 0 HG1 THR B 106 -4.921 -9.190 2.429 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.874 -8.065 2.906 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.316 -6.858 1.723 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.738 -6.518 2.738 1.00 0.00 H new ATOM 1743 N LEU B 107 -2.973 -5.064 -0.147 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.842 -4.368 -0.734 1.00 0.00 C ATOM 1745 C LEU B 107 -0.608 -4.522 0.146 1.00 0.00 C ATOM 1746 O LEU B 107 -0.615 -4.125 1.313 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.166 -2.882 -0.914 1.00 0.00 C ATOM 1748 CG LEU B 107 -2.150 -2.370 -2.356 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.548 -0.905 -2.398 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.779 -2.556 -2.981 1.00 0.00 C ATOM 0 H LEU B 107 -3.421 -4.564 0.621 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.638 -4.808 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.152 -2.690 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -1.451 -2.300 -0.333 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.871 -2.951 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -2.533 -0.553 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.552 -0.789 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.845 -0.320 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.793 -2.185 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -0.038 -2.002 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.520 -3.615 -2.982 1.00 0.00 H new ATOM 1762 N TYR B 108 0.433 -5.115 -0.412 1.00 0.00 N ATOM 1763 CA TYR B 108 1.690 -5.292 0.298 1.00 0.00 C ATOM 1764 C TYR B 108 2.713 -4.259 -0.152 1.00 0.00 C ATOM 1765 O TYR B 108 3.019 -4.148 -1.342 1.00 0.00 O ATOM 1766 CB TYR B 108 2.241 -6.699 0.064 1.00 0.00 C ATOM 1767 CG TYR B 108 1.353 -7.796 0.601 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.144 -8.094 -0.010 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.722 -8.532 1.717 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.671 -9.092 0.472 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.910 -9.535 2.207 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.288 -9.811 1.583 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.099 -10.816 2.061 1.00 0.00 O ATOM 0 H TYR B 108 0.433 -5.485 -1.362 1.00 0.00 H new ATOM 0 HA TYR B 108 1.499 -5.156 1.362 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.384 -6.850 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.223 -6.777 0.531 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.163 -7.532 -0.880 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.659 -8.317 2.210 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.608 -9.311 -0.019 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.212 -10.101 3.076 1.00 0.00 H new ATOM 0 HH TYR B 108 -0.683 -11.225 2.849 1.00 0.00 H new ATOM 1783 N ILE B 109 3.220 -3.495 0.803 1.00 0.00 N ATOM 1784 CA ILE B 109 4.235 -2.490 0.531 1.00 0.00 C ATOM 1785 C ILE B 109 5.549 -2.885 1.195 1.00 0.00 C ATOM 1786 O ILE B 109 5.607 -3.039 2.417 1.00 0.00 O ATOM 1787 CB ILE B 109 3.806 -1.107 1.070 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.400 -0.736 0.577 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.813 -0.031 0.679 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.274 -0.655 -0.928 1.00 0.00 C ATOM 0 H ILE B 109 2.941 -3.553 1.782 1.00 0.00 H new ATOM 0 HA ILE B 109 4.361 -2.429 -0.550 1.00 0.00 H new ATOM 0 HB ILE B 109 3.780 -1.168 2.158 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.689 -1.473 0.951 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.118 0.225 1.007 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.487 0.932 1.071 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.790 -0.279 1.093 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.883 0.024 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.251 -0.388 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.958 0.103 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.522 -1.622 -1.366 1.00 0.00 H new ATOM 1802 N TYR B 110 6.591 -3.068 0.400 1.00 0.00 N ATOM 1803 CA TYR B 110 7.908 -3.379 0.934 1.00 0.00 C ATOM 1804 C TYR B 110 8.897 -2.291 0.549 1.00 0.00 C ATOM 1805 O TYR B 110 8.997 -1.920 -0.622 1.00 0.00 O ATOM 1806 CB TYR B 110 8.405 -4.731 0.417 1.00 0.00 C ATOM 1807 CG TYR B 110 7.521 -5.899 0.791 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.446 -6.259 -0.007 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.767 -6.646 1.935 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.640 -7.329 0.325 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.967 -7.717 2.274 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.905 -8.054 1.467 1.00 0.00 C ATOM 1813 OH TYR B 110 5.107 -9.123 1.797 1.00 0.00 O ATOM 0 H TYR B 110 6.551 -3.007 -0.617 1.00 0.00 H new ATOM 0 HA TYR B 110 7.829 -3.431 2.020 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.487 -4.685 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.408 -4.910 0.805 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.236 -5.693 -0.903 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.600 -6.384 2.571 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.806 -7.597 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.173 -8.288 3.168 1.00 0.00 H new ATOM 0 HH TYR B 110 5.207 -9.324 2.751 1.00 0.00 H new ATOM 1823 N ILE B 111 9.609 -1.775 1.535 1.00 0.00 N ATOM 1824 CA ILE B 111 10.604 -0.741 1.302 1.00 0.00 C ATOM 1825 C ILE B 111 11.852 -1.050 2.115 1.00 0.00 C ATOM 1826 O ILE B 111 11.905 -0.668 3.297 1.00 0.00 O ATOM 1827 CB ILE B 111 10.077 0.668 1.672 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.789 0.978 0.899 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.136 1.727 1.380 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.167 2.311 1.249 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.763 -1.714 1.579 1.00 0.00 O ATOM 0 H ILE B 111 9.516 -2.057 2.511 1.00 0.00 H new ATOM 0 HA ILE B 111 10.837 -0.735 0.237 1.00 0.00 H new ATOM 0 HB ILE B 111 9.855 0.683 2.739 1.00 0.00 H new ATOM 0 HG12 ILE B 111 9.005 0.959 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE B 111 8.063 0.188 1.092 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.750 2.711 1.646 1.00 0.00 H new ATOM 0 HG22 ILE B 111 12.031 1.518 1.966 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.385 1.709 0.319 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.261 2.456 0.660 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.917 2.329 2.310 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.874 3.111 1.029 1.00 0.00 H new