USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 58 ASN : amide:sc= -4.04! C(o=-3.2!,f=-6.4!) USER MOD Set 1.2: A 60 TYR OH : rot -39:sc= 0.845 USER MOD Set 2.1: A 18 SER OG : rot -140:sc= 0.278 USER MOD Set 2.2: A 32 HIS : no HE2:sc= -10.4! C(o=-14!,f=-21!) USER MOD Set 2.3: A 36 HIS : no HE2:sc= -3.44 K(o=-14,f=-20!) USER MOD Set 3.1: A 14 GLN : amide:sc= -2.32! K(o=-7.4!,f=-2.4) USER MOD Set 3.2: A 37 TYR OH : rot 130:sc= -5.1! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -115:sc= 0.12 USER MOD Single : A 10 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.8!) USER MOD Single : A 17 SER OG : rot -54:sc= -2.9! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -2.35! C(o=-2.4!,f=-6.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -87:sc= 0.352 USER MOD Single : A 34 THR OG1 : rot -63:sc= 0.025 USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0482) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -28:sc=0.000672 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -9.39! C(o=-9.4!,f=-8.2!) USER MOD Single : A 49 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.37) USER MOD Single : A 50 SER OG : rot 131:sc= -1.2! USER MOD Single : A 53 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.39) USER MOD Single : A 54 ASN : amide:sc= -9.19! C(o=-9.2!,f=-6.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0697 K(o=-0.07,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 8.273 4.036 -11.983 1.00 0.00 N ATOM 80 CA TYR A 6 6.884 3.769 -11.517 1.00 0.00 C ATOM 81 C TYR A 6 6.272 5.034 -10.917 1.00 0.00 C ATOM 82 O TYR A 6 6.953 6.001 -10.639 1.00 0.00 O ATOM 83 CB TYR A 6 6.912 2.666 -10.467 1.00 0.00 C ATOM 84 CG TYR A 6 7.792 1.548 -10.957 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.637 1.060 -12.260 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.760 0.999 -10.113 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.453 0.020 -12.719 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.578 -0.042 -10.569 1.00 0.00 C ATOM 89 CZ TYR A 6 9.423 -0.533 -11.873 1.00 0.00 C ATOM 90 OH TYR A 6 10.228 -1.561 -12.324 1.00 0.00 O ATOM 0 HA TYR A 6 6.276 3.457 -12.366 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.289 3.055 -9.521 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.903 2.298 -10.281 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.888 1.486 -12.911 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.878 1.378 -9.108 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.335 -0.356 -13.725 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.327 -0.466 -9.917 1.00 0.00 H new ATOM 0 HH TYR A 6 10.847 -1.828 -11.613 1.00 0.00 H new ATOM 100 N SER A 7 4.983 5.026 -10.724 1.00 0.00 N ATOM 101 CA SER A 7 4.297 6.214 -10.149 1.00 0.00 C ATOM 102 C SER A 7 3.181 5.734 -9.223 1.00 0.00 C ATOM 103 O SER A 7 2.648 4.659 -9.393 1.00 0.00 O ATOM 104 CB SER A 7 3.707 7.041 -11.286 1.00 0.00 C ATOM 105 OG SER A 7 4.165 8.383 -11.178 1.00 0.00 O ATOM 0 H SER A 7 4.371 4.240 -10.942 1.00 0.00 H new ATOM 0 HA SER A 7 5.001 6.826 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.001 6.620 -12.248 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.618 7.012 -11.245 1.00 0.00 H new ATOM 0 HG SER A 7 3.789 8.917 -11.909 1.00 0.00 H new ATOM 111 N TYR A 8 2.830 6.514 -8.237 1.00 0.00 N ATOM 112 CA TYR A 8 1.758 6.087 -7.293 1.00 0.00 C ATOM 113 C TYR A 8 0.426 5.945 -8.034 1.00 0.00 C ATOM 114 O TYR A 8 -0.489 6.727 -7.866 1.00 0.00 O ATOM 115 CB TYR A 8 1.635 7.114 -6.173 1.00 0.00 C ATOM 116 CG TYR A 8 3.017 7.440 -5.663 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.977 6.426 -5.571 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.339 8.747 -5.287 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.262 6.718 -5.102 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.625 9.042 -4.818 1.00 0.00 C ATOM 121 CZ TYR A 8 5.587 8.027 -4.725 1.00 0.00 C ATOM 122 OH TYR A 8 6.854 8.318 -4.263 1.00 0.00 O ATOM 0 H TYR A 8 3.239 7.428 -8.044 1.00 0.00 H new ATOM 0 HA TYR A 8 2.017 5.118 -6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.145 8.016 -6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.017 6.721 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.725 5.417 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.597 9.528 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.003 5.935 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.876 10.052 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 8 6.805 8.592 -3.323 1.00 0.00 H new ATOM 132 N ALA A 9 0.326 4.934 -8.847 1.00 0.00 N ATOM 133 CA ALA A 9 -0.922 4.677 -9.622 1.00 0.00 C ATOM 134 C ALA A 9 -0.682 3.436 -10.478 1.00 0.00 C ATOM 135 O ALA A 9 -1.404 2.461 -10.405 1.00 0.00 O ATOM 136 CB ALA A 9 -1.236 5.875 -10.516 1.00 0.00 C ATOM 0 H ALA A 9 1.072 4.259 -9.012 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.767 4.523 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.149 5.680 -11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.373 6.763 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.411 6.038 -11.209 1.00 0.00 H new ATOM 142 N GLN A 10 0.365 3.455 -11.256 1.00 0.00 N ATOM 143 CA GLN A 10 0.718 2.273 -12.086 1.00 0.00 C ATOM 144 C GLN A 10 1.642 1.421 -11.234 1.00 0.00 C ATOM 145 O GLN A 10 1.648 0.207 -11.300 1.00 0.00 O ATOM 146 CB GLN A 10 1.444 2.728 -13.355 1.00 0.00 C ATOM 147 CG GLN A 10 2.796 3.341 -12.981 1.00 0.00 C ATOM 148 CD GLN A 10 3.644 3.520 -14.242 1.00 0.00 C ATOM 149 OE1 GLN A 10 3.234 4.181 -15.176 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.818 2.954 -14.310 1.00 0.00 N ATOM 0 H GLN A 10 0.997 4.250 -11.352 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.168 1.716 -12.391 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.590 1.881 -14.026 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.838 3.458 -13.891 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.647 4.303 -12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.314 2.698 -12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.163 2.399 -13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.391 3.067 -15.146 1.00 0.00 H new ATOM 159 N LEU A 11 2.400 2.074 -10.397 1.00 0.00 N ATOM 160 CA LEU A 11 3.311 1.356 -9.479 1.00 0.00 C ATOM 161 C LEU A 11 2.469 0.357 -8.689 1.00 0.00 C ATOM 162 O LEU A 11 2.882 -0.752 -8.411 1.00 0.00 O ATOM 163 CB LEU A 11 3.940 2.384 -8.541 1.00 0.00 C ATOM 164 CG LEU A 11 4.567 1.695 -7.338 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.067 1.954 -7.338 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.962 2.280 -6.068 1.00 0.00 C ATOM 0 H LEU A 11 2.423 3.090 -10.314 1.00 0.00 H new ATOM 0 HA LEU A 11 4.101 0.829 -10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.698 2.957 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.182 3.092 -8.207 1.00 0.00 H new ATOM 0 HG LEU A 11 4.379 0.622 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.521 1.462 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.504 1.559 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.251 3.027 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.403 1.794 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.165 3.350 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.885 2.115 -6.069 1.00 0.00 H new ATOM 178 N ILE A 12 1.270 0.748 -8.354 1.00 0.00 N ATOM 179 CA ILE A 12 0.353 -0.165 -7.610 1.00 0.00 C ATOM 180 C ILE A 12 -0.104 -1.263 -8.562 1.00 0.00 C ATOM 181 O ILE A 12 -0.071 -2.436 -8.248 1.00 0.00 O ATOM 182 CB ILE A 12 -0.890 0.591 -7.150 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.501 1.945 -6.536 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.649 -0.261 -6.129 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.072 1.748 -5.132 1.00 0.00 C ATOM 0 H ILE A 12 0.882 1.668 -8.565 1.00 0.00 H new ATOM 0 HA ILE A 12 0.879 -0.571 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.533 0.783 -8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.234 2.441 -7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.374 2.596 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.538 0.275 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.944 -1.204 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.006 -0.462 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.343 2.716 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.676 1.272 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.958 1.115 -5.186 1.00 0.00 H new ATOM 197 N VAL A 13 -0.544 -0.876 -9.729 1.00 0.00 N ATOM 198 CA VAL A 13 -1.019 -1.876 -10.718 1.00 0.00 C ATOM 199 C VAL A 13 0.032 -2.969 -10.856 1.00 0.00 C ATOM 200 O VAL A 13 -0.259 -4.138 -10.712 1.00 0.00 O ATOM 201 CB VAL A 13 -1.215 -1.191 -12.067 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.627 -2.230 -13.111 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.303 -0.126 -11.938 1.00 0.00 C ATOM 0 H VAL A 13 -0.594 0.095 -10.038 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.963 -2.309 -10.388 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.283 -0.720 -12.380 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.767 -1.741 -14.075 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.848 -2.987 -13.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.560 -2.703 -12.805 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.446 0.366 -12.900 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.237 -0.595 -11.628 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.003 0.612 -11.194 1.00 0.00 H new ATOM 213 N GLN A 14 1.255 -2.607 -11.110 1.00 0.00 N ATOM 214 CA GLN A 14 2.306 -3.647 -11.227 1.00 0.00 C ATOM 215 C GLN A 14 2.296 -4.463 -9.938 1.00 0.00 C ATOM 216 O GLN A 14 2.665 -5.621 -9.915 1.00 0.00 O ATOM 217 CB GLN A 14 3.671 -2.986 -11.408 1.00 0.00 C ATOM 218 CG GLN A 14 4.492 -3.790 -12.415 1.00 0.00 C ATOM 219 CD GLN A 14 5.970 -3.429 -12.269 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.804 -4.294 -12.087 1.00 0.00 O ATOM 221 NE2 GLN A 14 6.329 -2.179 -12.339 1.00 0.00 N ATOM 0 H GLN A 14 1.569 -1.645 -11.240 1.00 0.00 H new ATOM 0 HA GLN A 14 2.115 -4.288 -12.088 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.548 -1.961 -11.758 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.193 -2.936 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.349 -4.858 -12.248 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.153 -3.578 -13.429 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.627 -1.455 -12.492 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.312 -1.924 -12.241 1.00 0.00 H new ATOM 230 N ALA A 15 1.858 -3.861 -8.865 1.00 0.00 N ATOM 231 CA ALA A 15 1.797 -4.586 -7.570 1.00 0.00 C ATOM 232 C ALA A 15 0.692 -5.645 -7.628 1.00 0.00 C ATOM 233 O ALA A 15 0.952 -6.826 -7.517 1.00 0.00 O ATOM 234 CB ALA A 15 1.500 -3.596 -6.441 1.00 0.00 C ATOM 0 H ALA A 15 1.539 -2.893 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 15 2.754 -5.072 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.456 -4.130 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.289 -2.845 -6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.544 -3.107 -6.628 1.00 0.00 H new ATOM 240 N ILE A 16 -0.544 -5.239 -7.795 1.00 0.00 N ATOM 241 CA ILE A 16 -1.642 -6.256 -7.843 1.00 0.00 C ATOM 242 C ILE A 16 -1.675 -6.956 -9.201 1.00 0.00 C ATOM 243 O ILE A 16 -2.013 -8.120 -9.292 1.00 0.00 O ATOM 244 CB ILE A 16 -3.013 -5.627 -7.576 1.00 0.00 C ATOM 245 CG1 ILE A 16 -3.180 -4.284 -8.298 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.186 -5.408 -6.073 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.208 -4.478 -9.814 1.00 0.00 C ATOM 0 H ILE A 16 -0.837 -4.267 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.431 -6.983 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.771 -6.312 -7.957 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.103 -3.804 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.361 -3.617 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.161 -4.960 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.117 -6.365 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.403 -4.742 -5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.327 -3.511 -10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.274 -4.936 -10.139 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.043 -5.125 -10.083 1.00 0.00 H new ATOM 259 N SER A 17 -1.321 -6.281 -10.253 1.00 0.00 N ATOM 260 CA SER A 17 -1.335 -6.949 -11.581 1.00 0.00 C ATOM 261 C SER A 17 -0.447 -8.173 -11.482 1.00 0.00 C ATOM 262 O SER A 17 -0.631 -9.166 -12.157 1.00 0.00 O ATOM 263 CB SER A 17 -0.765 -6.015 -12.640 1.00 0.00 C ATOM 264 OG SER A 17 0.550 -5.632 -12.267 1.00 0.00 O ATOM 0 H SER A 17 -1.025 -5.305 -10.254 1.00 0.00 H new ATOM 0 HA SER A 17 -2.355 -7.217 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.750 -6.512 -13.610 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.398 -5.133 -12.743 1.00 0.00 H new ATOM 0 HG SER A 17 0.537 -5.257 -11.362 1.00 0.00 H new ATOM 270 N SER A 18 0.525 -8.081 -10.632 1.00 0.00 N ATOM 271 CA SER A 18 1.475 -9.209 -10.443 1.00 0.00 C ATOM 272 C SER A 18 0.982 -10.122 -9.318 1.00 0.00 C ATOM 273 O SER A 18 1.474 -11.219 -9.146 1.00 0.00 O ATOM 274 CB SER A 18 2.854 -8.657 -10.081 1.00 0.00 C ATOM 275 OG SER A 18 3.523 -9.581 -9.234 1.00 0.00 O ATOM 0 H SER A 18 0.708 -7.263 -10.050 1.00 0.00 H new ATOM 0 HA SER A 18 1.540 -9.782 -11.368 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.439 -8.486 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.753 -7.694 -9.580 1.00 0.00 H new ATOM 0 HG SER A 18 4.001 -9.093 -8.531 1.00 0.00 H new ATOM 281 N ALA A 19 0.012 -9.693 -8.551 1.00 0.00 N ATOM 282 CA ALA A 19 -0.484 -10.568 -7.454 1.00 0.00 C ATOM 283 C ALA A 19 -1.571 -11.491 -8.008 1.00 0.00 C ATOM 284 O ALA A 19 -2.490 -11.040 -8.663 1.00 0.00 O ATOM 285 CB ALA A 19 -1.070 -9.702 -6.336 1.00 0.00 C ATOM 0 H ALA A 19 -0.450 -8.788 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 19 0.338 -11.163 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.433 -10.342 -5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.298 -9.036 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.896 -9.110 -6.730 1.00 0.00 H new ATOM 291 N GLN A 20 -1.483 -12.778 -7.757 1.00 0.00 N ATOM 292 CA GLN A 20 -2.529 -13.705 -8.278 1.00 0.00 C ATOM 293 C GLN A 20 -3.895 -13.055 -8.064 1.00 0.00 C ATOM 294 O GLN A 20 -4.621 -12.787 -9.000 1.00 0.00 O ATOM 295 CB GLN A 20 -2.463 -15.040 -7.529 1.00 0.00 C ATOM 296 CG GLN A 20 -3.720 -15.858 -7.829 1.00 0.00 C ATOM 297 CD GLN A 20 -3.636 -17.207 -7.111 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.563 -18.242 -7.743 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.644 -17.240 -5.805 1.00 0.00 N ATOM 0 H GLN A 20 -0.737 -13.219 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.367 -13.895 -9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.575 -15.595 -7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.379 -14.863 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.607 -15.315 -7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.819 -16.012 -8.904 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.705 -16.372 -5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.589 -18.134 -5.317 1.00 0.00 H new ATOM 308 N ASP A 21 -4.229 -12.760 -6.838 1.00 0.00 N ATOM 309 CA ASP A 21 -5.523 -12.082 -6.562 1.00 0.00 C ATOM 310 C ASP A 21 -5.276 -10.573 -6.586 1.00 0.00 C ATOM 311 O ASP A 21 -4.645 -10.041 -5.698 1.00 0.00 O ATOM 312 CB ASP A 21 -6.041 -12.485 -5.180 1.00 0.00 C ATOM 313 CG ASP A 21 -4.954 -12.235 -4.133 1.00 0.00 C ATOM 314 OD1 ASP A 21 -3.790 -12.290 -4.492 1.00 0.00 O ATOM 315 OD2 ASP A 21 -5.305 -11.990 -2.991 1.00 0.00 O ATOM 0 H ASP A 21 -3.660 -12.960 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.262 -12.367 -7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.935 -11.913 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.326 -13.537 -5.180 1.00 0.00 H new ATOM 320 N ARG A 22 -5.745 -9.881 -7.592 1.00 0.00 N ATOM 321 CA ARG A 22 -5.514 -8.407 -7.657 1.00 0.00 C ATOM 322 C ARG A 22 -6.128 -7.731 -6.429 1.00 0.00 C ATOM 323 O ARG A 22 -7.145 -7.069 -6.513 1.00 0.00 O ATOM 324 CB ARG A 22 -6.156 -7.843 -8.925 1.00 0.00 C ATOM 325 CG ARG A 22 -5.258 -8.148 -10.126 1.00 0.00 C ATOM 326 CD ARG A 22 -5.769 -9.400 -10.838 1.00 0.00 C ATOM 327 NE ARG A 22 -7.139 -9.146 -11.367 1.00 0.00 N ATOM 328 CZ ARG A 22 -7.837 -10.128 -11.867 1.00 0.00 C ATOM 329 NH1 ARG A 22 -7.271 -10.988 -12.669 1.00 0.00 N ATOM 330 NH2 ARG A 22 -9.099 -10.253 -11.562 1.00 0.00 N ATOM 0 H ARG A 22 -6.277 -10.272 -8.370 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.442 -8.213 -7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.142 -8.282 -9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.298 -6.767 -8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.252 -7.302 -10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.230 -8.298 -9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.097 -9.668 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.785 -10.243 -10.148 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.531 -8.205 -11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.283 -10.892 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.816 -11.756 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.540 -9.583 -10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.645 -11.021 -11.953 1.00 0.00 H new ATOM 344 N GLN A 23 -5.515 -7.891 -5.290 1.00 0.00 N ATOM 345 CA GLN A 23 -6.049 -7.265 -4.054 1.00 0.00 C ATOM 346 C GLN A 23 -4.997 -7.357 -2.946 1.00 0.00 C ATOM 347 O GLN A 23 -4.824 -8.384 -2.322 1.00 0.00 O ATOM 348 CB GLN A 23 -7.323 -7.995 -3.621 1.00 0.00 C ATOM 349 CG GLN A 23 -7.071 -9.503 -3.605 1.00 0.00 C ATOM 350 CD GLN A 23 -8.404 -10.242 -3.474 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.441 -9.719 -3.828 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.420 -11.449 -2.976 1.00 0.00 N ATOM 0 H GLN A 23 -4.660 -8.433 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.284 -6.218 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.629 -7.657 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.139 -7.760 -4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.563 -9.807 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.415 -9.764 -2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.549 -11.889 -2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.303 -11.951 -2.885 1.00 0.00 H new ATOM 361 N LEU A 24 -4.289 -6.288 -2.706 1.00 0.00 N ATOM 362 CA LEU A 24 -3.244 -6.302 -1.650 1.00 0.00 C ATOM 363 C LEU A 24 -3.667 -5.389 -0.503 1.00 0.00 C ATOM 364 O LEU A 24 -4.514 -4.533 -0.661 1.00 0.00 O ATOM 365 CB LEU A 24 -1.936 -5.775 -2.237 1.00 0.00 C ATOM 366 CG LEU A 24 -1.554 -6.586 -3.475 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.373 -5.910 -4.178 1.00 0.00 C ATOM 368 CD2 LEU A 24 -1.153 -8.000 -3.053 1.00 0.00 C ATOM 0 H LEU A 24 -4.392 -5.402 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.111 -7.320 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.044 -4.723 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.142 -5.837 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.404 -6.637 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.098 -6.486 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.656 -4.901 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.477 -5.862 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.880 -8.579 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.301 -7.949 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.991 -8.480 -2.548 1.00 0.00 H new ATOM 380 N THR A 25 -3.073 -5.546 0.646 1.00 0.00 N ATOM 381 CA THR A 25 -3.433 -4.662 1.788 1.00 0.00 C ATOM 382 C THR A 25 -2.612 -3.377 1.675 1.00 0.00 C ATOM 383 O THR A 25 -1.742 -3.264 0.836 1.00 0.00 O ATOM 384 CB THR A 25 -3.118 -5.362 3.115 1.00 0.00 C ATOM 385 OG1 THR A 25 -3.018 -4.389 4.146 1.00 0.00 O ATOM 386 CG2 THR A 25 -1.797 -6.124 3.001 1.00 0.00 C ATOM 0 H THR A 25 -2.357 -6.245 0.843 1.00 0.00 H new ATOM 0 HA THR A 25 -4.499 -4.434 1.762 1.00 0.00 H new ATOM 0 HB THR A 25 -3.916 -6.066 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.818 -4.833 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.580 -6.619 3.948 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.875 -6.871 2.211 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.994 -5.426 2.763 1.00 0.00 H new ATOM 394 N LEU A 26 -2.876 -2.403 2.500 1.00 0.00 N ATOM 395 CA LEU A 26 -2.088 -1.138 2.403 1.00 0.00 C ATOM 396 C LEU A 26 -0.599 -1.482 2.392 1.00 0.00 C ATOM 397 O LEU A 26 0.162 -0.963 1.600 1.00 0.00 O ATOM 398 CB LEU A 26 -2.385 -0.214 3.593 1.00 0.00 C ATOM 399 CG LEU A 26 -2.921 1.119 3.068 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.188 1.494 3.835 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.866 2.209 3.268 1.00 0.00 C ATOM 0 H LEU A 26 -3.591 -2.424 3.227 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.367 -0.620 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.115 -0.678 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.480 -0.051 4.178 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.150 1.025 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.571 2.444 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.941 0.719 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.957 1.588 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.248 3.159 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.637 2.303 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.960 1.943 2.723 1.00 0.00 H new ATOM 413 N SER A 27 -0.179 -2.359 3.262 1.00 0.00 N ATOM 414 CA SER A 27 1.259 -2.744 3.302 1.00 0.00 C ATOM 415 C SER A 27 1.486 -3.958 2.400 1.00 0.00 C ATOM 416 O SER A 27 2.429 -4.705 2.571 1.00 0.00 O ATOM 417 CB SER A 27 1.650 -3.099 4.734 1.00 0.00 C ATOM 418 OG SER A 27 1.362 -1.998 5.585 1.00 0.00 O ATOM 0 H SER A 27 -0.772 -2.826 3.948 1.00 0.00 H new ATOM 0 HA SER A 27 1.868 -1.910 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.103 -3.982 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.711 -3.344 4.784 1.00 0.00 H new ATOM 0 HG SER A 27 1.610 -2.223 6.506 1.00 0.00 H new ATOM 424 N GLY A 28 0.636 -4.149 1.430 1.00 0.00 N ATOM 425 CA GLY A 28 0.805 -5.300 0.501 1.00 0.00 C ATOM 426 C GLY A 28 1.419 -4.771 -0.781 1.00 0.00 C ATOM 427 O GLY A 28 2.363 -5.313 -1.320 1.00 0.00 O ATOM 0 H GLY A 28 -0.171 -3.555 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.446 -6.060 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.156 -5.772 0.298 1.00 0.00 H new ATOM 431 N ILE A 29 0.877 -3.692 -1.256 1.00 0.00 N ATOM 432 CA ILE A 29 1.389 -3.065 -2.491 1.00 0.00 C ATOM 433 C ILE A 29 2.873 -2.765 -2.314 1.00 0.00 C ATOM 434 O ILE A 29 3.646 -2.780 -3.251 1.00 0.00 O ATOM 435 CB ILE A 29 0.594 -1.781 -2.734 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.951 -1.210 -4.107 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.854 -0.752 -1.620 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.163 -0.293 -3.995 1.00 0.00 C ATOM 0 H ILE A 29 0.085 -3.211 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 29 1.273 -3.727 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.470 -2.015 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.163 -2.022 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.103 -0.657 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.277 0.151 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.554 -1.172 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.915 -0.506 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.408 0.108 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.936 0.528 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.013 -0.858 -3.611 1.00 0.00 H new ATOM 450 N TYR A 30 3.268 -2.504 -1.107 1.00 0.00 N ATOM 451 CA TYR A 30 4.703 -2.203 -0.832 1.00 0.00 C ATOM 452 C TYR A 30 5.521 -3.496 -0.845 1.00 0.00 C ATOM 453 O TYR A 30 6.412 -3.669 -1.654 1.00 0.00 O ATOM 454 CB TYR A 30 4.829 -1.527 0.535 1.00 0.00 C ATOM 455 CG TYR A 30 3.743 -0.488 0.671 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.361 0.269 -0.440 1.00 0.00 C ATOM 457 CD2 TYR A 30 3.112 -0.288 1.902 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.349 1.224 -0.321 1.00 0.00 C ATOM 459 CE2 TYR A 30 2.097 0.669 2.021 1.00 0.00 C ATOM 460 CZ TYR A 30 1.717 1.425 0.909 1.00 0.00 C ATOM 461 OH TYR A 30 0.717 2.368 1.026 1.00 0.00 O ATOM 0 H TYR A 30 2.659 -2.485 -0.289 1.00 0.00 H new ATOM 0 HA TYR A 30 5.084 -1.535 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.744 -2.267 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.810 -1.062 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.849 0.115 -1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.407 -0.872 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.055 1.808 -1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.608 0.823 2.972 1.00 0.00 H new ATOM 0 HH TYR A 30 1.113 3.240 1.233 1.00 0.00 H new ATOM 471 N ALA A 31 5.232 -4.404 0.042 1.00 0.00 N ATOM 472 CA ALA A 31 6.000 -5.679 0.079 1.00 0.00 C ATOM 473 C ALA A 31 5.910 -6.383 -1.279 1.00 0.00 C ATOM 474 O ALA A 31 6.703 -7.249 -1.590 1.00 0.00 O ATOM 475 CB ALA A 31 5.421 -6.592 1.162 1.00 0.00 C ATOM 0 H ALA A 31 4.497 -4.319 0.744 1.00 0.00 H new ATOM 0 HA ALA A 31 7.044 -5.460 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.983 -7.526 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.491 -6.097 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.376 -6.804 0.938 1.00 0.00 H new ATOM 481 N HIS A 32 4.947 -6.028 -2.089 1.00 0.00 N ATOM 482 CA HIS A 32 4.813 -6.692 -3.415 1.00 0.00 C ATOM 483 C HIS A 32 5.847 -6.133 -4.399 1.00 0.00 C ATOM 484 O HIS A 32 6.701 -6.846 -4.889 1.00 0.00 O ATOM 485 CB HIS A 32 3.406 -6.450 -3.963 1.00 0.00 C ATOM 486 CG HIS A 32 3.254 -7.172 -5.273 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.432 -8.278 -5.415 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.820 -6.964 -6.507 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.524 -8.691 -6.693 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.357 -7.924 -7.402 1.00 0.00 N ATOM 0 H HIS A 32 4.251 -5.310 -1.889 1.00 0.00 H new ATOM 0 HA HIS A 32 4.985 -7.762 -3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.660 -6.803 -3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.235 -5.382 -4.101 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.861 -8.702 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.518 -6.175 -6.746 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.990 -9.539 -7.096 1.00 0.00 H new ATOM 498 N ILE A 33 5.762 -4.869 -4.707 1.00 0.00 N ATOM 499 CA ILE A 33 6.719 -4.261 -5.679 1.00 0.00 C ATOM 500 C ILE A 33 8.123 -4.173 -5.077 1.00 0.00 C ATOM 501 O ILE A 33 9.113 -4.302 -5.767 1.00 0.00 O ATOM 502 CB ILE A 33 6.246 -2.856 -6.035 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.037 -2.049 -4.752 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.928 -2.939 -6.808 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.184 -1.050 -4.590 1.00 0.00 C ATOM 0 H ILE A 33 5.068 -4.226 -4.326 1.00 0.00 H new ATOM 0 HA ILE A 33 6.756 -4.889 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 33 6.997 -2.366 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.084 -1.522 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.997 -2.717 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.591 -1.934 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.078 -3.513 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.175 -3.429 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.038 -0.473 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.130 -1.588 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.203 -0.375 -5.446 1.00 0.00 H new ATOM 517 N THR A 34 8.218 -3.937 -3.802 1.00 0.00 N ATOM 518 CA THR A 34 9.562 -3.820 -3.161 1.00 0.00 C ATOM 519 C THR A 34 10.371 -5.102 -3.383 1.00 0.00 C ATOM 520 O THR A 34 11.562 -5.139 -3.145 1.00 0.00 O ATOM 521 CB THR A 34 9.390 -3.587 -1.657 1.00 0.00 C ATOM 522 OG1 THR A 34 8.707 -4.693 -1.082 1.00 0.00 O ATOM 523 CG2 THR A 34 8.583 -2.309 -1.427 1.00 0.00 C ATOM 0 H THR A 34 7.425 -3.819 -3.172 1.00 0.00 H new ATOM 0 HA THR A 34 10.094 -2.981 -3.609 1.00 0.00 H new ATOM 0 HB THR A 34 10.370 -3.484 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.808 -4.758 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.461 -2.144 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.109 -1.462 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.603 -2.409 -1.893 1.00 0.00 H new ATOM 531 N LYS A 35 9.743 -6.154 -3.831 1.00 0.00 N ATOM 532 CA LYS A 35 10.491 -7.422 -4.060 1.00 0.00 C ATOM 533 C LYS A 35 11.190 -7.380 -5.422 1.00 0.00 C ATOM 534 O LYS A 35 12.359 -7.688 -5.537 1.00 0.00 O ATOM 535 CB LYS A 35 9.514 -8.601 -4.025 1.00 0.00 C ATOM 536 CG LYS A 35 10.296 -9.912 -3.923 1.00 0.00 C ATOM 537 CD LYS A 35 9.321 -11.091 -3.943 1.00 0.00 C ATOM 538 CE LYS A 35 9.432 -11.824 -5.282 1.00 0.00 C ATOM 539 NZ LYS A 35 10.695 -12.613 -5.312 1.00 0.00 N ATOM 0 H LYS A 35 8.747 -6.191 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 35 11.241 -7.541 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.839 -8.502 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.897 -8.602 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.999 -9.994 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.883 -9.927 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.543 -11.774 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.301 -10.736 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.575 -12.483 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.418 -11.108 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.643 -13.323 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.498 -11.976 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.827 -13.092 -4.398 1.00 0.00 H new ATOM 553 N HIS A 36 10.484 -7.016 -6.459 1.00 0.00 N ATOM 554 CA HIS A 36 11.116 -6.975 -7.810 1.00 0.00 C ATOM 555 C HIS A 36 11.341 -5.527 -8.259 1.00 0.00 C ATOM 556 O HIS A 36 11.460 -5.252 -9.437 1.00 0.00 O ATOM 557 CB HIS A 36 10.201 -7.678 -8.816 1.00 0.00 C ATOM 558 CG HIS A 36 8.775 -7.269 -8.565 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.163 -6.248 -9.275 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.828 -7.733 -7.685 1.00 0.00 C ATOM 561 CE1 HIS A 36 6.905 -6.132 -8.815 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.648 -7.013 -7.844 1.00 0.00 N ATOM 0 H HIS A 36 9.501 -6.746 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 36 12.081 -7.480 -7.761 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.492 -7.417 -9.833 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.303 -8.759 -8.723 1.00 0.00 H new ATOM 0 HD1 HIS A 36 8.589 -5.687 -10.012 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.977 -8.535 -6.977 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.189 -5.414 -9.186 1.00 0.00 H new ATOM 570 N TYR A 37 11.404 -4.593 -7.348 1.00 0.00 N ATOM 571 CA TYR A 37 11.622 -3.179 -7.767 1.00 0.00 C ATOM 572 C TYR A 37 13.073 -2.773 -7.474 1.00 0.00 C ATOM 573 O TYR A 37 13.547 -2.943 -6.368 1.00 0.00 O ATOM 574 CB TYR A 37 10.663 -2.265 -7.002 1.00 0.00 C ATOM 575 CG TYR A 37 9.377 -2.137 -7.783 1.00 0.00 C ATOM 576 CD1 TYR A 37 8.935 -3.204 -8.576 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.632 -0.956 -7.721 1.00 0.00 C ATOM 578 CE1 TYR A 37 7.748 -3.088 -9.307 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.444 -0.841 -8.453 1.00 0.00 C ATOM 580 CZ TYR A 37 7.002 -1.905 -9.244 1.00 0.00 C ATOM 581 OH TYR A 37 5.832 -1.787 -9.965 1.00 0.00 O ATOM 0 H TYR A 37 11.315 -4.745 -6.343 1.00 0.00 H new ATOM 0 HA TYR A 37 11.433 -3.084 -8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.463 -2.674 -6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.114 -1.284 -6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.511 -4.116 -8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.972 -0.133 -7.109 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.407 -3.910 -9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.868 0.072 -8.406 1.00 0.00 H new ATOM 0 HH TYR A 37 5.116 -1.468 -9.377 1.00 0.00 H new ATOM 591 N PRO A 38 13.739 -2.252 -8.478 1.00 0.00 N ATOM 592 CA PRO A 38 15.143 -1.818 -8.359 1.00 0.00 C ATOM 593 C PRO A 38 15.232 -0.454 -7.669 1.00 0.00 C ATOM 594 O PRO A 38 15.813 0.477 -8.189 1.00 0.00 O ATOM 595 CB PRO A 38 15.614 -1.720 -9.812 1.00 0.00 C ATOM 596 CG PRO A 38 14.341 -1.542 -10.673 1.00 0.00 C ATOM 597 CD PRO A 38 13.160 -2.045 -9.823 1.00 0.00 C ATOM 0 HA PRO A 38 15.748 -2.500 -7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.293 -0.878 -9.944 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.159 -2.618 -10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.203 -0.496 -10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.419 -2.108 -11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.349 -1.317 -9.799 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.747 -2.970 -10.225 1.00 0.00 H new ATOM 605 N TYR A 39 14.665 -0.328 -6.500 1.00 0.00 N ATOM 606 CA TYR A 39 14.726 0.977 -5.785 1.00 0.00 C ATOM 607 C TYR A 39 13.989 0.865 -4.449 1.00 0.00 C ATOM 608 O TYR A 39 14.515 1.208 -3.409 1.00 0.00 O ATOM 609 CB TYR A 39 14.066 2.061 -6.639 1.00 0.00 C ATOM 610 CG TYR A 39 14.038 3.358 -5.867 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.980 3.631 -4.993 1.00 0.00 C ATOM 612 CD2 TYR A 39 15.074 4.288 -6.022 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.955 4.832 -4.275 1.00 0.00 C ATOM 614 CE2 TYR A 39 15.049 5.490 -5.304 1.00 0.00 C ATOM 615 CZ TYR A 39 13.990 5.762 -4.431 1.00 0.00 C ATOM 616 OH TYR A 39 13.965 6.945 -3.723 1.00 0.00 O ATOM 0 H TYR A 39 14.164 -1.070 -6.011 1.00 0.00 H new ATOM 0 HA TYR A 39 15.768 1.240 -5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.617 2.191 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.053 1.762 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.182 2.914 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.892 4.078 -6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.138 5.041 -3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.847 6.207 -5.424 1.00 0.00 H new ATOM 0 HH TYR A 39 14.757 7.477 -3.946 1.00 0.00 H new ATOM 626 N TYR A 40 12.776 0.388 -4.468 1.00 0.00 N ATOM 627 CA TYR A 40 12.010 0.259 -3.197 1.00 0.00 C ATOM 628 C TYR A 40 12.563 -0.911 -2.383 1.00 0.00 C ATOM 629 O TYR A 40 11.875 -1.876 -2.116 1.00 0.00 O ATOM 630 CB TYR A 40 10.534 0.011 -3.512 1.00 0.00 C ATOM 631 CG TYR A 40 9.823 1.334 -3.655 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.061 2.361 -2.733 1.00 0.00 C ATOM 633 CD2 TYR A 40 8.928 1.535 -4.712 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.403 3.590 -2.868 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.271 2.764 -4.848 1.00 0.00 C ATOM 636 CZ TYR A 40 8.508 3.791 -3.925 1.00 0.00 C ATOM 637 OH TYR A 40 7.859 5.002 -4.061 1.00 0.00 O ATOM 0 H TYR A 40 12.282 0.082 -5.307 1.00 0.00 H new ATOM 0 HA TYR A 40 12.107 1.179 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.439 -0.567 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.075 -0.577 -2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.752 2.205 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.744 0.743 -5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.586 4.382 -2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.582 2.920 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 40 7.761 5.421 -3.181 1.00 0.00 H new ATOM 647 N ARG A 41 13.801 -0.831 -1.982 1.00 0.00 N ATOM 648 CA ARG A 41 14.396 -1.938 -1.183 1.00 0.00 C ATOM 649 C ARG A 41 14.664 -1.450 0.243 1.00 0.00 C ATOM 650 O ARG A 41 14.771 -2.234 1.166 1.00 0.00 O ATOM 651 CB ARG A 41 15.711 -2.384 -1.826 1.00 0.00 C ATOM 652 CG ARG A 41 15.508 -3.738 -2.509 1.00 0.00 C ATOM 653 CD ARG A 41 16.158 -3.720 -3.893 1.00 0.00 C ATOM 654 NE ARG A 41 17.268 -4.712 -3.934 1.00 0.00 N ATOM 655 CZ ARG A 41 18.481 -4.322 -4.215 1.00 0.00 C ATOM 656 NH1 ARG A 41 19.239 -3.821 -3.276 1.00 0.00 N ATOM 657 NH2 ARG A 41 18.935 -4.431 -5.432 1.00 0.00 N ATOM 0 H ARG A 41 14.426 -0.048 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 41 13.703 -2.779 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.043 -1.643 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.492 -2.459 -1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.944 -4.531 -1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.444 -3.955 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.417 -3.955 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.539 -2.723 -4.115 1.00 0.00 H new ATOM 0 HE ARG A 41 17.080 -5.696 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.882 -3.735 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.187 -3.516 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.342 -4.821 -6.165 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.883 -4.126 -5.652 1.00 0.00 H new ATOM 671 N THR A 42 14.770 -0.163 0.434 1.00 0.00 N ATOM 672 CA THR A 42 15.029 0.368 1.802 1.00 0.00 C ATOM 673 C THR A 42 14.223 1.653 2.014 1.00 0.00 C ATOM 674 O THR A 42 14.488 2.421 2.918 1.00 0.00 O ATOM 675 CB THR A 42 16.520 0.668 1.963 1.00 0.00 C ATOM 676 OG1 THR A 42 17.049 1.110 0.720 1.00 0.00 O ATOM 677 CG2 THR A 42 17.252 -0.599 2.409 1.00 0.00 C ATOM 0 H THR A 42 14.688 0.543 -0.298 1.00 0.00 H new ATOM 0 HA THR A 42 14.728 -0.375 2.540 1.00 0.00 H new ATOM 0 HB THR A 42 16.656 1.446 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.004 1.304 0.822 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.314 -0.384 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.846 -0.938 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.118 -1.379 1.660 1.00 0.00 H new ATOM 685 N ALA A 43 13.240 1.891 1.189 1.00 0.00 N ATOM 686 CA ALA A 43 12.415 3.124 1.345 1.00 0.00 C ATOM 687 C ALA A 43 10.982 2.729 1.705 1.00 0.00 C ATOM 688 O ALA A 43 10.626 1.567 1.679 1.00 0.00 O ATOM 689 CB ALA A 43 12.413 3.909 0.032 1.00 0.00 C ATOM 0 H ALA A 43 12.972 1.285 0.413 1.00 0.00 H new ATOM 0 HA ALA A 43 12.834 3.746 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.810 4.810 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.435 4.187 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.993 3.290 -0.761 1.00 0.00 H new ATOM 695 N ASP A 44 10.153 3.681 2.040 1.00 0.00 N ATOM 696 CA ASP A 44 8.747 3.341 2.397 1.00 0.00 C ATOM 697 C ASP A 44 7.953 4.620 2.683 1.00 0.00 C ATOM 698 O ASP A 44 6.882 4.826 2.147 1.00 0.00 O ATOM 699 CB ASP A 44 8.739 2.448 3.640 1.00 0.00 C ATOM 700 CG ASP A 44 9.555 3.109 4.753 1.00 0.00 C ATOM 701 OD1 ASP A 44 10.578 3.696 4.442 1.00 0.00 O ATOM 702 OD2 ASP A 44 9.142 3.016 5.898 1.00 0.00 O ATOM 0 H ASP A 44 10.387 4.673 2.082 1.00 0.00 H new ATOM 0 HA ASP A 44 8.285 2.814 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.715 2.283 3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.157 1.470 3.400 1.00 0.00 H new ATOM 707 N LYS A 45 8.461 5.476 3.529 1.00 0.00 N ATOM 708 CA LYS A 45 7.725 6.733 3.854 1.00 0.00 C ATOM 709 C LYS A 45 7.739 7.678 2.650 1.00 0.00 C ATOM 710 O LYS A 45 7.118 8.723 2.666 1.00 0.00 O ATOM 711 CB LYS A 45 8.397 7.424 5.043 1.00 0.00 C ATOM 712 CG LYS A 45 7.509 7.292 6.280 1.00 0.00 C ATOM 713 CD LYS A 45 8.378 6.972 7.498 1.00 0.00 C ATOM 714 CE LYS A 45 7.674 7.451 8.769 1.00 0.00 C ATOM 715 NZ LYS A 45 8.457 8.558 9.386 1.00 0.00 N ATOM 0 H LYS A 45 9.353 5.360 4.009 1.00 0.00 H new ATOM 0 HA LYS A 45 6.693 6.485 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.372 6.976 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.568 8.476 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.958 8.218 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.771 6.504 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.562 5.899 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.349 7.458 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.666 7.793 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.573 6.626 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.978 8.883 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.410 8.217 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.531 9.348 8.713 1.00 0.00 H new ATOM 729 N GLY A 46 8.443 7.328 1.611 1.00 0.00 N ATOM 730 CA GLY A 46 8.496 8.217 0.416 1.00 0.00 C ATOM 731 C GLY A 46 7.229 8.031 -0.422 1.00 0.00 C ATOM 732 O GLY A 46 6.948 8.802 -1.319 1.00 0.00 O ATOM 0 H GLY A 46 8.984 6.466 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.587 9.257 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.377 7.985 -0.183 1.00 0.00 H new ATOM 736 N TRP A 47 6.469 7.006 -0.151 1.00 0.00 N ATOM 737 CA TRP A 47 5.233 6.767 -0.945 1.00 0.00 C ATOM 738 C TRP A 47 4.252 5.910 -0.149 1.00 0.00 C ATOM 739 O TRP A 47 3.328 5.345 -0.699 1.00 0.00 O ATOM 740 CB TRP A 47 5.605 6.013 -2.213 1.00 0.00 C ATOM 741 CG TRP A 47 6.245 4.711 -1.841 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.314 4.574 -1.019 1.00 0.00 C ATOM 743 CD2 TRP A 47 5.880 3.365 -2.257 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.635 3.234 -0.921 1.00 0.00 N ATOM 745 CE2 TRP A 47 6.784 2.450 -1.669 1.00 0.00 C ATOM 746 CE3 TRP A 47 4.866 2.854 -3.085 1.00 0.00 C ATOM 747 CZ2 TRP A 47 6.691 1.079 -1.899 1.00 0.00 C ATOM 748 CZ3 TRP A 47 4.771 1.473 -3.317 1.00 0.00 C ATOM 749 CH2 TRP A 47 5.682 0.590 -2.730 1.00 0.00 C ATOM 0 H TRP A 47 6.651 6.324 0.586 1.00 0.00 H new ATOM 0 HA TRP A 47 4.771 7.725 -1.182 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.716 5.835 -2.819 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.289 6.609 -2.817 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.831 5.381 -0.521 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.407 2.870 -0.363 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.157 3.527 -3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.394 0.401 -1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.988 1.089 -3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 47 5.605 -0.470 -2.920 1.00 0.00 H new ATOM 760 N GLN A 48 4.443 5.792 1.130 1.00 0.00 N ATOM 761 CA GLN A 48 3.514 4.952 1.928 1.00 0.00 C ATOM 762 C GLN A 48 2.138 5.617 1.976 1.00 0.00 C ATOM 763 O GLN A 48 1.150 5.048 1.560 1.00 0.00 O ATOM 764 CB GLN A 48 4.063 4.793 3.345 1.00 0.00 C ATOM 765 CG GLN A 48 3.522 3.502 3.959 1.00 0.00 C ATOM 766 CD GLN A 48 4.236 2.290 3.347 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.058 1.177 3.802 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.042 2.454 2.328 1.00 0.00 N ATOM 0 H GLN A 48 5.196 6.237 1.655 1.00 0.00 H new ATOM 0 HA GLN A 48 3.421 3.969 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.153 4.770 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.774 5.648 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.669 3.514 5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.449 3.428 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.194 3.386 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.518 1.650 1.919 1.00 0.00 H new ATOM 777 N ASN A 49 2.064 6.819 2.477 1.00 0.00 N ATOM 778 CA ASN A 49 0.750 7.515 2.544 1.00 0.00 C ATOM 779 C ASN A 49 0.302 7.895 1.130 1.00 0.00 C ATOM 780 O ASN A 49 -0.861 8.145 0.883 1.00 0.00 O ATOM 781 CB ASN A 49 0.883 8.778 3.398 1.00 0.00 C ATOM 782 CG ASN A 49 -0.167 8.753 4.509 1.00 0.00 C ATOM 783 OD1 ASN A 49 -0.346 7.749 5.169 1.00 0.00 O ATOM 784 ND2 ASN A 49 -0.877 9.822 4.743 1.00 0.00 N ATOM 0 H ASN A 49 2.856 7.348 2.842 1.00 0.00 H new ATOM 0 HA ASN A 49 0.010 6.853 2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.883 8.835 3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.751 9.665 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.582 9.815 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.727 10.665 4.189 1.00 0.00 H new ATOM 791 N SER A 50 1.217 7.939 0.199 1.00 0.00 N ATOM 792 CA SER A 50 0.844 8.300 -1.198 1.00 0.00 C ATOM 793 C SER A 50 -0.039 7.201 -1.790 1.00 0.00 C ATOM 794 O SER A 50 -1.147 7.447 -2.225 1.00 0.00 O ATOM 795 CB SER A 50 2.109 8.441 -2.045 1.00 0.00 C ATOM 796 OG SER A 50 2.540 7.151 -2.460 1.00 0.00 O ATOM 0 H SER A 50 2.207 7.740 0.346 1.00 0.00 H new ATOM 0 HA SER A 50 0.300 9.245 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.911 9.068 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.894 8.932 -1.469 1.00 0.00 H new ATOM 0 HG SER A 50 2.721 7.161 -3.423 1.00 0.00 H new ATOM 802 N ILE A 51 0.443 5.989 -1.810 1.00 0.00 N ATOM 803 CA ILE A 51 -0.367 4.873 -2.373 1.00 0.00 C ATOM 804 C ILE A 51 -1.781 4.924 -1.785 1.00 0.00 C ATOM 805 O ILE A 51 -2.759 4.995 -2.503 1.00 0.00 O ATOM 806 CB ILE A 51 0.294 3.532 -2.015 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.561 3.274 -2.864 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.700 2.393 -2.251 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.756 4.339 -3.944 1.00 0.00 C ATOM 0 H ILE A 51 1.364 5.723 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.423 4.971 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 51 0.586 3.576 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.435 3.254 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.490 2.292 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.231 1.442 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.580 2.542 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.998 2.382 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.657 4.117 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.895 4.342 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.855 5.318 -3.476 1.00 0.00 H new ATOM 821 N ARG A 52 -1.898 4.890 -0.485 1.00 0.00 N ATOM 822 CA ARG A 52 -3.249 4.938 0.141 1.00 0.00 C ATOM 823 C ARG A 52 -4.041 6.104 -0.455 1.00 0.00 C ATOM 824 O ARG A 52 -5.226 6.004 -0.700 1.00 0.00 O ATOM 825 CB ARG A 52 -3.102 5.133 1.652 1.00 0.00 C ATOM 826 CG ARG A 52 -4.478 5.069 2.317 1.00 0.00 C ATOM 827 CD ARG A 52 -4.308 4.986 3.835 1.00 0.00 C ATOM 828 NE ARG A 52 -3.665 6.234 4.333 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.370 7.111 4.992 1.00 0.00 C ATOM 830 NH1 ARG A 52 -5.567 7.427 4.581 1.00 0.00 N ATOM 831 NH2 ARG A 52 -3.880 7.672 6.063 1.00 0.00 N ATOM 0 H ARG A 52 -1.117 4.831 0.169 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.778 4.005 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.451 4.363 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.631 6.094 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.062 5.951 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.029 4.201 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.278 4.849 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.698 4.121 4.096 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.674 6.402 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.951 6.988 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.119 8.113 5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.945 7.425 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.432 8.358 6.578 1.00 0.00 H new ATOM 845 N HIS A 53 -3.390 7.210 -0.693 1.00 0.00 N ATOM 846 CA HIS A 53 -4.098 8.384 -1.275 1.00 0.00 C ATOM 847 C HIS A 53 -4.364 8.132 -2.762 1.00 0.00 C ATOM 848 O HIS A 53 -5.405 8.478 -3.285 1.00 0.00 O ATOM 849 CB HIS A 53 -3.221 9.629 -1.115 1.00 0.00 C ATOM 850 CG HIS A 53 -3.829 10.778 -1.872 1.00 0.00 C ATOM 851 ND1 HIS A 53 -3.429 11.110 -3.157 1.00 0.00 N ATOM 852 CD2 HIS A 53 -4.804 11.683 -1.536 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.155 12.174 -3.545 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.009 12.565 -2.595 1.00 0.00 N ATOM 0 H HIS A 53 -2.397 7.351 -0.509 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.046 8.536 -0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.126 9.886 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.216 9.428 -1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.332 11.708 -0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.059 12.654 -4.508 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.669 13.342 -2.636 1.00 0.00 H new ATOM 862 N ASN A 54 -3.427 7.534 -3.448 1.00 0.00 N ATOM 863 CA ASN A 54 -3.617 7.260 -4.902 1.00 0.00 C ATOM 864 C ASN A 54 -4.663 6.164 -5.098 1.00 0.00 C ATOM 865 O ASN A 54 -5.507 6.245 -5.969 1.00 0.00 O ATOM 866 CB ASN A 54 -2.292 6.792 -5.506 1.00 0.00 C ATOM 867 CG ASN A 54 -1.397 8.005 -5.755 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.594 8.736 -6.707 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.413 8.253 -4.934 1.00 0.00 N ATOM 0 H ASN A 54 -2.535 7.223 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.953 8.173 -5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.798 6.093 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.472 6.260 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.191 9.060 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.248 7.640 -4.136 1.00 0.00 H new ATOM 876 N LEU A 55 -4.598 5.130 -4.313 1.00 0.00 N ATOM 877 CA LEU A 55 -5.568 4.008 -4.465 1.00 0.00 C ATOM 878 C LEU A 55 -7.007 4.524 -4.377 1.00 0.00 C ATOM 879 O LEU A 55 -7.940 3.842 -4.751 1.00 0.00 O ATOM 880 CB LEU A 55 -5.326 2.990 -3.351 1.00 0.00 C ATOM 881 CG LEU A 55 -3.936 2.377 -3.511 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.488 1.782 -2.176 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.985 1.275 -4.571 1.00 0.00 C ATOM 0 H LEU A 55 -3.912 5.010 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.424 3.543 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.412 3.473 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.085 2.209 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.230 3.147 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.496 1.344 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.455 2.567 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.193 1.010 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.994 0.837 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.689 0.503 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.307 1.699 -5.522 1.00 0.00 H new ATOM 895 N SER A 56 -7.205 5.715 -3.882 1.00 0.00 N ATOM 896 CA SER A 56 -8.593 6.247 -3.770 1.00 0.00 C ATOM 897 C SER A 56 -8.972 7.004 -5.044 1.00 0.00 C ATOM 898 O SER A 56 -9.886 6.631 -5.751 1.00 0.00 O ATOM 899 CB SER A 56 -8.676 7.197 -2.572 1.00 0.00 C ATOM 900 OG SER A 56 -9.474 6.604 -1.557 1.00 0.00 O ATOM 0 H SER A 56 -6.470 6.340 -3.552 1.00 0.00 H new ATOM 0 HA SER A 56 -9.283 5.415 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.677 7.406 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.106 8.150 -2.878 1.00 0.00 H new ATOM 0 HG SER A 56 -9.528 7.209 -0.788 1.00 0.00 H new ATOM 906 N LEU A 57 -8.286 8.074 -5.332 1.00 0.00 N ATOM 907 CA LEU A 57 -8.620 8.867 -6.549 1.00 0.00 C ATOM 908 C LEU A 57 -8.529 7.981 -7.801 1.00 0.00 C ATOM 909 O LEU A 57 -9.197 8.222 -8.786 1.00 0.00 O ATOM 910 CB LEU A 57 -7.663 10.073 -6.641 1.00 0.00 C ATOM 911 CG LEU A 57 -6.505 9.803 -7.611 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.754 11.110 -7.876 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.547 8.785 -6.989 1.00 0.00 C ATOM 0 H LEU A 57 -7.509 8.434 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.643 9.237 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.216 10.953 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.265 10.298 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.897 9.408 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.930 10.923 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.436 11.839 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.361 11.500 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.724 8.592 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.153 9.181 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.081 7.855 -6.793 1.00 0.00 H new ATOM 925 N ASN A 58 -7.711 6.964 -7.775 1.00 0.00 N ATOM 926 CA ASN A 58 -7.591 6.080 -8.971 1.00 0.00 C ATOM 927 C ASN A 58 -8.971 5.540 -9.350 1.00 0.00 C ATOM 928 O ASN A 58 -9.822 5.337 -8.505 1.00 0.00 O ATOM 929 CB ASN A 58 -6.658 4.908 -8.665 1.00 0.00 C ATOM 930 CG ASN A 58 -5.221 5.296 -9.015 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.916 5.578 -10.157 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.318 5.322 -8.075 1.00 0.00 N ATOM 0 H ASN A 58 -7.123 6.707 -6.982 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.182 6.659 -9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.727 4.640 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.959 4.031 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.357 5.579 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.573 5.085 -7.116 1.00 0.00 H new ATOM 939 N ARG A 59 -9.205 5.315 -10.613 1.00 0.00 N ATOM 940 CA ARG A 59 -10.535 4.798 -11.047 1.00 0.00 C ATOM 941 C ARG A 59 -10.534 3.267 -11.068 1.00 0.00 C ATOM 942 O ARG A 59 -11.576 2.643 -11.103 1.00 0.00 O ATOM 943 CB ARG A 59 -10.854 5.318 -12.451 1.00 0.00 C ATOM 944 CG ARG A 59 -10.209 6.690 -12.652 1.00 0.00 C ATOM 945 CD ARG A 59 -11.098 7.544 -13.556 1.00 0.00 C ATOM 946 NE ARG A 59 -10.407 8.825 -13.865 1.00 0.00 N ATOM 947 CZ ARG A 59 -9.765 9.462 -12.924 1.00 0.00 C ATOM 948 NH1 ARG A 59 -10.396 10.317 -12.168 1.00 0.00 N ATOM 949 NH2 ARG A 59 -8.492 9.240 -12.737 1.00 0.00 N ATOM 0 H ARG A 59 -8.533 5.467 -11.365 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.290 5.144 -10.341 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.485 4.619 -13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.933 5.390 -12.586 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.070 7.183 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.221 6.577 -13.098 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.320 7.007 -14.478 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.051 7.742 -13.065 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.435 9.205 -14.811 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.391 10.488 -12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.894 10.815 -11.433 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.999 8.569 -13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.990 9.738 -12.002 1.00 0.00 H new ATOM 963 N TYR A 60 -9.382 2.646 -11.063 1.00 0.00 N ATOM 964 CA TYR A 60 -9.361 1.153 -11.102 1.00 0.00 C ATOM 965 C TYR A 60 -9.098 0.572 -9.711 1.00 0.00 C ATOM 966 O TYR A 60 -9.447 -0.558 -9.433 1.00 0.00 O ATOM 967 CB TYR A 60 -8.274 0.661 -12.067 1.00 0.00 C ATOM 968 CG TYR A 60 -7.142 1.660 -12.167 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.458 2.092 -11.020 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.779 2.155 -13.421 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.416 3.018 -11.141 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.739 3.081 -13.540 1.00 0.00 C ATOM 973 CZ TYR A 60 -5.059 3.515 -12.399 1.00 0.00 C ATOM 974 OH TYR A 60 -4.033 4.431 -12.513 1.00 0.00 O ATOM 0 H TYR A 60 -8.469 3.099 -11.034 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.338 0.815 -11.448 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.887 -0.299 -11.725 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.707 0.497 -13.054 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.735 1.711 -10.048 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.304 1.821 -14.303 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.886 3.350 -10.261 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.461 3.461 -14.512 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.073 5.062 -11.764 1.00 0.00 H new ATOM 984 N PHE A 61 -8.482 1.313 -8.834 1.00 0.00 N ATOM 985 CA PHE A 61 -8.203 0.757 -7.481 1.00 0.00 C ATOM 986 C PHE A 61 -9.431 0.911 -6.591 1.00 0.00 C ATOM 987 O PHE A 61 -9.898 2.002 -6.326 1.00 0.00 O ATOM 988 CB PHE A 61 -6.999 1.471 -6.869 1.00 0.00 C ATOM 989 CG PHE A 61 -5.770 1.045 -7.632 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.355 -0.292 -7.603 1.00 0.00 C ATOM 991 CD2 PHE A 61 -5.059 1.978 -8.392 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.233 -0.687 -8.329 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.938 1.582 -9.119 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.522 0.247 -9.088 1.00 0.00 C ATOM 0 H PHE A 61 -8.163 2.269 -8.992 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.972 -0.305 -7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.127 2.552 -6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.900 1.216 -5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.904 -1.016 -7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.379 3.009 -8.416 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.912 -1.718 -8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.391 2.305 -9.706 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.653 -0.062 -9.650 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.957 -0.191 -6.139 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.166 -0.151 -5.269 1.00 0.00 C ATOM 1006 C ILE A 62 -10.784 -0.554 -3.843 1.00 0.00 C ATOM 1007 O ILE A 62 -9.720 -1.090 -3.603 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.220 -1.125 -5.818 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.826 -2.570 -5.488 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.320 -0.972 -7.337 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.018 -3.494 -5.751 1.00 0.00 C ATOM 0 H ILE A 62 -9.599 -1.126 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.576 0.859 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.181 -0.897 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.974 -2.875 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.516 -2.645 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.068 -1.664 -7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.610 0.050 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.353 -1.193 -7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.740 -4.522 -5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.857 -3.193 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.307 -3.426 -6.800 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.646 -0.308 -2.895 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.336 -0.685 -1.488 1.00 0.00 C ATOM 1025 C LYS A 63 -12.582 -1.299 -0.848 1.00 0.00 C ATOM 1026 O LYS A 63 -13.677 -0.792 -0.989 1.00 0.00 O ATOM 1027 CB LYS A 63 -10.911 0.558 -0.701 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.989 1.638 -0.820 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.010 2.482 0.456 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.888 1.801 1.508 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.567 2.839 2.336 1.00 0.00 N ATOM 0 H LYS A 63 -12.552 0.138 -3.035 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.522 -1.410 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.754 0.301 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.962 0.935 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.790 2.272 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.964 1.177 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.997 2.606 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.393 3.479 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.629 1.166 1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.280 1.155 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.164 2.377 3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.852 3.428 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.159 3.438 1.725 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.429 -2.391 -0.150 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.611 -3.033 0.489 1.00 0.00 C ATOM 1047 C VAL A 64 -14.223 -2.065 1.511 1.00 0.00 C ATOM 1048 O VAL A 64 -13.508 -1.407 2.239 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.174 -4.316 1.197 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.584 -5.287 0.174 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.113 -3.980 2.248 1.00 0.00 C ATOM 0 H VAL A 64 -11.539 -2.865 0.005 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.352 -3.275 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.036 -4.776 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.272 -6.202 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.337 -5.525 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.722 -4.827 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.800 -4.893 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.252 -3.521 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.530 -3.286 2.977 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.997 -4.206 2.593 1.00 0.00 N ATOM 1219 CA PHE A 76 -8.069 -4.799 1.591 1.00 0.00 C ATOM 1220 C PHE A 76 -8.119 -3.978 0.301 1.00 0.00 C ATOM 1221 O PHE A 76 -9.177 -3.673 -0.214 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.490 -6.239 1.294 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.263 -7.098 1.094 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.161 -6.961 1.949 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.227 -8.032 0.052 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.026 -7.760 1.760 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -6.093 -8.831 -0.135 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.993 -8.694 0.719 1.00 0.00 C ATOM 0 HA PHE A 76 -7.054 -4.792 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.089 -6.630 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.116 -6.268 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.187 -6.240 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.075 -8.136 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.176 -7.655 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.067 -9.553 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.118 -9.310 0.574 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.981 -3.616 -0.222 1.00 0.00 N ATOM 1239 CA TRP A 77 -6.957 -2.814 -1.476 1.00 0.00 C ATOM 1240 C TRP A 77 -7.070 -3.749 -2.683 1.00 0.00 C ATOM 1241 O TRP A 77 -6.450 -4.791 -2.730 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.642 -2.040 -1.553 1.00 0.00 C ATOM 1243 CG TRP A 77 -5.872 -0.627 -1.130 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.297 -0.032 -0.059 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.727 0.377 -1.747 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -5.740 1.276 0.016 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -6.624 1.575 -1.002 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.573 0.365 -2.870 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.332 2.721 -1.360 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.289 1.516 -3.233 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.168 2.692 -2.479 1.00 0.00 C ATOM 0 H TRP A 77 -6.065 -3.842 0.166 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.794 -2.116 -1.480 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.895 -2.506 -0.911 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.250 -2.068 -2.570 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.606 -0.502 0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.449 1.939 0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.672 -0.536 -3.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.235 3.625 -0.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.936 1.496 -4.097 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.721 3.575 -2.763 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.855 -3.383 -3.661 1.00 0.00 N ATOM 1263 CA ARG A 78 -8.003 -4.253 -4.863 1.00 0.00 C ATOM 1264 C ARG A 78 -8.245 -3.385 -6.095 1.00 0.00 C ATOM 1265 O ARG A 78 -8.868 -2.346 -6.021 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.189 -5.200 -4.670 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.344 -5.545 -3.187 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.272 -6.752 -3.038 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.742 -6.849 -1.627 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.624 -7.751 -1.294 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.611 -8.027 -2.102 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.520 -8.378 -0.154 1.00 0.00 N ATOM 0 H ARG A 78 -8.399 -2.521 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.092 -4.835 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.102 -4.734 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.037 -6.110 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.370 -5.766 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.750 -4.691 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.124 -6.653 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.747 -7.664 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.374 -6.210 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.693 -7.538 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.301 -8.732 -1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.749 -8.163 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.210 -9.083 0.105 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.757 -3.801 -7.232 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.968 -2.993 -8.464 1.00 0.00 C ATOM 1288 C ILE A 79 -9.028 -3.658 -9.340 1.00 0.00 C ATOM 1289 O ILE A 79 -9.265 -4.847 -9.251 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.660 -2.893 -9.248 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.874 -1.986 -10.459 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.241 -4.284 -9.723 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.623 -1.145 -10.710 1.00 0.00 C ATOM 0 H ILE A 79 -7.224 -4.661 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.300 -1.994 -8.181 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.879 -2.480 -8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.100 -2.588 -11.339 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.732 -1.335 -10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.308 -4.212 -10.282 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.098 -4.935 -8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.018 -4.698 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.785 -0.502 -11.575 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.416 -0.530 -9.834 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.775 -1.802 -10.900 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.665 -2.902 -10.193 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.703 -3.494 -11.078 1.00 0.00 C ATOM 1307 C ASP A 80 -10.060 -4.593 -11.929 1.00 0.00 C ATOM 1308 O ASP A 80 -8.917 -4.476 -12.326 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.278 -2.409 -11.991 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.685 -2.038 -11.523 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.569 -2.870 -11.647 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.858 -0.927 -11.048 1.00 0.00 O ATOM 0 H ASP A 80 -9.510 -1.901 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.507 -3.916 -10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.635 -1.529 -11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.308 -2.765 -13.021 1.00 0.00 H new ATOM 1317 N PRO A 81 -10.813 -5.632 -12.176 1.00 0.00 N ATOM 1318 CA PRO A 81 -10.342 -6.781 -12.970 1.00 0.00 C ATOM 1319 C PRO A 81 -10.394 -6.460 -14.466 1.00 0.00 C ATOM 1320 O PRO A 81 -9.383 -6.426 -15.141 1.00 0.00 O ATOM 1321 CB PRO A 81 -11.335 -7.891 -12.613 1.00 0.00 C ATOM 1322 CG PRO A 81 -12.616 -7.185 -12.106 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.202 -5.760 -11.691 1.00 0.00 C ATOM 0 HA PRO A 81 -9.308 -7.054 -12.758 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.552 -8.512 -13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.924 -8.548 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.376 -7.155 -12.887 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.047 -7.724 -11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.852 -5.009 -12.141 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.261 -5.627 -10.611 1.00 0.00 H new ATOM 1331 N ALA A 82 -11.565 -6.233 -14.989 1.00 0.00 N ATOM 1332 CA ALA A 82 -11.696 -5.921 -16.440 1.00 0.00 C ATOM 1333 C ALA A 82 -10.726 -4.803 -16.830 1.00 0.00 C ATOM 1334 O ALA A 82 -10.249 -4.746 -17.945 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.129 -5.473 -16.732 1.00 0.00 C ATOM 0 H ALA A 82 -12.443 -6.250 -14.471 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.460 -6.814 -17.019 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.229 -5.244 -17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.821 -6.272 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.359 -4.584 -16.145 1.00 0.00 H new ATOM 1341 N SER A 83 -10.431 -3.909 -15.927 1.00 0.00 N ATOM 1342 CA SER A 83 -9.493 -2.799 -16.268 1.00 0.00 C ATOM 1343 C SER A 83 -8.054 -3.242 -16.004 1.00 0.00 C ATOM 1344 O SER A 83 -7.117 -2.517 -16.270 1.00 0.00 O ATOM 1345 CB SER A 83 -9.808 -1.566 -15.413 1.00 0.00 C ATOM 1346 OG SER A 83 -9.956 -0.433 -16.260 1.00 0.00 O ATOM 0 H SER A 83 -10.795 -3.897 -14.974 1.00 0.00 H new ATOM 0 HA SER A 83 -9.611 -2.547 -17.322 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.722 -1.729 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.008 -1.394 -14.693 1.00 0.00 H new ATOM 0 HG SER A 83 -10.159 0.357 -15.717 1.00 0.00 H new ATOM 1352 N GLU A 84 -7.866 -4.425 -15.485 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.481 -4.893 -15.201 1.00 0.00 C ATOM 1354 C GLU A 84 -5.662 -4.874 -16.488 1.00 0.00 C ATOM 1355 O GLU A 84 -4.573 -4.339 -16.528 1.00 0.00 O ATOM 1356 CB GLU A 84 -6.517 -6.318 -14.635 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.298 -6.542 -13.736 1.00 0.00 C ATOM 1358 CD GLU A 84 -4.821 -7.989 -13.876 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -5.614 -8.880 -13.618 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -3.673 -8.181 -14.238 1.00 0.00 O ATOM 0 H GLU A 84 -8.607 -5.084 -15.247 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.022 -4.229 -14.468 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.434 -6.472 -14.067 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.520 -7.044 -15.448 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.498 -5.856 -14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.555 -6.331 -12.698 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.172 -5.438 -17.547 1.00 0.00 N ATOM 1368 CA ALA A 85 -5.403 -5.423 -18.821 1.00 0.00 C ATOM 1369 C ALA A 85 -5.184 -3.968 -19.243 1.00 0.00 C ATOM 1370 O ALA A 85 -4.354 -3.671 -20.081 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.190 -6.162 -19.906 1.00 0.00 C ATOM 0 H ALA A 85 -7.078 -5.904 -17.586 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.442 -5.918 -18.682 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.625 -6.150 -20.838 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.356 -7.194 -19.596 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.151 -5.670 -20.058 1.00 0.00 H new ATOM 1377 N LYS A 86 -5.922 -3.059 -18.662 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.758 -1.622 -19.019 1.00 0.00 C ATOM 1379 C LYS A 86 -4.754 -0.967 -18.066 1.00 0.00 C ATOM 1380 O LYS A 86 -3.743 -0.439 -18.487 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.108 -0.908 -18.912 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.136 0.273 -19.884 1.00 0.00 C ATOM 1383 CD LYS A 86 -8.161 1.304 -19.409 1.00 0.00 C ATOM 1384 CE LYS A 86 -7.465 2.351 -18.538 1.00 0.00 C ATOM 1385 NZ LYS A 86 -7.867 3.715 -18.984 1.00 0.00 N ATOM 0 H LYS A 86 -6.632 -3.251 -17.955 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.389 -1.545 -20.042 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.918 -1.601 -19.141 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.267 -0.558 -17.892 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.148 0.729 -19.946 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.391 -0.073 -20.886 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.634 1.784 -20.266 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.952 0.812 -18.843 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.733 2.205 -17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.383 2.238 -18.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.394 4.427 -18.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.590 3.851 -19.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.898 3.820 -18.894 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.021 -0.985 -16.784 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.063 -0.346 -15.828 1.00 0.00 C ATOM 1401 C LEU A 87 -2.663 -0.860 -16.104 1.00 0.00 C ATOM 1402 O LEU A 87 -1.741 -0.104 -16.336 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.402 -0.676 -14.368 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.338 -1.882 -14.267 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.917 -2.753 -13.082 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.768 -1.390 -14.042 1.00 0.00 C ATOM 0 H LEU A 87 -5.848 -1.408 -16.362 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.131 0.732 -15.972 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.484 -0.880 -13.818 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.870 0.189 -13.898 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.286 -2.464 -15.187 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.583 -3.613 -13.008 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.894 -3.098 -13.229 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.975 -2.170 -12.163 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.440 -2.245 -13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.813 -0.813 -13.118 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.072 -0.760 -14.878 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.506 -2.142 -16.070 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.177 -2.740 -16.318 1.00 0.00 C ATOM 1420 C VAL A 88 -0.481 -2.014 -17.470 1.00 0.00 C ATOM 1421 O VAL A 88 0.725 -1.869 -17.485 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.378 -4.183 -16.709 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -1.953 -4.970 -15.527 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.353 -4.237 -17.884 1.00 0.00 C ATOM 0 H VAL A 88 -3.251 -2.812 -15.878 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.564 -2.658 -15.421 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.423 -4.625 -16.993 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.095 -6.011 -15.818 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.262 -4.919 -14.686 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.912 -4.540 -15.236 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.510 -5.274 -18.180 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.305 -3.797 -17.587 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.941 -3.679 -18.725 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.228 -1.555 -18.435 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.595 -0.840 -19.578 1.00 0.00 C ATOM 1436 C GLU A 89 0.248 0.301 -19.017 1.00 0.00 C ATOM 1437 O GLU A 89 1.279 0.655 -19.555 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.678 -0.275 -20.499 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.070 0.045 -21.865 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.830 1.209 -22.501 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -1.547 2.342 -22.144 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -2.682 0.950 -23.335 1.00 0.00 O ATOM 0 H GLU A 89 -2.243 -1.643 -18.482 1.00 0.00 H new ATOM 0 HA GLU A 89 0.029 -1.525 -20.151 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.488 -0.995 -20.610 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.109 0.625 -20.061 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.016 0.302 -21.755 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.119 -0.832 -22.511 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.172 0.860 -17.919 1.00 0.00 N ATOM 1450 CA GLN A 90 0.610 1.956 -17.293 1.00 0.00 C ATOM 1451 C GLN A 90 1.652 1.328 -16.367 1.00 0.00 C ATOM 1452 O GLN A 90 2.644 1.935 -16.021 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.325 2.855 -16.480 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.765 4.045 -17.335 1.00 0.00 C ATOM 1455 CD GLN A 90 -1.334 5.140 -16.431 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -1.229 5.063 -15.224 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -1.936 6.165 -16.970 1.00 0.00 N ATOM 0 H GLN A 90 -1.028 0.603 -17.427 1.00 0.00 H new ATOM 0 HA GLN A 90 1.099 2.558 -18.059 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.196 2.288 -16.152 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.183 3.207 -15.582 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.081 4.431 -17.903 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.517 3.729 -18.058 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.024 6.229 -17.984 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.318 6.902 -16.377 1.00 0.00 H new ATOM 1466 N ALA A 91 1.424 0.103 -15.970 1.00 0.00 N ATOM 1467 CA ALA A 91 2.386 -0.588 -15.071 1.00 0.00 C ATOM 1468 C ALA A 91 3.703 -0.824 -15.814 1.00 0.00 C ATOM 1469 O ALA A 91 4.723 -0.252 -15.486 1.00 0.00 O ATOM 1470 CB ALA A 91 1.803 -1.928 -14.623 1.00 0.00 C ATOM 0 H ALA A 91 0.607 -0.449 -16.233 1.00 0.00 H new ATOM 0 HA ALA A 91 2.570 0.034 -14.195 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.511 -2.431 -13.964 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.868 -1.758 -14.089 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.613 -2.552 -15.496 1.00 0.00 H new ATOM 1476 N PHE A 92 3.689 -1.662 -16.815 1.00 0.00 N ATOM 1477 CA PHE A 92 4.939 -1.932 -17.580 1.00 0.00 C ATOM 1478 C PHE A 92 5.281 -0.711 -18.437 1.00 0.00 C ATOM 1479 O PHE A 92 5.118 -0.719 -19.641 1.00 0.00 O ATOM 1480 CB PHE A 92 4.734 -3.150 -18.485 1.00 0.00 C ATOM 1481 CG PHE A 92 3.810 -4.131 -17.803 1.00 0.00 C ATOM 1482 CD1 PHE A 92 4.123 -4.615 -16.528 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.639 -4.555 -18.445 1.00 0.00 C ATOM 1484 CE1 PHE A 92 3.267 -5.523 -15.893 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.784 -5.464 -17.811 1.00 0.00 C ATOM 1486 CZ PHE A 92 2.097 -5.947 -16.534 1.00 0.00 C ATOM 0 H PHE A 92 2.866 -2.171 -17.136 1.00 0.00 H new ATOM 0 HA PHE A 92 5.755 -2.132 -16.886 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.312 -2.840 -19.441 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.692 -3.624 -18.698 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.026 -4.288 -16.033 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.396 -4.181 -19.429 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.509 -5.896 -14.909 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.883 -5.793 -18.307 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.436 -6.646 -16.044 1.00 0.00 H new ATOM 1496 N ARG A 93 5.751 0.341 -17.824 1.00 0.00 N ATOM 1497 CA ARG A 93 6.099 1.565 -18.602 1.00 0.00 C ATOM 1498 C ARG A 93 6.841 2.548 -17.695 1.00 0.00 C ATOM 1499 O ARG A 93 6.437 2.803 -16.578 1.00 0.00 O ATOM 1500 CB ARG A 93 4.814 2.216 -19.119 1.00 0.00 C ATOM 1501 CG ARG A 93 5.154 3.519 -19.845 1.00 0.00 C ATOM 1502 CD ARG A 93 5.213 3.262 -21.353 1.00 0.00 C ATOM 1503 NE ARG A 93 4.730 4.467 -22.083 1.00 0.00 N ATOM 1504 CZ ARG A 93 5.102 4.676 -23.317 1.00 0.00 C ATOM 1505 NH1 ARG A 93 4.986 3.726 -24.204 1.00 0.00 N ATOM 1506 NH2 ARG A 93 5.590 5.835 -23.664 1.00 0.00 N ATOM 0 H ARG A 93 5.909 0.406 -16.818 1.00 0.00 H new ATOM 0 HA ARG A 93 6.736 1.297 -19.444 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.297 1.536 -19.795 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.137 2.417 -18.289 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.403 4.278 -19.624 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.111 3.905 -19.493 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.234 3.028 -21.653 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.599 2.398 -21.610 1.00 0.00 H new ATOM 0 HE ARG A 93 4.108 5.129 -21.619 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.605 2.820 -23.934 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.277 3.890 -25.168 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.681 6.578 -22.971 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.881 5.998 -24.628 1.00 0.00 H new