USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 842 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: A 74 GLN : amide:sc= 0.0391 K(o=1.5,f=0.88) USER MOD Set 1.2: A 109 THR OG1 : rot 75:sc= 1.49 USER MOD Single : A 9 MET CE :methyl -161:sc= -0.615 (180deg=-1.22) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.781 USER MOD Single : A 12 GLN : amide:sc= -0.0855 K(o=-0.085,f=-0.65) USER MOD Single : A 13 MET CE :methyl 151:sc= -1.28 (180deg=-1.86!) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 1.37 (180deg=0.691) USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 1.13 K(o=1.1,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= 1.13 (180deg=-1.93) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= -0.0198 (180deg=-0.175) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 0.162 K(o=0.16,f=-0.84) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= 0.762 (180deg=-1.43!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 1.1 K(o=1.1,f=-0.087) USER MOD Single : A 88 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.51) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= -0.0238 (180deg=-0.147) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 170:sc= 0.493 (180deg=0.329) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -1.362 10.598 -10.032 1.00 0.00 N ATOM 82 CA LEU A 6 -0.688 10.293 -8.781 1.00 0.00 C ATOM 83 C LEU A 6 -1.655 9.645 -7.798 1.00 0.00 C ATOM 84 O LEU A 6 -1.256 8.832 -6.963 1.00 0.00 O ATOM 85 CB LEU A 6 -0.093 11.571 -8.180 1.00 0.00 C ATOM 86 CG LEU A 6 0.770 11.375 -6.931 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.959 10.475 -7.238 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.241 12.718 -6.394 1.00 0.00 C ATOM 0 HA LEU A 6 0.120 9.589 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.510 12.063 -8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.910 12.249 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 6 0.163 10.891 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.561 10.347 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.601 9.502 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.567 10.930 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.853 12.560 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.831 13.228 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.377 13.330 -6.135 1.00 0.00 H new ATOM 100 N LEU A 7 -2.933 9.996 -7.908 1.00 0.00 N ATOM 101 CA LEU A 7 -3.945 9.449 -7.015 1.00 0.00 C ATOM 102 C LEU A 7 -4.159 7.971 -7.268 1.00 0.00 C ATOM 103 O LEU A 7 -4.136 7.184 -6.339 1.00 0.00 O ATOM 104 CB LEU A 7 -5.286 10.171 -7.161 1.00 0.00 C ATOM 105 CG LEU A 7 -5.435 11.479 -6.389 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.005 11.304 -4.941 1.00 0.00 C ATOM 107 CD2 LEU A 7 -4.660 12.601 -7.061 1.00 0.00 C ATOM 0 H LEU A 7 -3.289 10.653 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.571 9.597 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.451 10.377 -8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.077 9.493 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.489 11.756 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.120 12.249 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.626 10.544 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.961 10.993 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.784 13.521 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.603 12.339 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.037 12.748 -8.073 1.00 0.00 H new ATOM 119 N GLU A 8 -4.337 7.613 -8.536 1.00 0.00 N ATOM 120 CA GLU A 8 -4.703 6.253 -8.935 1.00 0.00 C ATOM 121 C GLU A 8 -3.823 5.193 -8.271 1.00 0.00 C ATOM 122 O GLU A 8 -4.324 4.171 -7.801 1.00 0.00 O ATOM 123 CB GLU A 8 -4.618 6.135 -10.457 1.00 0.00 C ATOM 124 CG GLU A 8 -4.957 4.754 -10.977 1.00 0.00 C ATOM 125 CD GLU A 8 -4.829 4.648 -12.480 1.00 0.00 C ATOM 126 OE1 GLU A 8 -3.706 4.412 -12.970 1.00 0.00 O ATOM 127 OE2 GLU A 8 -5.853 4.796 -13.178 1.00 0.00 O ATOM 0 H GLU A 8 -4.232 8.257 -9.320 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.724 6.069 -8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.295 6.860 -10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.610 6.398 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.299 4.022 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.976 4.500 -10.685 1.00 0.00 H new ATOM 134 N MET A 9 -2.520 5.445 -8.214 1.00 0.00 N ATOM 135 CA MET A 9 -1.592 4.503 -7.595 1.00 0.00 C ATOM 136 C MET A 9 -1.896 4.345 -6.107 1.00 0.00 C ATOM 137 O MET A 9 -1.908 3.234 -5.580 1.00 0.00 O ATOM 138 CB MET A 9 -0.147 4.956 -7.792 1.00 0.00 C ATOM 139 CG MET A 9 0.274 5.033 -9.251 1.00 0.00 C ATOM 140 SD MET A 9 2.008 5.479 -9.458 1.00 0.00 S ATOM 141 CE MET A 9 2.060 7.036 -8.578 1.00 0.00 C ATOM 0 H MET A 9 -2.083 6.288 -8.586 1.00 0.00 H new ATOM 0 HA MET A 9 -1.721 3.536 -8.081 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.017 5.936 -7.333 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.515 4.267 -7.267 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.092 4.070 -9.728 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.348 5.765 -9.765 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.941 7.599 -8.886 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.163 7.613 -8.805 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.107 6.846 -7.506 1.00 0.00 H new ATOM 151 N THR A 10 -2.168 5.466 -5.447 1.00 0.00 N ATOM 152 CA THR A 10 -2.510 5.465 -4.031 1.00 0.00 C ATOM 153 C THR A 10 -3.884 4.826 -3.816 1.00 0.00 C ATOM 154 O THR A 10 -4.046 3.966 -2.952 1.00 0.00 O ATOM 155 CB THR A 10 -2.508 6.900 -3.466 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.297 7.573 -3.849 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.615 6.884 -1.948 1.00 0.00 C ATOM 0 H THR A 10 -2.158 6.392 -5.874 1.00 0.00 H new ATOM 0 HA THR A 10 -1.757 4.881 -3.502 1.00 0.00 H new ATOM 0 HB THR A 10 -3.370 7.429 -3.874 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.301 8.484 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.612 7.907 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.542 6.392 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.768 6.341 -1.529 1.00 0.00 H new ATOM 165 N GLU A 11 -4.858 5.244 -4.623 1.00 0.00 N ATOM 166 CA GLU A 11 -6.201 4.673 -4.595 1.00 0.00 C ATOM 167 C GLU A 11 -6.141 3.150 -4.714 1.00 0.00 C ATOM 168 O GLU A 11 -6.815 2.425 -3.978 1.00 0.00 O ATOM 169 CB GLU A 11 -7.031 5.242 -5.753 1.00 0.00 C ATOM 170 CG GLU A 11 -7.148 6.760 -5.753 1.00 0.00 C ATOM 171 CD GLU A 11 -7.746 7.319 -4.479 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.991 7.358 -4.365 1.00 0.00 O ATOM 173 OE2 GLU A 11 -6.979 7.755 -3.598 1.00 0.00 O ATOM 0 H GLU A 11 -4.738 5.986 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.668 4.934 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.585 4.924 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.032 4.812 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.159 7.193 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.761 7.069 -6.599 1.00 0.00 H new ATOM 180 N GLN A 12 -5.315 2.680 -5.642 1.00 0.00 N ATOM 181 CA GLN A 12 -5.108 1.255 -5.855 1.00 0.00 C ATOM 182 C GLN A 12 -4.558 0.593 -4.597 1.00 0.00 C ATOM 183 O GLN A 12 -5.086 -0.423 -4.141 1.00 0.00 O ATOM 184 CB GLN A 12 -4.151 1.036 -7.030 1.00 0.00 C ATOM 185 CG GLN A 12 -3.873 -0.426 -7.335 1.00 0.00 C ATOM 186 CD GLN A 12 -5.127 -1.203 -7.678 1.00 0.00 C ATOM 187 OE1 GLN A 12 -6.088 -0.658 -8.219 1.00 0.00 O ATOM 188 NE2 GLN A 12 -5.123 -2.487 -7.369 1.00 0.00 N ATOM 0 H GLN A 12 -4.771 3.276 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.069 0.797 -6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.569 1.509 -7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.207 1.538 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.171 -0.492 -8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.390 -0.887 -6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.306 -2.901 -6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.937 -3.065 -7.579 1.00 0.00 H new ATOM 197 N MET A 13 -3.512 1.185 -4.028 1.00 0.00 N ATOM 198 CA MET A 13 -2.875 0.642 -2.834 1.00 0.00 C ATOM 199 C MET A 13 -3.849 0.587 -1.666 1.00 0.00 C ATOM 200 O MET A 13 -3.841 -0.370 -0.895 1.00 0.00 O ATOM 201 CB MET A 13 -1.647 1.465 -2.449 1.00 0.00 C ATOM 202 CG MET A 13 -0.486 1.299 -3.406 1.00 0.00 C ATOM 203 SD MET A 13 0.975 2.218 -2.893 1.00 0.00 S ATOM 204 CE MET A 13 2.111 1.772 -4.200 1.00 0.00 C ATOM 0 H MET A 13 -3.087 2.044 -4.377 1.00 0.00 H new ATOM 0 HA MET A 13 -2.558 -0.374 -3.067 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.924 2.518 -2.405 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.326 1.178 -1.448 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.235 0.241 -3.486 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.789 1.631 -4.399 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.826 2.580 -4.352 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.645 0.863 -3.924 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.556 1.601 -5.122 1.00 0.00 H new ATOM 214 N ILE A 14 -4.692 1.605 -1.549 1.00 0.00 N ATOM 215 CA ILE A 14 -5.688 1.649 -0.485 1.00 0.00 C ATOM 216 C ILE A 14 -6.652 0.473 -0.604 1.00 0.00 C ATOM 217 O ILE A 14 -6.900 -0.241 0.369 1.00 0.00 O ATOM 218 CB ILE A 14 -6.485 2.975 -0.505 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.550 4.159 -0.246 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.612 2.944 0.522 1.00 0.00 C ATOM 221 CD1 ILE A 14 -6.232 5.507 -0.344 1.00 0.00 C ATOM 0 H ILE A 14 -4.707 2.410 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.152 1.585 0.462 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.931 3.095 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.113 4.055 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.728 4.125 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.159 3.886 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.291 2.123 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.193 2.801 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.507 6.297 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.645 5.634 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.036 5.562 0.390 1.00 0.00 H new ATOM 233 N GLU A 15 -7.171 0.267 -1.809 1.00 0.00 N ATOM 234 CA GLU A 15 -8.116 -0.811 -2.069 1.00 0.00 C ATOM 235 C GLU A 15 -7.479 -2.172 -1.780 1.00 0.00 C ATOM 236 O GLU A 15 -8.084 -3.021 -1.122 1.00 0.00 O ATOM 237 CB GLU A 15 -8.593 -0.751 -3.519 1.00 0.00 C ATOM 238 CG GLU A 15 -9.848 -1.567 -3.775 1.00 0.00 C ATOM 239 CD GLU A 15 -11.067 -0.999 -3.078 1.00 0.00 C ATOM 240 OE1 GLU A 15 -11.144 -1.092 -1.837 1.00 0.00 O ATOM 241 OE2 GLU A 15 -11.954 -0.455 -3.768 1.00 0.00 O ATOM 0 H GLU A 15 -6.951 0.837 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.973 -0.686 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.783 0.288 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.796 -1.109 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.035 -1.611 -4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.686 -2.591 -3.438 1.00 0.00 H new ATOM 248 N VAL A 16 -6.253 -2.364 -2.263 1.00 0.00 N ATOM 249 CA VAL A 16 -5.527 -3.613 -2.042 1.00 0.00 C ATOM 250 C VAL A 16 -5.295 -3.845 -0.553 1.00 0.00 C ATOM 251 O VAL A 16 -5.575 -4.924 -0.035 1.00 0.00 O ATOM 252 CB VAL A 16 -4.168 -3.625 -2.780 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.405 -4.909 -2.488 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.373 -3.464 -4.278 1.00 0.00 C ATOM 0 H VAL A 16 -5.742 -1.671 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.144 -4.416 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.578 -2.784 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.453 -4.895 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.223 -4.988 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.992 -5.765 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.406 -3.475 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.985 -4.285 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.875 -2.517 -4.477 1.00 0.00 H new ATOM 264 N ALA A 17 -4.810 -2.818 0.133 1.00 0.00 N ATOM 265 CA ALA A 17 -4.532 -2.909 1.558 1.00 0.00 C ATOM 266 C ALA A 17 -5.800 -3.228 2.347 1.00 0.00 C ATOM 267 O ALA A 17 -5.796 -4.100 3.218 1.00 0.00 O ATOM 268 CB ALA A 17 -3.903 -1.617 2.054 1.00 0.00 C ATOM 0 H ALA A 17 -4.601 -1.908 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.827 -3.725 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.700 -1.698 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.970 -1.438 1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.588 -0.788 1.877 1.00 0.00 H new ATOM 274 N GLU A 18 -6.886 -2.536 2.021 1.00 0.00 N ATOM 275 CA GLU A 18 -8.165 -2.779 2.659 1.00 0.00 C ATOM 276 C GLU A 18 -8.646 -4.204 2.415 1.00 0.00 C ATOM 277 O GLU A 18 -8.993 -4.917 3.353 1.00 0.00 O ATOM 278 CB GLU A 18 -9.208 -1.797 2.139 1.00 0.00 C ATOM 279 CG GLU A 18 -9.242 -0.477 2.886 1.00 0.00 C ATOM 280 CD GLU A 18 -10.481 0.330 2.561 1.00 0.00 C ATOM 281 OE1 GLU A 18 -11.346 -0.177 1.810 1.00 0.00 O ATOM 282 OE2 GLU A 18 -10.603 1.468 3.058 1.00 0.00 O ATOM 0 H GLU A 18 -6.901 -1.800 1.315 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.031 -2.639 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.013 -1.601 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.192 -2.262 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.205 -0.667 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.355 0.104 2.634 1.00 0.00 H new ATOM 289 N LYS A 19 -8.655 -4.614 1.152 1.00 0.00 N ATOM 290 CA LYS A 19 -9.161 -5.932 0.777 1.00 0.00 C ATOM 291 C LYS A 19 -8.258 -7.041 1.307 1.00 0.00 C ATOM 292 O LYS A 19 -8.725 -8.142 1.588 1.00 0.00 O ATOM 293 CB LYS A 19 -9.316 -6.051 -0.742 1.00 0.00 C ATOM 294 CG LYS A 19 -10.737 -5.820 -1.258 1.00 0.00 C ATOM 295 CD LYS A 19 -11.168 -4.356 -1.228 1.00 0.00 C ATOM 296 CE LYS A 19 -11.537 -3.882 0.171 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.050 -2.487 0.169 1.00 0.00 N ATOM 0 H LYS A 19 -8.318 -4.054 0.369 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.145 -6.046 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.649 -5.333 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.989 -7.044 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.808 -6.190 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.432 -6.407 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.360 -3.735 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.022 -4.219 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.293 -4.546 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.662 -3.946 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.862 -2.047 1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.573 -1.943 -0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.075 -2.494 -0.009 1.00 0.00 H new ATOM 311 N GLY A 20 -6.974 -6.744 1.447 1.00 0.00 N ATOM 312 CA GLY A 20 -6.050 -7.705 2.014 1.00 0.00 C ATOM 313 C GLY A 20 -6.340 -7.975 3.476 1.00 0.00 C ATOM 314 O GLY A 20 -6.394 -9.129 3.906 1.00 0.00 O ATOM 0 H GLY A 20 -6.555 -5.854 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.109 -8.638 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.031 -7.334 1.909 1.00 0.00 H new ATOM 318 N ALA A 21 -6.542 -6.906 4.240 1.00 0.00 N ATOM 319 CA ALA A 21 -6.892 -7.027 5.650 1.00 0.00 C ATOM 320 C ALA A 21 -8.283 -7.631 5.801 1.00 0.00 C ATOM 321 O ALA A 21 -8.527 -8.445 6.689 1.00 0.00 O ATOM 322 CB ALA A 21 -6.826 -5.669 6.331 1.00 0.00 C ATOM 0 H ALA A 21 -6.469 -5.945 3.905 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.172 -7.690 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.090 -5.776 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.815 -5.270 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.526 -4.986 5.849 1.00 0.00 H new ATOM 328 N ASP A 22 -9.182 -7.233 4.912 1.00 0.00 N ATOM 329 CA ASP A 22 -10.538 -7.773 4.871 1.00 0.00 C ATOM 330 C ASP A 22 -10.501 -9.283 4.648 1.00 0.00 C ATOM 331 O ASP A 22 -11.188 -10.051 5.326 1.00 0.00 O ATOM 332 CB ASP A 22 -11.319 -7.085 3.743 1.00 0.00 C ATOM 333 CG ASP A 22 -12.738 -7.592 3.587 1.00 0.00 C ATOM 334 OD1 ASP A 22 -12.926 -8.670 2.988 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.676 -6.890 4.021 1.00 0.00 O ATOM 0 H ASP A 22 -8.995 -6.528 4.199 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.034 -7.582 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.345 -6.012 3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.786 -7.229 2.803 1.00 0.00 H new ATOM 340 N ARG A 23 -9.665 -9.699 3.705 1.00 0.00 N ATOM 341 CA ARG A 23 -9.507 -11.110 3.372 1.00 0.00 C ATOM 342 C ARG A 23 -8.895 -11.864 4.548 1.00 0.00 C ATOM 343 O ARG A 23 -9.237 -13.019 4.807 1.00 0.00 O ATOM 344 CB ARG A 23 -8.631 -11.244 2.119 1.00 0.00 C ATOM 345 CG ARG A 23 -8.660 -12.616 1.463 1.00 0.00 C ATOM 346 CD ARG A 23 -7.644 -13.560 2.080 1.00 0.00 C ATOM 347 NE ARG A 23 -7.722 -14.894 1.494 1.00 0.00 N ATOM 348 CZ ARG A 23 -6.713 -15.761 1.475 1.00 0.00 C ATOM 349 NH1 ARG A 23 -5.521 -15.419 1.952 1.00 0.00 N ATOM 350 NH2 ARG A 23 -6.886 -16.969 0.961 1.00 0.00 N ATOM 0 H ARG A 23 -9.080 -9.072 3.152 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.484 -11.546 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.951 -10.501 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.601 -11.006 2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.658 -13.043 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.459 -12.513 0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.641 -13.158 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.813 -13.624 3.155 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.606 -15.180 1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.374 -14.486 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.753 -16.090 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.793 -17.236 0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.112 -17.633 0.947 1.00 0.00 H new ATOM 364 N TYR A 24 -7.991 -11.202 5.259 1.00 0.00 N ATOM 365 CA TYR A 24 -7.362 -11.779 6.442 1.00 0.00 C ATOM 366 C TYR A 24 -8.376 -11.919 7.576 1.00 0.00 C ATOM 367 O TYR A 24 -8.350 -12.893 8.324 1.00 0.00 O ATOM 368 CB TYR A 24 -6.183 -10.905 6.885 1.00 0.00 C ATOM 369 CG TYR A 24 -5.475 -11.387 8.136 1.00 0.00 C ATOM 370 CD1 TYR A 24 -4.499 -12.370 8.068 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.781 -10.851 9.382 1.00 0.00 C ATOM 372 CE1 TYR A 24 -3.846 -12.807 9.205 1.00 0.00 C ATOM 373 CE2 TYR A 24 -5.132 -11.281 10.522 1.00 0.00 C ATOM 374 CZ TYR A 24 -4.167 -12.259 10.431 1.00 0.00 C ATOM 375 OH TYR A 24 -3.522 -12.690 11.568 1.00 0.00 O ATOM 0 H TYR A 24 -7.675 -10.258 5.035 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.991 -12.773 6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.460 -10.854 6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.544 -9.891 7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.245 -12.801 7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.539 -10.086 9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.088 -13.573 9.135 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.380 -10.852 11.482 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.614 -12.980 11.339 1.00 0.00 H new ATOM 385 N GLN A 25 -9.275 -10.944 7.680 1.00 0.00 N ATOM 386 CA GLN A 25 -10.280 -10.921 8.740 1.00 0.00 C ATOM 387 C GLN A 25 -11.247 -12.098 8.596 1.00 0.00 C ATOM 388 O GLN A 25 -11.752 -12.629 9.589 1.00 0.00 O ATOM 389 CB GLN A 25 -11.038 -9.589 8.714 1.00 0.00 C ATOM 390 CG GLN A 25 -12.030 -9.413 9.853 1.00 0.00 C ATOM 391 CD GLN A 25 -12.632 -8.020 9.899 1.00 0.00 C ATOM 392 OE1 GLN A 25 -12.789 -7.355 8.872 1.00 0.00 O ATOM 393 NE2 GLN A 25 -12.974 -7.565 11.094 1.00 0.00 N ATOM 0 H GLN A 25 -9.328 -10.153 7.038 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.776 -11.018 9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.316 -8.773 8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.571 -9.506 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.830 -10.146 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.530 -9.619 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.829 -8.144 11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.383 -6.635 11.188 1.00 0.00 H new ATOM 635 N LYS A 41 1.431 -13.364 -8.772 1.00 0.00 N ATOM 636 CA LYS A 41 2.479 -13.005 -9.717 1.00 0.00 C ATOM 637 C LYS A 41 2.146 -11.680 -10.419 1.00 0.00 C ATOM 638 O LYS A 41 2.827 -10.685 -10.179 1.00 0.00 O ATOM 639 CB LYS A 41 2.721 -14.134 -10.732 1.00 0.00 C ATOM 640 CG LYS A 41 3.747 -13.791 -11.800 1.00 0.00 C ATOM 641 CD LYS A 41 3.879 -14.910 -12.818 1.00 0.00 C ATOM 642 CE LYS A 41 4.819 -14.529 -13.950 1.00 0.00 C ATOM 643 NZ LYS A 41 4.971 -15.633 -14.937 1.00 0.00 N ATOM 0 HA LYS A 41 3.405 -12.864 -9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.051 -15.025 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.777 -14.383 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.456 -12.870 -12.305 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.714 -13.606 -11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.248 -15.809 -12.325 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.897 -15.150 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.439 -13.640 -14.454 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.795 -14.271 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.619 -15.335 -15.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.357 -16.473 -14.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.043 -15.863 -15.347 1.00 0.00 H new ATOM 657 N PRO A 42 1.076 -11.614 -11.258 1.00 0.00 N ATOM 658 CA PRO A 42 0.756 -10.389 -12.005 1.00 0.00 C ATOM 659 C PRO A 42 0.478 -9.209 -11.078 1.00 0.00 C ATOM 660 O PRO A 42 1.024 -8.120 -11.267 1.00 0.00 O ATOM 661 CB PRO A 42 -0.500 -10.754 -12.806 1.00 0.00 C ATOM 662 CG PRO A 42 -1.070 -11.945 -12.118 1.00 0.00 C ATOM 663 CD PRO A 42 0.103 -12.689 -11.544 1.00 0.00 C ATOM 0 HA PRO A 42 1.588 -10.073 -12.635 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.212 -9.929 -12.819 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.254 -10.979 -13.844 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.766 -11.647 -11.333 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.626 -12.571 -12.816 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.170 -13.236 -10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.503 -13.417 -12.250 1.00 0.00 H new ATOM 671 N ALA A 43 -0.350 -9.442 -10.063 1.00 0.00 N ATOM 672 CA ALA A 43 -0.697 -8.402 -9.102 1.00 0.00 C ATOM 673 C ALA A 43 0.530 -7.960 -8.314 1.00 0.00 C ATOM 674 O ALA A 43 0.705 -6.775 -8.031 1.00 0.00 O ATOM 675 CB ALA A 43 -1.787 -8.892 -8.161 1.00 0.00 C ATOM 0 H ALA A 43 -0.793 -10.343 -9.886 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.075 -7.541 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.035 -8.104 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.675 -9.153 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.434 -9.770 -7.621 1.00 0.00 H new ATOM 681 N VAL A 44 1.387 -8.917 -7.978 1.00 0.00 N ATOM 682 CA VAL A 44 2.598 -8.629 -7.222 1.00 0.00 C ATOM 683 C VAL A 44 3.535 -7.740 -8.030 1.00 0.00 C ATOM 684 O VAL A 44 4.028 -6.728 -7.531 1.00 0.00 O ATOM 685 CB VAL A 44 3.337 -9.922 -6.818 1.00 0.00 C ATOM 686 CG1 VAL A 44 4.599 -9.602 -6.027 1.00 0.00 C ATOM 687 CG2 VAL A 44 2.419 -10.832 -6.017 1.00 0.00 C ATOM 0 H VAL A 44 1.264 -9.901 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 44 2.295 -8.108 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 44 3.632 -10.444 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.102 -10.530 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.266 -8.993 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.333 -9.054 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.957 -11.739 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.091 -10.315 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.550 -11.095 -6.621 1.00 0.00 H new ATOM 697 N GLU A 45 3.762 -8.115 -9.283 1.00 0.00 N ATOM 698 CA GLU A 45 4.630 -7.356 -10.171 1.00 0.00 C ATOM 699 C GLU A 45 4.103 -5.938 -10.382 1.00 0.00 C ATOM 700 O GLU A 45 4.870 -4.975 -10.352 1.00 0.00 O ATOM 701 CB GLU A 45 4.761 -8.082 -11.506 1.00 0.00 C ATOM 702 CG GLU A 45 5.491 -9.409 -11.393 1.00 0.00 C ATOM 703 CD GLU A 45 5.631 -10.123 -12.720 1.00 0.00 C ATOM 704 OE1 GLU A 45 6.630 -9.873 -13.430 1.00 0.00 O ATOM 705 OE2 GLU A 45 4.751 -10.934 -13.061 1.00 0.00 O ATOM 0 H GLU A 45 3.353 -8.947 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 45 5.613 -7.277 -9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.767 -8.255 -11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.291 -7.441 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.482 -9.237 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.956 -10.053 -10.695 1.00 0.00 H new ATOM 712 N GLU A 46 2.792 -5.822 -10.579 1.00 0.00 N ATOM 713 CA GLU A 46 2.140 -4.536 -10.740 1.00 0.00 C ATOM 714 C GLU A 46 2.371 -3.637 -9.530 1.00 0.00 C ATOM 715 O GLU A 46 2.809 -2.498 -9.671 1.00 0.00 O ATOM 716 CB GLU A 46 0.645 -4.751 -10.955 1.00 0.00 C ATOM 717 CG GLU A 46 0.279 -5.121 -12.380 1.00 0.00 C ATOM 718 CD GLU A 46 0.591 -4.004 -13.353 1.00 0.00 C ATOM 719 OE1 GLU A 46 1.755 -3.894 -13.781 1.00 0.00 O ATOM 720 OE2 GLU A 46 -0.329 -3.230 -13.691 1.00 0.00 O ATOM 0 H GLU A 46 2.157 -6.619 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 46 2.571 -4.038 -11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.301 -5.539 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.113 -3.841 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.823 -6.019 -12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.783 -5.360 -12.431 1.00 0.00 H new ATOM 727 N ASN A 47 2.092 -4.157 -8.341 1.00 0.00 N ATOM 728 CA ASN A 47 2.226 -3.372 -7.116 1.00 0.00 C ATOM 729 C ASN A 47 3.690 -3.105 -6.785 1.00 0.00 C ATOM 730 O ASN A 47 4.009 -2.116 -6.130 1.00 0.00 O ATOM 731 CB ASN A 47 1.531 -4.062 -5.939 1.00 0.00 C ATOM 732 CG ASN A 47 0.021 -3.921 -5.998 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.545 -2.948 -5.497 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.645 -4.887 -6.610 1.00 0.00 N ATOM 0 H ASN A 47 1.773 -5.115 -8.197 1.00 0.00 H new ATOM 0 HA ASN A 47 1.737 -2.414 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.795 -5.120 -5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.897 -3.637 -5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.662 -4.841 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.142 -5.677 -7.013 1.00 0.00 H new ATOM 741 N ASP A 48 4.576 -3.977 -7.250 1.00 0.00 N ATOM 742 CA ASP A 48 6.011 -3.776 -7.068 1.00 0.00 C ATOM 743 C ASP A 48 6.465 -2.539 -7.836 1.00 0.00 C ATOM 744 O ASP A 48 7.088 -1.636 -7.273 1.00 0.00 O ATOM 745 CB ASP A 48 6.791 -5.003 -7.546 1.00 0.00 C ATOM 746 CG ASP A 48 8.290 -4.858 -7.350 1.00 0.00 C ATOM 747 OD1 ASP A 48 8.932 -4.140 -8.141 1.00 0.00 O ATOM 748 OD2 ASP A 48 8.837 -5.487 -6.419 1.00 0.00 O ATOM 0 H ASP A 48 4.329 -4.828 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 48 6.209 -3.631 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.442 -5.883 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.582 -5.173 -8.602 1.00 0.00 H new ATOM 753 N GLU A 49 6.128 -2.499 -9.122 1.00 0.00 N ATOM 754 CA GLU A 49 6.463 -1.361 -9.971 1.00 0.00 C ATOM 755 C GLU A 49 5.674 -0.132 -9.535 1.00 0.00 C ATOM 756 O GLU A 49 6.165 0.998 -9.600 1.00 0.00 O ATOM 757 CB GLU A 49 6.170 -1.677 -11.438 1.00 0.00 C ATOM 758 CG GLU A 49 6.937 -2.877 -11.961 1.00 0.00 C ATOM 759 CD GLU A 49 6.722 -3.112 -13.442 1.00 0.00 C ATOM 760 OE1 GLU A 49 7.429 -2.478 -14.254 1.00 0.00 O ATOM 761 OE2 GLU A 49 5.853 -3.932 -13.802 1.00 0.00 O ATOM 0 H GLU A 49 5.622 -3.244 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 49 7.529 -1.156 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.102 -1.858 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.415 -0.806 -12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.001 -2.733 -11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.632 -3.766 -11.409 1.00 0.00 H new ATOM 768 N LEU A 50 4.448 -0.373 -9.083 1.00 0.00 N ATOM 769 CA LEU A 50 3.581 0.679 -8.572 1.00 0.00 C ATOM 770 C LEU A 50 4.249 1.375 -7.392 1.00 0.00 C ATOM 771 O LEU A 50 4.345 2.597 -7.357 1.00 0.00 O ATOM 772 CB LEU A 50 2.243 0.077 -8.127 1.00 0.00 C ATOM 773 CG LEU A 50 1.050 1.031 -8.131 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.668 1.387 -9.557 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.131 0.407 -7.402 1.00 0.00 C ATOM 0 H LEU A 50 4.029 -1.303 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 50 3.403 1.408 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.012 -0.767 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.362 -0.321 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 50 1.332 1.945 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.183 2.067 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.512 1.869 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.401 0.480 -10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.973 1.099 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.417 -0.520 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.149 0.194 -6.370 1.00 0.00 H new ATOM 787 N ALA A 51 4.730 0.577 -6.444 1.00 0.00 N ATOM 788 CA ALA A 51 5.390 1.096 -5.250 1.00 0.00 C ATOM 789 C ALA A 51 6.658 1.864 -5.603 1.00 0.00 C ATOM 790 O ALA A 51 7.021 2.821 -4.922 1.00 0.00 O ATOM 791 CB ALA A 51 5.714 -0.038 -4.293 1.00 0.00 C ATOM 0 H ALA A 51 4.674 -0.441 -6.480 1.00 0.00 H new ATOM 0 HA ALA A 51 4.703 1.789 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.206 0.363 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.793 -0.541 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.376 -0.751 -4.784 1.00 0.00 H new ATOM 797 N ALA A 52 7.326 1.445 -6.673 1.00 0.00 N ATOM 798 CA ALA A 52 8.544 2.109 -7.121 1.00 0.00 C ATOM 799 C ALA A 52 8.243 3.530 -7.581 1.00 0.00 C ATOM 800 O ALA A 52 8.802 4.494 -7.052 1.00 0.00 O ATOM 801 CB ALA A 52 9.203 1.311 -8.237 1.00 0.00 C ATOM 0 H ALA A 52 7.044 0.649 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 52 9.237 2.163 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.111 1.820 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.455 0.315 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.515 1.226 -9.078 1.00 0.00 H new ATOM 807 N ARG A 53 7.346 3.658 -8.549 1.00 0.00 N ATOM 808 CA ARG A 53 6.964 4.950 -9.072 1.00 0.00 C ATOM 809 C ARG A 53 6.258 5.784 -8.003 1.00 0.00 C ATOM 810 O ARG A 53 6.422 7.003 -7.948 1.00 0.00 O ATOM 811 CB ARG A 53 6.060 4.741 -10.281 1.00 0.00 C ATOM 812 CG ARG A 53 6.023 5.923 -11.223 1.00 0.00 C ATOM 813 CD ARG A 53 4.988 6.951 -10.796 1.00 0.00 C ATOM 814 NE ARG A 53 5.152 8.231 -11.483 1.00 0.00 N ATOM 815 CZ ARG A 53 4.227 8.775 -12.279 1.00 0.00 C ATOM 816 NH1 ARG A 53 3.118 8.106 -12.568 1.00 0.00 N ATOM 817 NH2 ARG A 53 4.422 9.977 -12.807 1.00 0.00 N ATOM 0 H ARG A 53 6.869 2.871 -8.988 1.00 0.00 H new ATOM 0 HA ARG A 53 7.856 5.498 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.398 3.861 -10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.048 4.531 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.007 6.391 -11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.798 5.577 -12.232 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.990 6.561 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.060 7.108 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 53 6.026 8.740 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.970 7.174 -12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.414 8.524 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.281 10.489 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.713 10.388 -13.414 1.00 0.00 H new ATOM 831 N TRP A 54 5.478 5.119 -7.157 1.00 0.00 N ATOM 832 CA TRP A 54 4.765 5.795 -6.080 1.00 0.00 C ATOM 833 C TRP A 54 5.755 6.438 -5.117 1.00 0.00 C ATOM 834 O TRP A 54 5.631 7.616 -4.782 1.00 0.00 O ATOM 835 CB TRP A 54 3.872 4.804 -5.331 1.00 0.00 C ATOM 836 CG TRP A 54 2.986 5.435 -4.303 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.797 6.067 -4.526 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.214 5.491 -2.890 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.273 6.517 -3.341 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.124 6.175 -2.321 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.235 5.029 -2.052 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.026 6.408 -0.951 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.136 5.258 -0.693 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.038 5.942 -0.152 1.00 0.00 C ATOM 0 H TRP A 54 5.324 4.112 -7.197 1.00 0.00 H new ATOM 0 HA TRP A 54 4.138 6.574 -6.513 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.252 4.273 -6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.502 4.060 -4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.336 6.194 -5.494 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.394 7.023 -3.235 1.00 0.00 H new ATOM 0 HE3 TRP A 54 5.085 4.503 -2.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.182 6.937 -0.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.917 4.904 -0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.989 6.105 0.915 1.00 0.00 H new ATOM 855 N ALA A 55 6.746 5.661 -4.689 1.00 0.00 N ATOM 856 CA ALA A 55 7.775 6.160 -3.789 1.00 0.00 C ATOM 857 C ALA A 55 8.543 7.305 -4.431 1.00 0.00 C ATOM 858 O ALA A 55 8.823 8.307 -3.783 1.00 0.00 O ATOM 859 CB ALA A 55 8.723 5.041 -3.391 1.00 0.00 C ATOM 0 H ALA A 55 6.856 4.682 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 55 7.288 6.537 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.486 5.433 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.164 4.253 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.200 4.634 -4.283 1.00 0.00 H new ATOM 865 N GLU A 56 8.867 7.155 -5.710 1.00 0.00 N ATOM 866 CA GLU A 56 9.563 8.190 -6.453 1.00 0.00 C ATOM 867 C GLU A 56 8.755 9.485 -6.492 1.00 0.00 C ATOM 868 O GLU A 56 9.300 10.574 -6.305 1.00 0.00 O ATOM 869 CB GLU A 56 9.842 7.698 -7.866 1.00 0.00 C ATOM 870 CG GLU A 56 11.279 7.266 -8.078 1.00 0.00 C ATOM 871 CD GLU A 56 12.247 8.425 -7.967 1.00 0.00 C ATOM 872 OE1 GLU A 56 12.472 9.115 -8.984 1.00 0.00 O ATOM 873 OE2 GLU A 56 12.780 8.663 -6.865 1.00 0.00 O ATOM 0 H GLU A 56 8.655 6.319 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 56 10.505 8.405 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.181 6.860 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.600 8.491 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.540 6.505 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.377 6.806 -9.061 1.00 0.00 H new ATOM 880 N GLY A 57 7.457 9.362 -6.737 1.00 0.00 N ATOM 881 CA GLY A 57 6.594 10.526 -6.773 1.00 0.00 C ATOM 882 C GLY A 57 6.386 11.132 -5.400 1.00 0.00 C ATOM 883 O GLY A 57 6.330 12.355 -5.254 1.00 0.00 O ATOM 0 H GLY A 57 6.986 8.474 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.026 11.275 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.628 10.246 -7.194 1.00 0.00 H new ATOM 887 N ALA A 58 6.275 10.274 -4.393 1.00 0.00 N ATOM 888 CA ALA A 58 6.088 10.719 -3.018 1.00 0.00 C ATOM 889 C ALA A 58 7.339 11.423 -2.500 1.00 0.00 C ATOM 890 O ALA A 58 7.258 12.494 -1.898 1.00 0.00 O ATOM 891 CB ALA A 58 5.732 9.537 -2.129 1.00 0.00 C ATOM 0 H ALA A 58 6.312 9.261 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 58 5.266 11.434 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.595 9.881 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.809 9.079 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.537 8.803 -2.160 1.00 0.00 H new ATOM 897 N LEU A 59 8.499 10.818 -2.753 1.00 0.00 N ATOM 898 CA LEU A 59 9.776 11.395 -2.380 1.00 0.00 C ATOM 899 C LEU A 59 9.991 12.730 -3.077 1.00 0.00 C ATOM 900 O LEU A 59 10.600 13.645 -2.522 1.00 0.00 O ATOM 901 CB LEU A 59 10.894 10.421 -2.745 1.00 0.00 C ATOM 902 CG LEU A 59 11.032 9.202 -1.826 1.00 0.00 C ATOM 903 CD1 LEU A 59 12.140 8.287 -2.318 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.303 9.641 -0.396 1.00 0.00 C ATOM 0 H LEU A 59 8.573 9.915 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 59 9.784 11.573 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.728 10.070 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.839 10.963 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 59 10.093 8.649 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.224 7.427 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.908 7.945 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.084 8.831 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.398 8.763 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.228 10.217 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.478 10.259 -0.042 1.00 0.00 H new ATOM 916 N GLU A 60 9.511 12.821 -4.308 1.00 0.00 N ATOM 917 CA GLU A 60 9.518 14.074 -5.049 1.00 0.00 C ATOM 918 C GLU A 60 8.667 15.111 -4.325 1.00 0.00 C ATOM 919 O GLU A 60 9.138 16.197 -3.990 1.00 0.00 O ATOM 920 CB GLU A 60 8.970 13.840 -6.463 1.00 0.00 C ATOM 921 CG GLU A 60 8.921 15.090 -7.329 1.00 0.00 C ATOM 922 CD GLU A 60 10.296 15.628 -7.653 1.00 0.00 C ATOM 923 OE1 GLU A 60 10.904 16.279 -6.783 1.00 0.00 O ATOM 924 OE2 GLU A 60 10.784 15.386 -8.777 1.00 0.00 O ATOM 0 H GLU A 60 9.108 12.035 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 60 10.541 14.444 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.587 13.091 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.965 13.425 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.396 14.864 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.345 15.860 -6.816 1.00 0.00 H new ATOM 931 N LEU A 61 7.428 14.732 -4.046 1.00 0.00 N ATOM 932 CA LEU A 61 6.446 15.633 -3.456 1.00 0.00 C ATOM 933 C LEU A 61 6.938 16.214 -2.131 1.00 0.00 C ATOM 934 O LEU A 61 6.898 17.423 -1.928 1.00 0.00 O ATOM 935 CB LEU A 61 5.124 14.887 -3.237 1.00 0.00 C ATOM 936 CG LEU A 61 3.955 15.748 -2.756 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.571 16.771 -3.813 1.00 0.00 C ATOM 938 CD2 LEU A 61 2.764 14.867 -2.405 1.00 0.00 C ATOM 0 H LEU A 61 7.074 13.792 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 61 6.293 16.461 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.838 14.407 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.291 14.093 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 61 4.266 16.287 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.738 17.373 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.423 17.418 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.276 16.256 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.938 15.491 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.455 14.305 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.046 14.173 -1.613 1.00 0.00 H new ATOM 950 N ILE A 62 7.431 15.353 -1.251 1.00 0.00 N ATOM 951 CA ILE A 62 7.781 15.761 0.107 1.00 0.00 C ATOM 952 C ILE A 62 8.991 16.693 0.150 1.00 0.00 C ATOM 953 O ILE A 62 9.118 17.499 1.074 1.00 0.00 O ATOM 954 CB ILE A 62 8.048 14.545 1.024 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.198 13.699 0.474 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.787 13.704 1.169 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.592 12.542 1.360 1.00 0.00 C ATOM 0 H ILE A 62 7.598 14.367 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 62 6.913 16.307 0.477 1.00 0.00 H new ATOM 0 HB ILE A 62 8.334 14.912 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.914 13.313 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.067 14.340 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.991 12.852 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.993 14.310 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.473 13.347 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.413 11.993 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.909 12.920 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.739 11.876 1.490 1.00 0.00 H new ATOM 969 N LYS A 63 9.903 16.583 -0.812 1.00 0.00 N ATOM 970 CA LYS A 63 11.061 17.466 -0.807 1.00 0.00 C ATOM 971 C LYS A 63 10.719 18.802 -1.454 1.00 0.00 C ATOM 972 O LYS A 63 11.376 19.812 -1.201 1.00 0.00 O ATOM 973 CB LYS A 63 12.288 16.832 -1.469 1.00 0.00 C ATOM 974 CG LYS A 63 12.257 16.789 -2.988 1.00 0.00 C ATOM 975 CD LYS A 63 13.667 16.622 -3.530 1.00 0.00 C ATOM 976 CE LYS A 63 13.718 16.569 -5.048 1.00 0.00 C ATOM 977 NZ LYS A 63 13.030 15.374 -5.602 1.00 0.00 N ATOM 0 H LYS A 63 9.866 15.914 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 63 11.326 17.640 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.175 17.383 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.397 15.814 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.629 15.964 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.815 17.706 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.285 17.449 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.100 15.707 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.258 17.470 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.758 16.568 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.650 14.905 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.809 14.712 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.149 15.667 -6.071 1.00 0.00 H new ATOM 991 N VAL A 64 9.685 18.807 -2.286 1.00 0.00 N ATOM 992 CA VAL A 64 9.230 20.036 -2.919 1.00 0.00 C ATOM 993 C VAL A 64 8.308 20.806 -1.976 1.00 0.00 C ATOM 994 O VAL A 64 8.425 22.025 -1.832 1.00 0.00 O ATOM 995 CB VAL A 64 8.497 19.759 -4.249 1.00 0.00 C ATOM 996 CG1 VAL A 64 8.026 21.055 -4.890 1.00 0.00 C ATOM 997 CG2 VAL A 64 9.391 18.988 -5.207 1.00 0.00 C ATOM 0 H VAL A 64 9.148 17.977 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 64 10.113 20.635 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 64 7.621 19.149 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.513 20.833 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.342 21.568 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.885 21.695 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.854 18.804 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.289 19.570 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.672 18.036 -4.756 1.00 0.00 H new ATOM 1007 N ARG A 65 7.400 20.088 -1.334 1.00 0.00 N ATOM 1008 CA ARG A 65 6.506 20.683 -0.359 1.00 0.00 C ATOM 1009 C ARG A 65 6.507 19.852 0.918 1.00 0.00 C ATOM 1010 O ARG A 65 6.389 18.628 0.874 1.00 0.00 O ATOM 1011 CB ARG A 65 5.079 20.803 -0.914 1.00 0.00 C ATOM 1012 CG ARG A 65 4.413 19.470 -1.225 1.00 0.00 C ATOM 1013 CD ARG A 65 2.944 19.645 -1.570 1.00 0.00 C ATOM 1014 NE ARG A 65 2.202 20.301 -0.495 1.00 0.00 N ATOM 1015 CZ ARG A 65 0.918 20.068 -0.216 1.00 0.00 C ATOM 1016 NH1 ARG A 65 0.245 19.128 -0.875 1.00 0.00 N ATOM 1017 NH2 ARG A 65 0.311 20.766 0.737 1.00 0.00 N ATOM 0 H ARG A 65 7.264 19.087 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 65 6.864 21.688 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.465 21.343 -0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.105 21.404 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.928 18.991 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.509 18.806 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.854 20.233 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.501 18.670 -1.773 1.00 0.00 H new ATOM 0 HE ARG A 65 2.698 20.982 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.710 18.580 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.736 18.955 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.826 21.479 1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.670 20.590 0.952 1.00 0.00 H new ATOM 1031 N ARG A 66 6.671 20.520 2.047 1.00 0.00 N ATOM 1032 CA ARG A 66 6.698 19.849 3.337 1.00 0.00 C ATOM 1033 C ARG A 66 5.305 19.396 3.756 1.00 0.00 C ATOM 1034 O ARG A 66 4.386 20.210 3.903 1.00 0.00 O ATOM 1035 CB ARG A 66 7.322 20.761 4.392 1.00 0.00 C ATOM 1036 CG ARG A 66 8.840 20.690 4.411 1.00 0.00 C ATOM 1037 CD ARG A 66 9.457 21.933 5.023 1.00 0.00 C ATOM 1038 NE ARG A 66 9.431 23.060 4.095 1.00 0.00 N ATOM 1039 CZ ARG A 66 10.383 23.987 4.031 1.00 0.00 C ATOM 1040 NH1 ARG A 66 11.403 23.961 4.885 1.00 0.00 N ATOM 1041 NH2 ARG A 66 10.307 24.953 3.123 1.00 0.00 N ATOM 0 H ARG A 66 6.788 21.532 2.097 1.00 0.00 H new ATOM 0 HA ARG A 66 7.314 18.955 3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.014 21.789 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.938 20.487 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.155 19.813 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.210 20.564 3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.917 22.198 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.487 21.724 5.313 1.00 0.00 H new ATOM 0 HE ARG A 66 8.637 23.141 3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.457 23.228 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.131 24.674 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.519 24.984 2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.036 25.664 3.073 1.00 0.00 H new ATOM 1055 N PRO A 67 5.140 18.078 3.933 1.00 0.00 N ATOM 1056 CA PRO A 67 3.857 17.469 4.284 1.00 0.00 C ATOM 1057 C PRO A 67 3.516 17.613 5.765 1.00 0.00 C ATOM 1058 O PRO A 67 4.394 17.831 6.607 1.00 0.00 O ATOM 1059 CB PRO A 67 4.067 16.003 3.921 1.00 0.00 C ATOM 1060 CG PRO A 67 5.525 15.769 4.116 1.00 0.00 C ATOM 1061 CD PRO A 67 6.207 17.067 3.784 1.00 0.00 C ATOM 0 HA PRO A 67 3.024 17.944 3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.472 15.348 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.768 15.803 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.737 15.469 5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.880 14.966 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.041 17.264 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.611 17.059 2.772 1.00 0.00 H new ATOM 1069 N LYS A 68 2.236 17.489 6.070 1.00 0.00 N ATOM 1070 CA LYS A 68 1.741 17.678 7.427 1.00 0.00 C ATOM 1071 C LYS A 68 1.449 16.341 8.098 1.00 0.00 C ATOM 1072 O LYS A 68 1.568 16.208 9.317 1.00 0.00 O ATOM 1073 CB LYS A 68 0.470 18.539 7.430 1.00 0.00 C ATOM 1074 CG LYS A 68 0.694 20.011 7.097 1.00 0.00 C ATOM 1075 CD LYS A 68 1.103 20.222 5.648 1.00 0.00 C ATOM 1076 CE LYS A 68 1.241 21.699 5.316 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.250 22.379 6.174 1.00 0.00 N ATOM 0 H LYS A 68 1.512 17.256 5.390 1.00 0.00 H new ATOM 0 HA LYS A 68 2.522 18.190 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.236 18.122 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.004 18.470 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.220 20.569 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.466 20.415 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.050 19.716 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.362 19.768 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.524 21.809 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.275 22.188 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.446 23.327 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.882 22.463 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.128 21.822 6.184 1.00 0.00 H new ATOM 1091 N TYR A 69 1.066 15.349 7.307 1.00 0.00 N ATOM 1092 CA TYR A 69 0.698 14.050 7.852 1.00 0.00 C ATOM 1093 C TYR A 69 1.777 13.017 7.554 1.00 0.00 C ATOM 1094 O TYR A 69 2.334 12.397 8.465 1.00 0.00 O ATOM 1095 CB TYR A 69 -0.637 13.573 7.269 1.00 0.00 C ATOM 1096 CG TYR A 69 -1.796 14.518 7.491 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -2.476 14.545 8.699 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -2.217 15.371 6.481 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -3.544 15.401 8.895 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -3.282 16.227 6.668 1.00 0.00 C ATOM 1101 CZ TYR A 69 -3.943 16.239 7.875 1.00 0.00 C ATOM 1102 OH TYR A 69 -5.012 17.088 8.064 1.00 0.00 O ATOM 0 H TYR A 69 1.002 15.418 6.291 1.00 0.00 H new ATOM 0 HA TYR A 69 0.596 14.160 8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.514 13.415 6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.885 12.606 7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.167 13.888 9.498 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.702 15.365 5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.063 15.413 9.842 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.596 16.885 5.871 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.162 17.611 7.249 1.00 0.00 H new ATOM 1112 N VAL A 70 2.079 12.843 6.274 1.00 0.00 N ATOM 1113 CA VAL A 70 3.035 11.835 5.851 1.00 0.00 C ATOM 1114 C VAL A 70 4.463 12.296 6.142 1.00 0.00 C ATOM 1115 O VAL A 70 4.735 13.492 6.249 1.00 0.00 O ATOM 1116 CB VAL A 70 2.866 11.484 4.350 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.222 12.664 3.459 1.00 0.00 C ATOM 1118 CG2 VAL A 70 3.690 10.259 3.982 1.00 0.00 C ATOM 0 H VAL A 70 1.674 13.388 5.513 1.00 0.00 H new ATOM 0 HA VAL A 70 2.838 10.929 6.424 1.00 0.00 H new ATOM 0 HB VAL A 70 1.815 11.250 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.092 12.383 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.570 13.506 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.259 12.950 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.554 10.034 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.744 10.457 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.363 9.408 4.579 1.00 0.00 H new ATOM 1128 N HIS A 71 5.363 11.341 6.312 1.00 0.00 N ATOM 1129 CA HIS A 71 6.754 11.640 6.615 1.00 0.00 C ATOM 1130 C HIS A 71 7.669 10.807 5.733 1.00 0.00 C ATOM 1131 O HIS A 71 7.274 9.738 5.257 1.00 0.00 O ATOM 1132 CB HIS A 71 7.055 11.368 8.094 1.00 0.00 C ATOM 1133 CG HIS A 71 6.510 12.406 9.033 1.00 0.00 C ATOM 1134 ND1 HIS A 71 5.168 12.538 9.327 1.00 0.00 N ATOM 1135 CD2 HIS A 71 7.143 13.358 9.758 1.00 0.00 C ATOM 1136 CE1 HIS A 71 5.003 13.522 10.190 1.00 0.00 C ATOM 1137 NE2 HIS A 71 6.184 14.035 10.473 1.00 0.00 N ATOM 0 H HIS A 71 5.153 10.345 6.245 1.00 0.00 H new ATOM 0 HA HIS A 71 6.933 12.697 6.416 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.642 10.396 8.365 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.135 11.304 8.228 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.420 11.964 8.938 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.206 13.550 9.772 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.058 13.852 10.597 1.00 0.00 H new ATOM 1146 N LYS A 72 8.881 11.304 5.522 1.00 0.00 N ATOM 1147 CA LYS A 72 9.870 10.638 4.677 1.00 0.00 C ATOM 1148 C LYS A 72 10.129 9.216 5.171 1.00 0.00 C ATOM 1149 O LYS A 72 10.191 8.274 4.379 1.00 0.00 O ATOM 1150 CB LYS A 72 11.168 11.468 4.665 1.00 0.00 C ATOM 1151 CG LYS A 72 12.176 11.072 3.591 1.00 0.00 C ATOM 1152 CD LYS A 72 13.102 9.955 4.049 1.00 0.00 C ATOM 1153 CE LYS A 72 14.158 9.648 2.996 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.113 8.602 3.449 1.00 0.00 N ATOM 0 H LYS A 72 9.208 12.179 5.930 1.00 0.00 H new ATOM 0 HA LYS A 72 9.488 10.566 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.909 12.518 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.646 11.381 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.642 10.754 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.770 11.943 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.588 10.241 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.519 9.057 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.670 9.319 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.706 10.559 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.511 8.114 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.881 9.045 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.615 7.914 4.050 1.00 0.00 H new ATOM 1168 N GLU A 73 10.249 9.073 6.487 1.00 0.00 N ATOM 1169 CA GLU A 73 10.510 7.782 7.113 1.00 0.00 C ATOM 1170 C GLU A 73 9.394 6.787 6.799 1.00 0.00 C ATOM 1171 O GLU A 73 9.647 5.601 6.580 1.00 0.00 O ATOM 1172 CB GLU A 73 10.639 7.934 8.636 1.00 0.00 C ATOM 1173 CG GLU A 73 11.539 9.084 9.082 1.00 0.00 C ATOM 1174 CD GLU A 73 10.788 10.390 9.273 1.00 0.00 C ATOM 1175 OE1 GLU A 73 10.393 11.011 8.264 1.00 0.00 O ATOM 1176 OE2 GLU A 73 10.599 10.808 10.434 1.00 0.00 O ATOM 0 H GLU A 73 10.168 9.846 7.147 1.00 0.00 H new ATOM 0 HA GLU A 73 11.448 7.404 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.645 8.081 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.027 7.003 9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.028 8.813 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.326 9.229 8.342 1.00 0.00 H new ATOM 1183 N GLN A 74 8.162 7.286 6.761 1.00 0.00 N ATOM 1184 CA GLN A 74 6.997 6.438 6.546 1.00 0.00 C ATOM 1185 C GLN A 74 6.957 5.884 5.133 1.00 0.00 C ATOM 1186 O GLN A 74 6.708 4.699 4.936 1.00 0.00 O ATOM 1187 CB GLN A 74 5.708 7.214 6.819 1.00 0.00 C ATOM 1188 CG GLN A 74 5.411 7.433 8.292 1.00 0.00 C ATOM 1189 CD GLN A 74 5.270 6.134 9.060 1.00 0.00 C ATOM 1190 OE1 GLN A 74 6.231 5.635 9.642 1.00 0.00 O ATOM 1191 NE2 GLN A 74 4.075 5.565 9.044 1.00 0.00 N ATOM 0 H GLN A 74 7.946 8.276 6.877 1.00 0.00 H new ATOM 0 HA GLN A 74 7.077 5.603 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.770 8.184 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.873 6.679 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.210 8.027 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.492 8.010 8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.304 6.013 8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.925 4.679 9.527 1.00 0.00 H new ATOM 1200 N ILE A 75 7.211 6.742 4.157 1.00 0.00 N ATOM 1201 CA ILE A 75 7.082 6.372 2.750 1.00 0.00 C ATOM 1202 C ILE A 75 7.966 5.178 2.400 1.00 0.00 C ATOM 1203 O ILE A 75 7.539 4.262 1.693 1.00 0.00 O ATOM 1204 CB ILE A 75 7.428 7.566 1.832 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.494 8.739 2.137 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.328 7.166 0.364 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.809 9.992 1.351 1.00 0.00 C ATOM 0 H ILE A 75 7.509 7.705 4.312 1.00 0.00 H new ATOM 0 HA ILE A 75 6.042 6.088 2.587 1.00 0.00 H new ATOM 0 HB ILE A 75 8.456 7.873 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.468 8.438 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.548 8.966 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.576 8.022 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.025 6.353 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.312 6.837 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.104 10.778 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.823 10.319 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.727 9.783 0.284 1.00 0.00 H new ATOM 1219 N GLU A 76 9.183 5.177 2.922 1.00 0.00 N ATOM 1220 CA GLU A 76 10.126 4.103 2.643 1.00 0.00 C ATOM 1221 C GLU A 76 9.694 2.823 3.346 1.00 0.00 C ATOM 1222 O GLU A 76 9.799 1.725 2.794 1.00 0.00 O ATOM 1223 CB GLU A 76 11.528 4.505 3.090 1.00 0.00 C ATOM 1224 CG GLU A 76 12.019 5.782 2.439 1.00 0.00 C ATOM 1225 CD GLU A 76 13.416 6.153 2.874 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.611 6.494 4.059 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.334 6.116 2.033 1.00 0.00 O ATOM 0 H GLU A 76 9.541 5.906 3.540 1.00 0.00 H new ATOM 0 HA GLU A 76 10.140 3.921 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.535 4.631 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.222 3.697 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.999 5.665 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.337 6.596 2.684 1.00 0.00 H new ATOM 1234 N ALA A 77 9.184 2.977 4.561 1.00 0.00 N ATOM 1235 CA ALA A 77 8.725 1.844 5.346 1.00 0.00 C ATOM 1236 C ALA A 77 7.493 1.209 4.712 1.00 0.00 C ATOM 1237 O ALA A 77 7.406 -0.015 4.598 1.00 0.00 O ATOM 1238 CB ALA A 77 8.425 2.272 6.776 1.00 0.00 C ATOM 0 H ALA A 77 9.079 3.880 5.024 1.00 0.00 H new ATOM 0 HA ALA A 77 9.521 1.100 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.082 1.411 7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.329 2.675 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.648 3.037 6.772 1.00 0.00 H new ATOM 1244 N VAL A 78 6.552 2.046 4.285 1.00 0.00 N ATOM 1245 CA VAL A 78 5.306 1.567 3.699 1.00 0.00 C ATOM 1246 C VAL A 78 5.558 0.844 2.380 1.00 0.00 C ATOM 1247 O VAL A 78 4.945 -0.182 2.112 1.00 0.00 O ATOM 1248 CB VAL A 78 4.300 2.723 3.478 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.057 2.241 2.736 1.00 0.00 C ATOM 1250 CG2 VAL A 78 3.910 3.343 4.812 1.00 0.00 C ATOM 0 H VAL A 78 6.630 3.062 4.334 1.00 0.00 H new ATOM 0 HA VAL A 78 4.872 0.863 4.409 1.00 0.00 H new ATOM 0 HB VAL A 78 4.786 3.480 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.370 3.076 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.346 1.842 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.566 1.461 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.202 4.155 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.448 2.585 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.800 3.734 5.305 1.00 0.00 H new ATOM 1260 N LYS A 79 6.474 1.370 1.572 1.00 0.00 N ATOM 1261 CA LYS A 79 6.800 0.760 0.282 1.00 0.00 C ATOM 1262 C LYS A 79 7.183 -0.709 0.452 1.00 0.00 C ATOM 1263 O LYS A 79 6.760 -1.572 -0.319 1.00 0.00 O ATOM 1264 CB LYS A 79 7.953 1.509 -0.387 1.00 0.00 C ATOM 1265 CG LYS A 79 8.335 0.943 -1.745 1.00 0.00 C ATOM 1266 CD LYS A 79 9.685 1.464 -2.202 1.00 0.00 C ATOM 1267 CE LYS A 79 10.108 0.839 -3.518 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.523 1.151 -3.841 1.00 0.00 N ATOM 0 H LYS A 79 7.004 2.215 1.785 1.00 0.00 H new ATOM 0 HA LYS A 79 5.913 0.822 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.676 2.557 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.824 1.480 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.362 -0.145 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.574 1.208 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.640 2.548 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.435 1.251 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.975 -0.242 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.463 1.202 -4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.778 0.708 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.643 2.181 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.140 0.782 -3.089 1.00 0.00 H new ATOM 1282 N ASP A 80 7.994 -0.981 1.462 1.00 0.00 N ATOM 1283 CA ASP A 80 8.426 -2.344 1.754 1.00 0.00 C ATOM 1284 C ASP A 80 7.328 -3.129 2.455 1.00 0.00 C ATOM 1285 O ASP A 80 6.956 -4.215 2.016 1.00 0.00 O ATOM 1286 CB ASP A 80 9.690 -2.327 2.615 1.00 0.00 C ATOM 1287 CG ASP A 80 10.073 -3.705 3.122 1.00 0.00 C ATOM 1288 OD1 ASP A 80 10.445 -4.566 2.299 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.000 -3.931 4.351 1.00 0.00 O ATOM 0 H ASP A 80 8.369 -0.276 2.097 1.00 0.00 H new ATOM 0 HA ASP A 80 8.646 -2.837 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.515 -1.916 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.537 -1.662 3.465 1.00 0.00 H new ATOM 1294 N ASN A 81 6.788 -2.558 3.525 1.00 0.00 N ATOM 1295 CA ASN A 81 5.779 -3.240 4.332 1.00 0.00 C ATOM 1296 C ASN A 81 4.516 -3.542 3.534 1.00 0.00 C ATOM 1297 O ASN A 81 3.789 -4.471 3.863 1.00 0.00 O ATOM 1298 CB ASN A 81 5.427 -2.425 5.577 1.00 0.00 C ATOM 1299 CG ASN A 81 6.442 -2.599 6.692 1.00 0.00 C ATOM 1300 OD1 ASN A 81 6.300 -3.474 7.548 1.00 0.00 O ATOM 1301 ND2 ASN A 81 7.473 -1.773 6.691 1.00 0.00 N ATOM 0 H ASN A 81 7.031 -1.624 3.855 1.00 0.00 H new ATOM 0 HA ASN A 81 6.215 -4.190 4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.362 -1.370 5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.442 -2.724 5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.186 -1.847 7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.556 -1.061 5.965 1.00 0.00 H new ATOM 1308 N PHE A 82 4.253 -2.762 2.494 1.00 0.00 N ATOM 1309 CA PHE A 82 3.113 -3.024 1.622 1.00 0.00 C ATOM 1310 C PHE A 82 3.306 -4.349 0.892 1.00 0.00 C ATOM 1311 O PHE A 82 2.417 -5.201 0.883 1.00 0.00 O ATOM 1312 CB PHE A 82 2.926 -1.886 0.613 1.00 0.00 C ATOM 1313 CG PHE A 82 1.695 -2.027 -0.238 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.446 -1.715 0.275 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.785 -2.478 -1.545 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.690 -1.849 -0.499 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.652 -2.614 -2.324 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.588 -2.300 -1.800 1.00 0.00 C ATOM 0 H PHE A 82 4.809 -1.947 2.234 1.00 0.00 H new ATOM 0 HA PHE A 82 2.216 -3.085 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.878 -0.940 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.801 -1.840 -0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.360 -1.363 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.751 -2.726 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.657 -1.601 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.735 -2.965 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.475 -2.407 -2.407 1.00 0.00 H new ATOM 1328 N LEU A 83 4.482 -4.525 0.298 1.00 0.00 N ATOM 1329 CA LEU A 83 4.810 -5.760 -0.405 1.00 0.00 C ATOM 1330 C LEU A 83 4.859 -6.931 0.572 1.00 0.00 C ATOM 1331 O LEU A 83 4.398 -8.034 0.265 1.00 0.00 O ATOM 1332 CB LEU A 83 6.145 -5.616 -1.144 1.00 0.00 C ATOM 1333 CG LEU A 83 6.115 -4.698 -2.370 1.00 0.00 C ATOM 1334 CD1 LEU A 83 7.474 -4.674 -3.052 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.035 -5.146 -3.346 1.00 0.00 C ATOM 0 H LEU A 83 5.225 -3.826 0.290 1.00 0.00 H new ATOM 0 HA LEU A 83 4.031 -5.959 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.890 -5.238 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.477 -6.605 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 83 5.880 -3.687 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.434 -4.017 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.225 -4.306 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.739 -5.682 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.028 -4.482 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.240 -6.166 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.063 -5.111 -2.854 1.00 0.00 H new ATOM 1347 N GLU A 84 5.409 -6.674 1.752 1.00 0.00 N ATOM 1348 CA GLU A 84 5.435 -7.658 2.827 1.00 0.00 C ATOM 1349 C GLU A 84 4.015 -8.074 3.205 1.00 0.00 C ATOM 1350 O GLU A 84 3.715 -9.263 3.330 1.00 0.00 O ATOM 1351 CB GLU A 84 6.141 -7.069 4.048 1.00 0.00 C ATOM 1352 CG GLU A 84 7.600 -6.717 3.806 1.00 0.00 C ATOM 1353 CD GLU A 84 8.503 -7.931 3.800 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.555 -8.647 2.780 1.00 0.00 O ATOM 1355 OE2 GLU A 84 9.164 -8.178 4.830 1.00 0.00 O ATOM 0 H GLU A 84 5.847 -5.784 1.990 1.00 0.00 H new ATOM 0 HA GLU A 84 5.978 -8.538 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.609 -6.172 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.081 -7.783 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.690 -6.198 2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.935 -6.025 4.578 1.00 0.00 H new ATOM 1362 N LEU A 85 3.146 -7.079 3.366 1.00 0.00 N ATOM 1363 CA LEU A 85 1.758 -7.298 3.758 1.00 0.00 C ATOM 1364 C LEU A 85 1.050 -8.189 2.744 1.00 0.00 C ATOM 1365 O LEU A 85 0.359 -9.135 3.118 1.00 0.00 O ATOM 1366 CB LEU A 85 1.043 -5.945 3.885 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.244 -5.927 4.727 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.615 -4.494 5.080 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.398 -6.592 3.989 1.00 0.00 C ATOM 0 H LEU A 85 3.386 -6.097 3.228 1.00 0.00 H new ATOM 0 HA LEU A 85 1.734 -7.804 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.742 -5.228 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.800 -5.592 2.883 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.056 -6.490 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.527 -4.491 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.194 -4.039 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.777 -3.924 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.293 -6.563 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.587 -6.061 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.141 -7.629 3.771 1.00 0.00 H new ATOM 1381 N VAL A 86 1.234 -7.889 1.462 1.00 0.00 N ATOM 1382 CA VAL A 86 0.625 -8.680 0.400 1.00 0.00 C ATOM 1383 C VAL A 86 1.031 -10.148 0.519 1.00 0.00 C ATOM 1384 O VAL A 86 0.180 -11.036 0.517 1.00 0.00 O ATOM 1385 CB VAL A 86 1.013 -8.149 -1.001 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.421 -9.019 -2.103 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.558 -6.709 -1.172 1.00 0.00 C ATOM 0 H VAL A 86 1.799 -7.105 1.135 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.456 -8.593 0.514 1.00 0.00 H new ATOM 0 HB VAL A 86 2.099 -8.188 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.711 -8.621 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.794 -10.038 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.666 -9.021 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.840 -6.354 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.525 -6.654 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.032 -6.085 -0.414 1.00 0.00 H new ATOM 1397 N LEU A 87 2.328 -10.389 0.662 1.00 0.00 N ATOM 1398 CA LEU A 87 2.852 -11.745 0.754 1.00 0.00 C ATOM 1399 C LEU A 87 2.320 -12.462 1.996 1.00 0.00 C ATOM 1400 O LEU A 87 1.860 -13.604 1.921 1.00 0.00 O ATOM 1401 CB LEU A 87 4.382 -11.710 0.785 1.00 0.00 C ATOM 1402 CG LEU A 87 5.067 -13.078 0.839 1.00 0.00 C ATOM 1403 CD1 LEU A 87 4.759 -13.887 -0.412 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.569 -12.914 1.009 1.00 0.00 C ATOM 0 H LEU A 87 3.039 -9.659 0.717 1.00 0.00 H new ATOM 0 HA LEU A 87 2.519 -12.299 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.735 -11.180 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.698 -11.129 1.652 1.00 0.00 H new ATOM 0 HG LEU A 87 4.677 -13.620 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.256 -14.855 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.682 -14.037 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.117 -13.350 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.040 -13.896 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.971 -12.350 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.774 -12.379 1.936 1.00 0.00 H new ATOM 1416 N GLN A 88 2.364 -11.778 3.132 1.00 0.00 N ATOM 1417 CA GLN A 88 1.979 -12.384 4.402 1.00 0.00 C ATOM 1418 C GLN A 88 0.461 -12.538 4.515 1.00 0.00 C ATOM 1419 O GLN A 88 -0.026 -13.294 5.354 1.00 0.00 O ATOM 1420 CB GLN A 88 2.526 -11.563 5.574 1.00 0.00 C ATOM 1421 CG GLN A 88 1.904 -10.183 5.707 1.00 0.00 C ATOM 1422 CD GLN A 88 2.697 -9.265 6.616 1.00 0.00 C ATOM 1423 OE1 GLN A 88 2.139 -8.400 7.286 1.00 0.00 O ATOM 1424 NE2 GLN A 88 4.011 -9.434 6.630 1.00 0.00 N ATOM 0 H GLN A 88 2.662 -10.805 3.201 1.00 0.00 H new ATOM 0 HA GLN A 88 2.415 -13.382 4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.361 -12.115 6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.604 -11.454 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.825 -9.729 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.890 -10.283 6.094 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.437 -10.164 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.596 -8.834 7.212 1.00 0.00 H new ATOM 1433 N SER A 89 -0.280 -11.834 3.667 1.00 0.00 N ATOM 1434 CA SER A 89 -1.733 -11.934 3.657 1.00 0.00 C ATOM 1435 C SER A 89 -2.176 -13.273 3.069 1.00 0.00 C ATOM 1436 O SER A 89 -3.198 -13.838 3.475 1.00 0.00 O ATOM 1437 CB SER A 89 -2.341 -10.773 2.861 1.00 0.00 C ATOM 1438 OG SER A 89 -3.757 -10.767 2.950 1.00 0.00 O ATOM 0 H SER A 89 0.103 -11.187 2.977 1.00 0.00 H new ATOM 0 HA SER A 89 -2.090 -11.876 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.948 -9.828 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.041 -10.851 1.816 1.00 0.00 H new ATOM 0 HG SER A 89 -4.114 -10.015 2.434 1.00 0.00 H new ATOM 1444 N TYR A 90 -1.397 -13.790 2.125 1.00 0.00 N ATOM 1445 CA TYR A 90 -1.712 -15.068 1.497 1.00 0.00 C ATOM 1446 C TYR A 90 -1.325 -16.235 2.400 1.00 0.00 C ATOM 1447 O TYR A 90 -2.168 -17.050 2.771 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.996 -15.211 0.152 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.474 -14.254 -0.915 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.748 -14.366 -1.460 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.646 -13.244 -1.385 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.184 -13.495 -2.439 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -1.074 -12.370 -2.363 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.342 -12.500 -2.888 1.00 0.00 C ATOM 1455 OH TYR A 90 -2.770 -11.630 -3.863 1.00 0.00 O ATOM 0 H TYR A 90 -0.546 -13.346 1.779 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.789 -15.089 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.073 -15.061 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.126 -16.232 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.408 -15.147 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.349 -13.141 -0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.178 -13.593 -2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.419 -11.587 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.057 -10.989 -4.065 1.00 0.00 H new ATOM 1465 N VAL A 91 -0.049 -16.295 2.767 1.00 0.00 N ATOM 1466 CA VAL A 91 0.483 -17.447 3.489 1.00 0.00 C ATOM 1467 C VAL A 91 0.324 -17.314 5.003 1.00 0.00 C ATOM 1468 O VAL A 91 0.510 -18.285 5.734 1.00 0.00 O ATOM 1469 CB VAL A 91 1.970 -17.685 3.149 1.00 0.00 C ATOM 1470 CG1 VAL A 91 2.128 -18.076 1.688 1.00 0.00 C ATOM 1471 CG2 VAL A 91 2.802 -16.449 3.462 1.00 0.00 C ATOM 0 H VAL A 91 0.635 -15.562 2.577 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.105 -18.305 3.161 1.00 0.00 H new ATOM 0 HB VAL A 91 2.332 -18.506 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.183 -18.240 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.570 -18.992 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.744 -17.277 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.846 -16.641 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.438 -15.607 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.718 -16.213 4.523 1.00 0.00 H new ATOM 1481 N HIS A 92 -0.026 -16.113 5.463 1.00 0.00 N ATOM 1482 CA HIS A 92 -0.210 -15.842 6.896 1.00 0.00 C ATOM 1483 C HIS A 92 1.088 -16.069 7.668 1.00 0.00 C ATOM 1484 O HIS A 92 1.076 -16.564 8.797 1.00 0.00 O ATOM 1485 CB HIS A 92 -1.330 -16.710 7.490 1.00 0.00 C ATOM 1486 CG HIS A 92 -2.690 -16.408 6.948 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -3.774 -17.243 7.119 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -3.144 -15.352 6.234 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -4.831 -16.715 6.531 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -4.476 -15.567 5.985 1.00 0.00 N ATOM 0 H HIS A 92 -0.190 -15.305 4.863 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.497 -14.795 6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -1.100 -17.759 7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.344 -16.576 8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.564 -14.497 5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.820 -17.149 6.502 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.091 -14.942 5.464 1.00 0.00 H new ATOM 1499 N HIS A 93 2.205 -15.680 7.065 1.00 0.00 N ATOM 1500 CA HIS A 93 3.514 -15.858 7.686 1.00 0.00 C ATOM 1501 C HIS A 93 3.837 -14.661 8.581 1.00 0.00 C ATOM 1502 O HIS A 93 4.763 -13.891 8.310 1.00 0.00 O ATOM 1503 CB HIS A 93 4.592 -16.045 6.611 1.00 0.00 C ATOM 1504 CG HIS A 93 5.894 -16.579 7.132 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.080 -17.899 7.471 1.00 0.00 N ATOM 1506 CD2 HIS A 93 7.083 -15.968 7.347 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.324 -18.080 7.870 1.00 0.00 C ATOM 1508 NE2 HIS A 93 7.956 -16.924 7.803 1.00 0.00 N ATOM 0 H HIS A 93 2.232 -15.239 6.146 1.00 0.00 H new ATOM 0 HA HIS A 93 3.494 -16.755 8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.213 -16.724 5.847 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.774 -15.087 6.124 1.00 0.00 H new ATOM 0 HD2 HIS A 93 7.304 -14.923 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.753 -19.016 8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.933 -16.766 8.050 1.00 0.00 H new ATOM 1517 N ILE A 94 3.034 -14.502 9.624 1.00 0.00 N ATOM 1518 CA ILE A 94 3.181 -13.419 10.585 1.00 0.00 C ATOM 1519 C ILE A 94 2.110 -13.571 11.663 1.00 0.00 C ATOM 1520 O ILE A 94 1.130 -14.292 11.465 1.00 0.00 O ATOM 1521 CB ILE A 94 3.060 -12.033 9.900 1.00 0.00 C ATOM 1522 CG1 ILE A 94 3.460 -10.910 10.867 1.00 0.00 C ATOM 1523 CG2 ILE A 94 1.645 -11.811 9.377 1.00 0.00 C ATOM 1524 CD1 ILE A 94 3.445 -9.532 10.242 1.00 0.00 C ATOM 0 H ILE A 94 2.255 -15.128 9.828 1.00 0.00 H new ATOM 0 HA ILE A 94 4.174 -13.475 11.032 1.00 0.00 H new ATOM 0 HB ILE A 94 3.745 -12.014 9.053 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.782 -10.919 11.720 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.459 -11.113 11.252 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.583 -10.833 8.900 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.400 -12.585 8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.939 -11.856 10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.738 -8.792 10.986 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.145 -9.504 9.407 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.441 -9.307 9.882 1.00 0.00 H new ATOM 1536 N HIS A 95 2.290 -12.921 12.803 1.00 0.00 N ATOM 1537 CA HIS A 95 1.335 -13.050 13.895 1.00 0.00 C ATOM 1538 C HIS A 95 0.361 -11.877 13.904 1.00 0.00 C ATOM 1539 O HIS A 95 0.631 -10.831 13.312 1.00 0.00 O ATOM 1540 CB HIS A 95 2.052 -13.186 15.239 1.00 0.00 C ATOM 1541 CG HIS A 95 2.867 -14.443 15.348 1.00 0.00 C ATOM 1542 ND1 HIS A 95 2.406 -15.603 15.939 1.00 0.00 N ATOM 1543 CD2 HIS A 95 4.117 -14.721 14.914 1.00 0.00 C ATOM 1544 CE1 HIS A 95 3.341 -16.535 15.863 1.00 0.00 C ATOM 1545 NE2 HIS A 95 4.388 -16.023 15.244 1.00 0.00 N ATOM 0 H HIS A 95 3.080 -12.305 12.996 1.00 0.00 H new ATOM 0 HA HIS A 95 0.759 -13.962 13.735 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.703 -12.324 15.385 1.00 0.00 H new ATOM 0 HB3 HIS A 95 1.314 -13.168 16.041 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.781 -14.041 14.401 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.261 -17.543 16.243 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.258 -16.516 15.044 1.00 0.00 H new ATOM 1554 N LYS A 96 -0.751 -12.062 14.608 1.00 0.00 N ATOM 1555 CA LYS A 96 -1.903 -11.161 14.536 1.00 0.00 C ATOM 1556 C LYS A 96 -1.553 -9.710 14.858 1.00 0.00 C ATOM 1557 O LYS A 96 -1.787 -8.817 14.043 1.00 0.00 O ATOM 1558 CB LYS A 96 -2.999 -11.638 15.492 1.00 0.00 C ATOM 1559 CG LYS A 96 -3.484 -13.050 15.209 1.00 0.00 C ATOM 1560 CD LYS A 96 -4.558 -13.482 16.196 1.00 0.00 C ATOM 1561 CE LYS A 96 -5.804 -12.616 16.089 1.00 0.00 C ATOM 1562 NZ LYS A 96 -6.823 -12.981 17.107 1.00 0.00 N ATOM 0 H LYS A 96 -0.882 -12.845 15.249 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.253 -11.188 13.504 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.623 -11.590 16.514 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.845 -10.954 15.431 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.879 -13.103 14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.643 -13.741 15.260 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.822 -14.524 16.013 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.163 -13.427 17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.529 -11.568 16.210 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.233 -12.720 15.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.656 -12.368 17.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.105 -13.973 16.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.422 -12.858 18.059 1.00 0.00 H new ATOM 1576 N LYS A 97 -0.988 -9.476 16.038 1.00 0.00 N ATOM 1577 CA LYS A 97 -0.785 -8.111 16.521 1.00 0.00 C ATOM 1578 C LYS A 97 0.194 -7.342 15.636 1.00 0.00 C ATOM 1579 O LYS A 97 0.048 -6.131 15.438 1.00 0.00 O ATOM 1580 CB LYS A 97 -0.293 -8.108 17.971 1.00 0.00 C ATOM 1581 CG LYS A 97 -0.469 -6.760 18.655 1.00 0.00 C ATOM 1582 CD LYS A 97 0.101 -6.754 20.062 1.00 0.00 C ATOM 1583 CE LYS A 97 -0.245 -5.463 20.792 1.00 0.00 C ATOM 1584 NZ LYS A 97 0.213 -4.258 20.050 1.00 0.00 N ATOM 0 H LYS A 97 -0.665 -10.205 16.674 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.751 -7.609 16.477 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.834 -8.869 18.534 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.761 -8.385 17.992 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.021 -5.987 18.063 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.529 -6.509 18.693 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.290 -7.606 20.619 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.184 -6.871 20.019 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.324 -5.409 20.939 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.212 -5.474 21.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.095 -3.416 20.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.216 -4.366 19.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.352 -4.148 19.184 1.00 0.00 H new ATOM 1598 N ARG A 98 1.179 -8.042 15.089 1.00 0.00 N ATOM 1599 CA ARG A 98 2.172 -7.404 14.235 1.00 0.00 C ATOM 1600 C ARG A 98 1.582 -7.127 12.856 1.00 0.00 C ATOM 1601 O ARG A 98 1.834 -6.075 12.270 1.00 0.00 O ATOM 1602 CB ARG A 98 3.432 -8.267 14.127 1.00 0.00 C ATOM 1603 CG ARG A 98 4.589 -7.587 13.400 1.00 0.00 C ATOM 1604 CD ARG A 98 4.891 -6.204 13.971 1.00 0.00 C ATOM 1605 NE ARG A 98 5.102 -6.233 15.421 1.00 0.00 N ATOM 1606 CZ ARG A 98 5.256 -5.146 16.178 1.00 0.00 C ATOM 1607 NH1 ARG A 98 5.311 -3.943 15.618 1.00 0.00 N ATOM 1608 NH2 ARG A 98 5.374 -5.270 17.495 1.00 0.00 N ATOM 0 H ARG A 98 1.312 -9.045 15.220 1.00 0.00 H new ATOM 0 HA ARG A 98 2.457 -6.453 14.685 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.758 -8.543 15.130 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.183 -9.192 13.607 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.480 -8.211 13.473 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.348 -7.497 12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.779 -5.799 13.485 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.066 -5.530 13.740 1.00 0.00 H new ATOM 0 HE ARG A 98 5.133 -7.143 15.881 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.235 -3.848 14.605 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.429 -3.114 16.201 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.347 -6.195 17.925 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.492 -4.441 18.077 1.00 0.00 H new ATOM 1622 N PHE A 99 0.780 -8.066 12.354 1.00 0.00 N ATOM 1623 CA PHE A 99 0.095 -7.880 11.077 1.00 0.00 C ATOM 1624 C PHE A 99 -0.826 -6.669 11.154 1.00 0.00 C ATOM 1625 O PHE A 99 -0.857 -5.836 10.244 1.00 0.00 O ATOM 1626 CB PHE A 99 -0.710 -9.132 10.709 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.433 -9.028 9.394 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -0.793 -9.353 8.210 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -2.750 -8.596 9.340 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.452 -9.258 7.000 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -3.414 -8.496 8.133 1.00 0.00 C ATOM 1632 CZ PHE A 99 -2.763 -8.823 6.962 1.00 0.00 C ATOM 0 H PHE A 99 0.590 -8.958 12.810 1.00 0.00 H new ATOM 0 HA PHE A 99 0.843 -7.711 10.302 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.036 -9.988 10.675 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.437 -9.329 11.497 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.234 -9.685 8.233 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.263 -8.334 10.254 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.943 -9.523 6.085 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.441 -8.162 8.106 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.277 -8.739 6.016 1.00 0.00 H new ATOM 1642 N LYS A 100 -1.567 -6.577 12.254 1.00 0.00 N ATOM 1643 CA LYS A 100 -2.474 -5.463 12.484 1.00 0.00 C ATOM 1644 C LYS A 100 -1.688 -4.154 12.523 1.00 0.00 C ATOM 1645 O LYS A 100 -2.101 -3.157 11.934 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.241 -5.681 13.801 1.00 0.00 C ATOM 1647 CG LYS A 100 -4.520 -4.856 13.941 1.00 0.00 C ATOM 1648 CD LYS A 100 -4.245 -3.383 14.223 1.00 0.00 C ATOM 1649 CE LYS A 100 -3.548 -3.179 15.562 1.00 0.00 C ATOM 1650 NZ LYS A 100 -3.319 -1.739 15.855 1.00 0.00 N ATOM 0 H LYS A 100 -1.555 -7.268 13.004 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.195 -5.406 11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.495 -6.737 13.886 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.579 -5.444 14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.105 -4.943 13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.127 -5.269 14.747 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.627 -2.971 13.426 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.185 -2.831 14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.151 -3.619 16.356 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.593 -3.705 15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.843 -1.643 16.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.722 -1.324 15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.232 -1.241 15.884 1.00 0.00 H new ATOM 1664 N ASP A 101 -0.547 -4.179 13.204 1.00 0.00 N ATOM 1665 CA ASP A 101 0.307 -3.001 13.334 1.00 0.00 C ATOM 1666 C ASP A 101 0.759 -2.502 11.970 1.00 0.00 C ATOM 1667 O ASP A 101 0.603 -1.321 11.648 1.00 0.00 O ATOM 1668 CB ASP A 101 1.532 -3.320 14.192 1.00 0.00 C ATOM 1669 CG ASP A 101 2.419 -2.111 14.410 1.00 0.00 C ATOM 1670 OD1 ASP A 101 3.338 -1.881 13.591 1.00 0.00 O ATOM 1671 OD2 ASP A 101 2.203 -1.390 15.406 1.00 0.00 O ATOM 0 H ASP A 101 -0.189 -5.008 13.678 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.278 -2.219 13.818 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.205 -3.705 15.158 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.111 -4.110 13.713 1.00 0.00 H new ATOM 1676 N ILE A 102 1.305 -3.415 11.174 1.00 0.00 N ATOM 1677 CA ILE A 102 1.777 -3.086 9.836 1.00 0.00 C ATOM 1678 C ILE A 102 0.632 -2.573 8.971 1.00 0.00 C ATOM 1679 O ILE A 102 0.744 -1.519 8.345 1.00 0.00 O ATOM 1680 CB ILE A 102 2.435 -4.307 9.159 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.658 -4.754 9.965 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.831 -3.980 7.723 1.00 0.00 C ATOM 1683 CD1 ILE A 102 4.329 -5.997 9.425 1.00 0.00 C ATOM 0 H ILE A 102 1.432 -4.393 11.435 1.00 0.00 H new ATOM 0 HA ILE A 102 2.526 -2.301 9.937 1.00 0.00 H new ATOM 0 HB ILE A 102 1.713 -5.123 9.132 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.384 -3.941 9.985 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.354 -4.936 10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.293 -4.855 7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.944 -3.699 7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.540 -3.152 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.186 -6.249 10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.620 -6.825 9.431 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.666 -5.815 8.404 1.00 0.00 H new ATOM 1695 N THR A 103 -0.476 -3.306 8.967 1.00 0.00 N ATOM 1696 CA THR A 103 -1.650 -2.916 8.194 1.00 0.00 C ATOM 1697 C THR A 103 -2.117 -1.514 8.581 1.00 0.00 C ATOM 1698 O THR A 103 -2.362 -0.671 7.719 1.00 0.00 O ATOM 1699 CB THR A 103 -2.806 -3.920 8.393 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.363 -5.243 8.060 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.010 -3.554 7.535 1.00 0.00 C ATOM 0 H THR A 103 -0.586 -4.174 9.491 1.00 0.00 H new ATOM 0 HA THR A 103 -1.362 -2.916 7.143 1.00 0.00 H new ATOM 0 HB THR A 103 -3.108 -3.884 9.440 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.930 -5.649 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.807 -4.280 7.698 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.363 -2.560 7.809 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.723 -3.560 6.484 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.205 -1.264 9.882 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.626 0.025 10.394 1.00 0.00 C ATOM 1711 C GLU A 104 -1.669 1.121 9.945 1.00 0.00 C ATOM 1712 O GLU A 104 -2.093 2.158 9.440 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.675 -0.039 11.914 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.229 1.207 12.563 1.00 0.00 C ATOM 1715 CD GLU A 104 -3.239 1.111 14.072 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -2.146 1.048 14.673 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -4.338 1.087 14.666 1.00 0.00 O ATOM 0 H GLU A 104 -1.986 -1.949 10.605 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.616 0.261 10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.283 -0.893 12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.669 -0.217 12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.633 2.068 12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.244 1.380 12.205 1.00 0.00 H new ATOM 1724 N SER A 105 -0.380 0.869 10.125 1.00 0.00 N ATOM 1725 CA SER A 105 0.660 1.816 9.724 1.00 0.00 C ATOM 1726 C SER A 105 0.542 2.159 8.238 1.00 0.00 C ATOM 1727 O SER A 105 0.615 3.330 7.852 1.00 0.00 O ATOM 1728 CB SER A 105 2.044 1.231 10.025 1.00 0.00 C ATOM 1729 OG SER A 105 3.074 2.168 9.751 1.00 0.00 O ATOM 0 H SER A 105 -0.024 0.012 10.549 1.00 0.00 H new ATOM 0 HA SER A 105 0.529 2.735 10.296 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.093 0.930 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.199 0.333 9.427 1.00 0.00 H new ATOM 0 HG SER A 105 3.944 1.766 9.954 1.00 0.00 H new ATOM 1735 N VAL A 106 0.349 1.134 7.410 1.00 0.00 N ATOM 1736 CA VAL A 106 0.210 1.325 5.969 1.00 0.00 C ATOM 1737 C VAL A 106 -1.044 2.135 5.644 1.00 0.00 C ATOM 1738 O VAL A 106 -0.963 3.164 4.973 1.00 0.00 O ATOM 1739 CB VAL A 106 0.172 -0.025 5.211 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.075 0.194 3.724 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.475 -0.785 5.420 1.00 0.00 C ATOM 0 H VAL A 106 0.285 0.162 7.713 1.00 0.00 H new ATOM 0 HA VAL A 106 1.088 1.878 5.636 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.651 -0.617 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.097 -0.769 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.030 0.701 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.725 0.807 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.434 -1.732 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.308 -0.190 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.617 -0.978 6.483 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.194 1.682 6.140 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.465 2.361 5.880 1.00 0.00 C ATOM 1753 C LEU A 107 -3.444 3.800 6.382 1.00 0.00 C ATOM 1754 O LEU A 107 -3.921 4.706 5.697 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.637 1.603 6.519 1.00 0.00 C ATOM 1756 CG LEU A 107 -5.284 0.522 5.643 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.836 1.131 4.365 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -4.295 -0.586 5.322 1.00 0.00 C ATOM 0 H LEU A 107 -2.273 0.849 6.723 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.604 2.377 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.286 1.137 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.404 2.325 6.799 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.110 0.084 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.291 0.349 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.587 1.880 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.026 1.601 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.780 -1.338 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.442 -0.169 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.952 -1.047 6.248 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.894 4.009 7.573 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.800 5.348 8.145 1.00 0.00 C ATOM 1772 C TYR A 108 -1.979 6.253 7.234 1.00 0.00 C ATOM 1773 O TYR A 108 -2.384 7.374 6.928 1.00 0.00 O ATOM 1774 CB TYR A 108 -2.174 5.297 9.543 1.00 0.00 C ATOM 1775 CG TYR A 108 -2.158 6.632 10.255 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -3.278 7.087 10.940 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -1.027 7.440 10.243 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -3.272 8.304 11.592 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -1.012 8.660 10.894 1.00 0.00 C ATOM 1780 CZ TYR A 108 -2.138 9.088 11.565 1.00 0.00 C ATOM 1781 OH TYR A 108 -2.128 10.300 12.217 1.00 0.00 O ATOM 0 H TYR A 108 -2.507 3.270 8.160 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.807 5.756 8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.724 4.578 10.151 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.152 4.928 9.460 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.169 6.478 10.963 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.144 7.109 9.716 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.152 8.640 12.121 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.124 9.274 10.877 1.00 0.00 H new ATOM 0 HH TYR A 108 -1.253 10.727 12.101 1.00 0.00 H new ATOM 1791 N THR A 109 -0.839 5.749 6.787 1.00 0.00 N ATOM 1792 CA THR A 109 0.025 6.503 5.897 1.00 0.00 C ATOM 1793 C THR A 109 -0.663 6.749 4.553 1.00 0.00 C ATOM 1794 O THR A 109 -0.584 7.845 4.002 1.00 0.00 O ATOM 1795 CB THR A 109 1.366 5.782 5.679 1.00 0.00 C ATOM 1796 OG1 THR A 109 1.976 5.506 6.949 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.312 6.625 4.834 1.00 0.00 C ATOM 0 H THR A 109 -0.492 4.820 7.027 1.00 0.00 H new ATOM 0 HA THR A 109 0.226 7.464 6.370 1.00 0.00 H new ATOM 0 HB THR A 109 1.170 4.850 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.513 4.757 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.252 6.090 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.858 6.817 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.504 7.572 5.338 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.361 5.737 4.042 1.00 0.00 N ATOM 1806 CA LEU A 110 -2.106 5.872 2.792 1.00 0.00 C ATOM 1807 C LEU A 110 -3.168 6.960 2.913 1.00 0.00 C ATOM 1808 O LEU A 110 -3.353 7.758 1.998 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.759 4.542 2.398 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.786 3.424 2.016 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.547 2.148 1.696 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.926 3.842 0.832 1.00 0.00 C ATOM 0 H LEU A 110 -1.426 4.815 4.474 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.400 6.156 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.374 4.198 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.430 4.720 1.558 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.129 3.234 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.842 1.362 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.120 1.837 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.226 2.328 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.241 3.033 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.566 4.060 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.354 4.732 1.094 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.847 6.992 4.056 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.853 8.022 4.325 1.00 0.00 C ATOM 1826 C HIS A 111 -4.209 9.402 4.321 1.00 0.00 C ATOM 1827 O HIS A 111 -4.783 10.368 3.814 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.537 7.782 5.676 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.478 6.610 5.701 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.290 6.324 6.777 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.746 5.659 4.771 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -8.016 5.253 6.508 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.708 4.830 5.296 1.00 0.00 N ATOM 0 H HIS A 111 -3.721 6.319 4.812 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.605 7.969 3.538 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.770 7.631 6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.089 8.680 5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.288 5.570 3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -8.740 4.800 7.169 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -8.116 4.022 4.827 1.00 0.00 H new ATOM 1842 N ALA A 112 -3.008 9.476 4.878 1.00 0.00 N ATOM 1843 CA ALA A 112 -2.270 10.725 4.969 1.00 0.00 C ATOM 1844 C ALA A 112 -1.847 11.222 3.590 1.00 0.00 C ATOM 1845 O ALA A 112 -2.031 12.393 3.260 1.00 0.00 O ATOM 1846 CB ALA A 112 -1.051 10.537 5.857 1.00 0.00 C ATOM 0 H ALA A 112 -2.521 8.674 5.278 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.925 11.478 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.500 11.475 5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.370 10.233 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.407 9.767 5.432 1.00 0.00 H new ATOM 1852 N VAL A 113 -1.303 10.318 2.781 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.795 10.679 1.465 1.00 0.00 C ATOM 1854 C VAL A 113 -1.949 11.061 0.551 1.00 0.00 C ATOM 1855 O VAL A 113 -1.893 12.063 -0.161 1.00 0.00 O ATOM 1856 CB VAL A 113 0.008 9.519 0.826 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.560 9.927 -0.531 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.135 9.080 1.746 1.00 0.00 C ATOM 0 H VAL A 113 -1.203 9.330 3.015 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.124 11.529 1.590 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.669 8.677 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.120 9.096 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.264 10.191 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.220 10.787 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.688 8.264 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.807 9.919 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.719 8.741 2.695 1.00 0.00 H new ATOM 1868 N LYS A 114 -3.004 10.263 0.613 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.202 10.480 -0.183 1.00 0.00 C ATOM 1870 C LYS A 114 -4.750 11.889 0.055 1.00 0.00 C ATOM 1871 O LYS A 114 -5.085 12.607 -0.894 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.240 9.411 0.195 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.422 9.268 -0.764 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.430 10.401 -0.633 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.658 10.163 -1.500 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.300 9.938 -2.925 1.00 0.00 N ATOM 0 H LYS A 114 -3.053 9.444 1.219 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.967 10.395 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.734 8.448 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.627 9.641 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.051 9.235 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.923 8.319 -0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.734 10.500 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.959 11.342 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.206 9.299 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.326 11.021 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.139 9.614 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.955 10.827 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.555 9.215 -2.986 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.819 12.287 1.322 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.354 13.597 1.676 1.00 0.00 C ATOM 1892 C ASP A 115 -4.476 14.701 1.108 1.00 0.00 C ATOM 1893 O ASP A 115 -4.959 15.560 0.379 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.454 13.757 3.203 1.00 0.00 C ATOM 1895 CG ASP A 115 -6.196 15.018 3.636 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.164 16.034 2.916 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -6.851 14.992 4.698 1.00 0.00 O ATOM 0 H ASP A 115 -4.513 11.725 2.116 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.354 13.674 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.960 12.886 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.449 13.773 3.625 1.00 0.00 H new ATOM 1902 N GLU A 116 -3.180 14.636 1.394 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.265 15.718 1.044 1.00 0.00 C ATOM 1904 C GLU A 116 -2.097 15.859 -0.470 1.00 0.00 C ATOM 1905 O GLU A 116 -1.956 16.977 -0.980 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.914 15.528 1.741 1.00 0.00 C ATOM 1907 CG GLU A 116 -1.033 15.511 3.258 1.00 0.00 C ATOM 1908 CD GLU A 116 0.276 15.783 3.966 1.00 0.00 C ATOM 1909 OE1 GLU A 116 0.707 16.953 3.981 1.00 0.00 O ATOM 1910 OE2 GLU A 116 0.860 14.840 4.544 1.00 0.00 O ATOM 0 H GLU A 116 -2.739 13.847 1.867 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.705 16.650 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.465 14.593 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.240 16.331 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.766 16.257 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.414 14.540 3.574 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.143 14.745 -1.192 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.084 14.798 -2.649 1.00 0.00 C ATOM 1919 C ILE A 117 -3.274 15.583 -3.193 1.00 0.00 C ATOM 1920 O ILE A 117 -3.123 16.404 -4.091 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.061 13.394 -3.295 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -0.801 12.627 -2.885 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.130 13.507 -4.811 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -0.725 11.231 -3.474 1.00 0.00 C ATOM 0 H ILE A 117 -2.220 13.806 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.150 15.297 -2.909 1.00 0.00 H new ATOM 0 HB ILE A 117 -2.932 12.844 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 117 0.077 13.193 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.765 12.557 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.113 12.510 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.052 14.014 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.275 14.078 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.193 10.746 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -1.584 10.649 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -0.729 11.295 -4.562 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.451 15.346 -2.627 1.00 0.00 N ATOM 1937 CA ALA A 118 -5.645 16.063 -3.053 1.00 0.00 C ATOM 1938 C ALA A 118 -5.709 17.442 -2.396 1.00 0.00 C ATOM 1939 O ALA A 118 -6.382 18.349 -2.883 1.00 0.00 O ATOM 1940 CB ALA A 118 -6.888 15.251 -2.722 1.00 0.00 C ATOM 0 H ALA A 118 -4.603 14.669 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.600 16.206 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.775 15.796 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.844 14.292 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.937 15.083 -1.646 1.00 0.00 H new ATOM 1946 N ARG A 119 -4.992 17.594 -1.290 1.00 0.00 N ATOM 1947 CA ARG A 119 -4.975 18.845 -0.541 1.00 0.00 C ATOM 1948 C ARG A 119 -3.853 19.761 -1.033 1.00 0.00 C ATOM 1949 O ARG A 119 -3.598 20.814 -0.447 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.807 18.556 0.957 1.00 0.00 C ATOM 1951 CG ARG A 119 -5.026 19.769 1.853 1.00 0.00 C ATOM 1952 CD ARG A 119 -4.731 19.464 3.315 1.00 0.00 C ATOM 1953 NE ARG A 119 -5.623 18.446 3.866 1.00 0.00 N ATOM 1954 CZ ARG A 119 -6.424 18.649 4.913 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -6.514 19.853 5.468 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -7.147 17.648 5.400 1.00 0.00 N ATOM 0 H ARG A 119 -4.409 16.859 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.924 19.356 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.508 17.773 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.804 18.166 1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.387 20.586 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -6.057 20.109 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.698 19.128 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.825 20.379 3.900 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.634 17.527 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -5.968 20.629 5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.129 20.001 6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.090 16.723 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.759 17.804 6.201 1.00 0.00 H new ATOM 1970 N GLU A 120 -3.164 19.344 -2.097 1.00 0.00 N ATOM 1971 CA GLU A 120 -2.164 20.199 -2.740 1.00 0.00 C ATOM 1972 C GLU A 120 -2.763 21.568 -3.072 1.00 0.00 C ATOM 1973 O GLU A 120 -2.081 22.594 -2.986 1.00 0.00 O ATOM 1974 CB GLU A 120 -1.596 19.551 -4.010 1.00 0.00 C ATOM 1975 CG GLU A 120 -2.623 19.311 -5.104 1.00 0.00 C ATOM 1976 CD GLU A 120 -1.988 18.865 -6.404 1.00 0.00 C ATOM 1977 OE1 GLU A 120 -1.791 17.649 -6.594 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -1.676 19.731 -7.246 1.00 0.00 O ATOM 0 H GLU A 120 -3.278 18.427 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.343 20.329 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.804 20.187 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.137 18.599 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.334 18.554 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.189 20.227 -5.275 1.00 0.00 H new