USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 18 SER OG : rot 26:sc= 1.1 USER MOD Set 1.2: A 32 HIS : no HE2:sc= -8.85! C(o=-7.8!,f=-9.4!) USER MOD Set 2.1: A 6 TYR OH : rot 103:sc= 1.46 USER MOD Set 2.2: A 14 GLN : amide:sc= -1.82 K(o=0.56,f=1.8) USER MOD Set 2.3: A 37 TYR OH : rot 106:sc= 0.92 USER MOD Set 3.1: A 8 TYR OH : rot 8:sc= 0.35 USER MOD Set 3.2: A 40 TYR OH : rot 180:sc= 0.532 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.24! C(o=-5.2!,f=-5!) USER MOD Single : A 17 SER OG : rot 89:sc= -2.32! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -1 K(o=-1,f=-1.8) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -88:sc= 1.12 USER MOD Single : A 34 THR OG1 : rot -74:sc= -2.39! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 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= -4.79! K(o=-4.8!,f=-1.9) USER MOD Single : A 49 ASN : amide:sc=-0.00719 X(o=-0.0072,f=-0.42) USER MOD Single : A 50 SER OG : rot 77:sc= -1.18 USER MOD Single : A 53 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.18) USER MOD Single : A 54 ASN : amide:sc= -8.55! C(o=-8.6!,f=-5.2!) USER MOD Single : A 56 SER OG : rot 92:sc= 0.992 USER MOD Single : A 58 ASN : amide:sc= -7.42! C(o=-7.4!,f=-14!) USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00858 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 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.0224 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 8.754 2.870 -7.153 1.00 0.00 N ATOM 80 CA TYR A 6 8.515 2.069 -8.373 1.00 0.00 C ATOM 81 C TYR A 6 7.343 2.719 -9.085 1.00 0.00 C ATOM 82 O TYR A 6 6.723 3.614 -8.546 1.00 0.00 O ATOM 83 CB TYR A 6 8.165 0.627 -7.996 1.00 0.00 C ATOM 84 CG TYR A 6 8.889 0.244 -6.725 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.268 0.007 -6.748 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.178 0.121 -5.525 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.937 -0.354 -5.570 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.846 -0.239 -4.348 1.00 0.00 C ATOM 89 CZ TYR A 6 10.225 -0.477 -4.372 1.00 0.00 C ATOM 90 OH TYR A 6 10.883 -0.835 -3.213 1.00 0.00 O ATOM 0 HA TYR A 6 9.400 2.039 -9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.088 0.528 -7.857 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.445 -0.049 -8.804 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.817 0.102 -7.673 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.114 0.304 -5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.001 -0.537 -5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.297 -0.333 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 6 11.008 -0.043 -2.650 1.00 0.00 H new ATOM 100 N SER A 7 7.024 2.311 -10.279 1.00 0.00 N ATOM 101 CA SER A 7 5.878 2.964 -10.966 1.00 0.00 C ATOM 102 C SER A 7 4.731 3.019 -9.967 1.00 0.00 C ATOM 103 O SER A 7 4.744 2.318 -8.979 1.00 0.00 O ATOM 104 CB SER A 7 5.466 2.139 -12.186 1.00 0.00 C ATOM 105 OG SER A 7 6.488 2.212 -13.172 1.00 0.00 O ATOM 0 H SER A 7 7.494 1.571 -10.800 1.00 0.00 H new ATOM 0 HA SER A 7 6.146 3.964 -11.306 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.297 1.102 -11.897 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.526 2.514 -12.592 1.00 0.00 H new ATOM 0 HG SER A 7 6.227 1.682 -13.954 1.00 0.00 H new ATOM 111 N TYR A 8 3.747 3.838 -10.174 1.00 0.00 N ATOM 112 CA TYR A 8 2.646 3.884 -9.178 1.00 0.00 C ATOM 113 C TYR A 8 1.683 2.724 -9.432 1.00 0.00 C ATOM 114 O TYR A 8 0.624 2.638 -8.847 1.00 0.00 O ATOM 115 CB TYR A 8 1.932 5.226 -9.254 1.00 0.00 C ATOM 116 CG TYR A 8 2.831 6.276 -8.648 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.371 6.080 -7.370 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.138 7.438 -9.363 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.213 7.044 -6.810 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.979 8.403 -8.803 1.00 0.00 C ATOM 121 CZ TYR A 8 4.518 8.208 -7.526 1.00 0.00 C ATOM 122 OH TYR A 8 5.349 9.160 -6.974 1.00 0.00 O ATOM 0 H TYR A 8 3.655 4.467 -10.972 1.00 0.00 H new ATOM 0 HA TYR A 8 3.052 3.780 -8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.701 5.475 -10.290 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.984 5.183 -8.718 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.136 5.183 -6.817 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.725 7.590 -10.349 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.629 6.891 -5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.213 9.300 -9.356 1.00 0.00 H new ATOM 0 HH TYR A 8 5.741 8.812 -6.146 1.00 0.00 H new ATOM 132 N ALA A 9 2.076 1.812 -10.283 1.00 0.00 N ATOM 133 CA ALA A 9 1.237 0.618 -10.570 1.00 0.00 C ATOM 134 C ALA A 9 2.003 -0.618 -10.075 1.00 0.00 C ATOM 135 O ALA A 9 1.424 -1.605 -9.677 1.00 0.00 O ATOM 136 CB ALA A 9 0.990 0.508 -12.075 1.00 0.00 C ATOM 0 H ALA A 9 2.956 1.848 -10.797 1.00 0.00 H new ATOM 0 HA ALA A 9 0.273 0.697 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.375 -0.368 -12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.475 1.403 -12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.944 0.411 -12.594 1.00 0.00 H new ATOM 142 N GLN A 10 3.312 -0.541 -10.072 1.00 0.00 N ATOM 143 CA GLN A 10 4.156 -1.670 -9.574 1.00 0.00 C ATOM 144 C GLN A 10 4.399 -1.441 -8.090 1.00 0.00 C ATOM 145 O GLN A 10 4.635 -2.354 -7.324 1.00 0.00 O ATOM 146 CB GLN A 10 5.500 -1.657 -10.306 1.00 0.00 C ATOM 147 CG GLN A 10 6.384 -2.785 -9.776 1.00 0.00 C ATOM 148 CD GLN A 10 7.828 -2.544 -10.217 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.138 -2.623 -11.390 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.732 -2.253 -9.322 1.00 0.00 N ATOM 0 H GLN A 10 3.838 0.269 -10.399 1.00 0.00 H new ATOM 0 HA GLN A 10 3.661 -2.626 -9.746 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.343 -1.778 -11.378 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.994 -0.696 -10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.326 -2.828 -8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.032 -3.746 -10.152 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.472 -2.187 -8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.698 -2.092 -9.607 1.00 0.00 H new ATOM 159 N LEU A 11 4.329 -0.205 -7.692 1.00 0.00 N ATOM 160 CA LEU A 11 4.535 0.157 -6.272 1.00 0.00 C ATOM 161 C LEU A 11 3.311 -0.315 -5.488 1.00 0.00 C ATOM 162 O LEU A 11 3.399 -0.715 -4.346 1.00 0.00 O ATOM 163 CB LEU A 11 4.691 1.678 -6.204 1.00 0.00 C ATOM 164 CG LEU A 11 4.558 2.182 -4.776 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.945 2.323 -4.157 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.888 3.550 -4.815 1.00 0.00 C ATOM 0 H LEU A 11 4.133 0.585 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 11 5.423 -0.310 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.664 1.965 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.936 2.152 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 11 3.967 1.484 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.851 2.684 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.443 1.353 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.533 3.032 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.782 3.932 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.499 4.238 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.903 3.460 -5.274 1.00 0.00 H new ATOM 178 N ILE A 12 2.176 -0.298 -6.124 1.00 0.00 N ATOM 179 CA ILE A 12 0.927 -0.775 -5.459 1.00 0.00 C ATOM 180 C ILE A 12 0.992 -2.294 -5.318 1.00 0.00 C ATOM 181 O ILE A 12 0.644 -2.856 -4.301 1.00 0.00 O ATOM 182 CB ILE A 12 -0.277 -0.455 -6.331 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.136 0.921 -6.985 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.535 -0.492 -5.481 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.358 1.944 -5.969 1.00 0.00 C ATOM 0 H ILE A 12 2.055 0.028 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 12 0.836 -0.288 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.339 -1.201 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.561 0.864 -7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.096 1.238 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.401 -0.263 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.652 -1.485 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.456 0.246 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.453 2.918 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.354 2.013 -5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.329 1.634 -5.583 1.00 0.00 H new ATOM 197 N VAL A 13 1.409 -2.958 -6.359 1.00 0.00 N ATOM 198 CA VAL A 13 1.490 -4.443 -6.328 1.00 0.00 C ATOM 199 C VAL A 13 2.296 -4.893 -5.111 1.00 0.00 C ATOM 200 O VAL A 13 2.014 -5.912 -4.520 1.00 0.00 O ATOM 201 CB VAL A 13 2.162 -4.922 -7.610 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.373 -6.436 -7.556 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.259 -4.563 -8.789 1.00 0.00 C ATOM 0 H VAL A 13 1.700 -2.530 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 13 0.489 -4.869 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 13 3.134 -4.443 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.854 -6.769 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.007 -6.685 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.409 -6.934 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.722 -4.898 -9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.292 -5.052 -8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.117 -3.483 -8.823 1.00 0.00 H new ATOM 213 N GLN A 14 3.284 -4.142 -4.716 1.00 0.00 N ATOM 214 CA GLN A 14 4.072 -4.544 -3.518 1.00 0.00 C ATOM 215 C GLN A 14 3.207 -4.307 -2.280 1.00 0.00 C ATOM 216 O GLN A 14 3.320 -4.986 -1.282 1.00 0.00 O ATOM 217 CB GLN A 14 5.344 -3.699 -3.424 1.00 0.00 C ATOM 218 CG GLN A 14 6.176 -4.157 -2.224 1.00 0.00 C ATOM 219 CD GLN A 14 7.651 -3.834 -2.473 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.526 -4.463 -1.913 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.963 -2.872 -3.298 1.00 0.00 N ATOM 0 H GLN A 14 3.579 -3.275 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 14 4.355 -5.594 -3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.926 -3.796 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.086 -2.645 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.832 -3.659 -1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.049 -5.228 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.227 -2.344 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.943 -2.648 -3.473 1.00 0.00 H new ATOM 230 N ALA A 15 2.347 -3.330 -2.353 1.00 0.00 N ATOM 231 CA ALA A 15 1.456 -3.004 -1.205 1.00 0.00 C ATOM 232 C ALA A 15 0.429 -4.121 -0.964 1.00 0.00 C ATOM 233 O ALA A 15 0.346 -4.667 0.119 1.00 0.00 O ATOM 234 CB ALA A 15 0.715 -1.698 -1.501 1.00 0.00 C ATOM 0 H ALA A 15 2.222 -2.735 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 15 2.070 -2.901 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.061 -1.453 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.437 -0.894 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.119 -1.815 -2.406 1.00 0.00 H new ATOM 240 N ILE A 16 -0.376 -4.454 -1.944 1.00 0.00 N ATOM 241 CA ILE A 16 -1.406 -5.522 -1.713 1.00 0.00 C ATOM 242 C ILE A 16 -0.796 -6.918 -1.832 1.00 0.00 C ATOM 243 O ILE A 16 -1.266 -7.859 -1.225 1.00 0.00 O ATOM 244 CB ILE A 16 -2.557 -5.411 -2.710 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.072 -4.910 -4.068 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.603 -4.438 -2.174 1.00 0.00 C ATOM 247 CD1 ILE A 16 -1.033 -5.858 -4.663 1.00 0.00 C ATOM 0 H ILE A 16 -0.368 -4.043 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.785 -5.374 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.986 -6.405 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.918 -4.819 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.641 -3.915 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.425 -4.359 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.983 -4.802 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.149 -3.457 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.705 -5.477 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.178 -5.928 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.474 -6.846 -4.793 1.00 0.00 H new ATOM 259 N SER A 17 0.241 -7.069 -2.597 1.00 0.00 N ATOM 260 CA SER A 17 0.860 -8.411 -2.723 1.00 0.00 C ATOM 261 C SER A 17 1.485 -8.751 -1.382 1.00 0.00 C ATOM 262 O SER A 17 1.784 -9.890 -1.083 1.00 0.00 O ATOM 263 CB SER A 17 1.935 -8.387 -3.808 1.00 0.00 C ATOM 264 OG SER A 17 1.332 -8.059 -5.053 1.00 0.00 O ATOM 0 H SER A 17 0.685 -6.327 -3.138 1.00 0.00 H new ATOM 0 HA SER A 17 0.113 -9.156 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.705 -7.656 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.426 -9.358 -3.872 1.00 0.00 H new ATOM 0 HG SER A 17 1.321 -7.085 -5.165 1.00 0.00 H new ATOM 270 N SER A 18 1.669 -7.754 -0.563 1.00 0.00 N ATOM 271 CA SER A 18 2.256 -7.988 0.774 1.00 0.00 C ATOM 272 C SER A 18 1.174 -7.789 1.833 1.00 0.00 C ATOM 273 O SER A 18 1.414 -7.973 3.009 1.00 0.00 O ATOM 274 CB SER A 18 3.394 -7.000 1.019 1.00 0.00 C ATOM 275 OG SER A 18 3.483 -6.720 2.410 1.00 0.00 O ATOM 0 H SER A 18 1.435 -6.783 -0.769 1.00 0.00 H new ATOM 0 HA SER A 18 2.647 -9.004 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.335 -7.416 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.218 -6.080 0.462 1.00 0.00 H new ATOM 0 HG SER A 18 3.125 -7.477 2.920 1.00 0.00 H new ATOM 281 N ALA A 19 -0.023 -7.419 1.440 1.00 0.00 N ATOM 282 CA ALA A 19 -1.079 -7.229 2.466 1.00 0.00 C ATOM 283 C ALA A 19 -1.800 -8.556 2.672 1.00 0.00 C ATOM 284 O ALA A 19 -2.038 -9.282 1.725 1.00 0.00 O ATOM 285 CB ALA A 19 -2.076 -6.170 1.990 1.00 0.00 C ATOM 0 H ALA A 19 -0.303 -7.246 0.475 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.632 -6.897 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.850 -6.033 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.555 -5.226 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.534 -6.495 1.056 1.00 0.00 H new ATOM 291 N GLN A 20 -2.151 -8.886 3.896 1.00 0.00 N ATOM 292 CA GLN A 20 -2.869 -10.177 4.144 1.00 0.00 C ATOM 293 C GLN A 20 -3.869 -10.372 3.013 1.00 0.00 C ATOM 294 O GLN A 20 -3.774 -11.293 2.226 1.00 0.00 O ATOM 295 CB GLN A 20 -3.623 -10.122 5.479 1.00 0.00 C ATOM 296 CG GLN A 20 -2.843 -9.279 6.489 1.00 0.00 C ATOM 297 CD GLN A 20 -3.146 -9.768 7.907 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.261 -10.206 8.613 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.370 -9.709 8.356 1.00 0.00 N ATOM 0 H GLN A 20 -1.972 -8.321 4.726 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.154 -10.999 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.615 -9.697 5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.764 -11.131 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.774 -9.351 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.116 -8.229 6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.114 -9.341 7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.583 -10.031 9.300 1.00 0.00 H new ATOM 308 N ASP A 21 -4.798 -9.474 2.906 1.00 0.00 N ATOM 309 CA ASP A 21 -5.782 -9.549 1.806 1.00 0.00 C ATOM 310 C ASP A 21 -5.245 -8.720 0.630 1.00 0.00 C ATOM 311 O ASP A 21 -4.830 -7.591 0.802 1.00 0.00 O ATOM 312 CB ASP A 21 -7.116 -8.973 2.279 1.00 0.00 C ATOM 313 CG ASP A 21 -8.265 -9.701 1.579 1.00 0.00 C ATOM 314 OD1 ASP A 21 -8.543 -10.828 1.954 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.847 -9.119 0.679 1.00 0.00 O ATOM 0 H ASP A 21 -4.918 -8.684 3.540 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.934 -10.583 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.208 -9.081 3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.161 -7.906 2.061 1.00 0.00 H new ATOM 320 N ARG A 22 -5.248 -9.258 -0.561 1.00 0.00 N ATOM 321 CA ARG A 22 -4.739 -8.493 -1.739 1.00 0.00 C ATOM 322 C ARG A 22 -5.544 -7.195 -1.929 1.00 0.00 C ATOM 323 O ARG A 22 -5.240 -6.392 -2.793 1.00 0.00 O ATOM 324 CB ARG A 22 -4.874 -9.357 -2.994 1.00 0.00 C ATOM 325 CG ARG A 22 -3.774 -10.419 -3.005 1.00 0.00 C ATOM 326 CD ARG A 22 -4.041 -11.445 -1.902 1.00 0.00 C ATOM 327 NE ARG A 22 -3.286 -12.696 -2.197 1.00 0.00 N ATOM 328 CZ ARG A 22 -3.262 -13.667 -1.325 1.00 0.00 C ATOM 329 NH1 ARG A 22 -3.725 -13.476 -0.121 1.00 0.00 N ATOM 330 NH2 ARG A 22 -2.777 -14.831 -1.658 1.00 0.00 N ATOM 0 H ARG A 22 -5.582 -10.199 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.693 -8.236 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.854 -9.834 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.802 -8.735 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.742 -10.914 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.801 -9.951 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.738 -11.043 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.108 -11.658 -1.838 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.787 -12.793 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.107 -12.567 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.706 -14.236 0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.416 -14.983 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.758 -15.590 -0.976 1.00 0.00 H new ATOM 344 N GLN A 23 -6.567 -6.983 -1.139 1.00 0.00 N ATOM 345 CA GLN A 23 -7.376 -5.742 -1.274 1.00 0.00 C ATOM 346 C GLN A 23 -6.897 -4.710 -0.251 1.00 0.00 C ATOM 347 O GLN A 23 -6.903 -4.957 0.940 1.00 0.00 O ATOM 348 CB GLN A 23 -8.852 -6.070 -1.016 1.00 0.00 C ATOM 349 CG GLN A 23 -9.085 -6.246 0.488 1.00 0.00 C ATOM 350 CD GLN A 23 -10.478 -6.830 0.729 1.00 0.00 C ATOM 351 OE1 GLN A 23 -11.342 -6.738 -0.121 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.733 -7.434 1.857 1.00 0.00 N ATOM 0 H GLN A 23 -6.874 -7.621 -0.405 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.262 -5.337 -2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.485 -5.271 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -9.131 -6.981 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.326 -6.905 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.990 -5.286 0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.007 -7.511 2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.658 -7.829 2.026 1.00 0.00 H new ATOM 361 N LEU A 24 -6.492 -3.556 -0.698 1.00 0.00 N ATOM 362 CA LEU A 24 -6.026 -2.517 0.256 1.00 0.00 C ATOM 363 C LEU A 24 -6.945 -1.302 0.165 1.00 0.00 C ATOM 364 O LEU A 24 -7.518 -1.022 -0.871 1.00 0.00 O ATOM 365 CB LEU A 24 -4.602 -2.085 -0.097 1.00 0.00 C ATOM 366 CG LEU A 24 -3.602 -3.057 0.528 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.177 -2.609 0.197 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.794 -3.067 2.048 1.00 0.00 C ATOM 0 H LEU A 24 -6.464 -3.288 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.042 -2.927 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.476 -2.063 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.417 -1.074 0.266 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.767 -4.058 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.465 -3.303 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.042 -2.596 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.008 -1.609 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.083 -3.759 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.626 -2.065 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.810 -3.384 2.284 1.00 0.00 H new ATOM 380 N THR A 25 -7.069 -0.561 1.227 1.00 0.00 N ATOM 381 CA THR A 25 -7.924 0.649 1.172 1.00 0.00 C ATOM 382 C THR A 25 -7.117 1.740 0.485 1.00 0.00 C ATOM 383 O THR A 25 -5.934 1.587 0.253 1.00 0.00 O ATOM 384 CB THR A 25 -8.295 1.098 2.588 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.132 1.579 3.249 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.878 -0.081 3.366 1.00 0.00 C ATOM 0 H THR A 25 -6.618 -0.740 2.124 1.00 0.00 H new ATOM 0 HA THR A 25 -8.846 0.442 0.628 1.00 0.00 H new ATOM 0 HB THR A 25 -9.038 1.893 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.367 1.869 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.141 0.242 4.373 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.770 -0.447 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.139 -0.880 3.423 1.00 0.00 H new ATOM 394 N LEU A 26 -7.722 2.834 0.149 1.00 0.00 N ATOM 395 CA LEU A 26 -6.940 3.904 -0.523 1.00 0.00 C ATOM 396 C LEU A 26 -5.824 4.365 0.418 1.00 0.00 C ATOM 397 O LEU A 26 -4.746 4.728 -0.010 1.00 0.00 O ATOM 398 CB LEU A 26 -7.843 5.087 -0.886 1.00 0.00 C ATOM 399 CG LEU A 26 -7.586 5.468 -2.340 1.00 0.00 C ATOM 400 CD1 LEU A 26 -8.632 6.491 -2.788 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.188 6.078 -2.457 1.00 0.00 C ATOM 0 H LEU A 26 -8.709 3.037 0.306 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.511 3.512 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.890 4.821 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.638 5.934 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.653 4.583 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.451 6.765 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.628 6.058 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.564 7.380 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.997 6.353 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.125 6.966 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.445 5.350 -2.132 1.00 0.00 H new ATOM 413 N SER A 27 -6.073 4.347 1.699 1.00 0.00 N ATOM 414 CA SER A 27 -5.028 4.780 2.670 1.00 0.00 C ATOM 415 C SER A 27 -4.324 3.557 3.272 1.00 0.00 C ATOM 416 O SER A 27 -3.847 3.596 4.388 1.00 0.00 O ATOM 417 CB SER A 27 -5.683 5.580 3.792 1.00 0.00 C ATOM 418 OG SER A 27 -5.770 6.946 3.406 1.00 0.00 O ATOM 0 H SER A 27 -6.956 4.051 2.116 1.00 0.00 H new ATOM 0 HA SER A 27 -4.294 5.396 2.149 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.677 5.186 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.101 5.486 4.709 1.00 0.00 H new ATOM 0 HG SER A 27 -6.192 7.463 4.124 1.00 0.00 H new ATOM 424 N GLY A 28 -4.245 2.473 2.547 1.00 0.00 N ATOM 425 CA GLY A 28 -3.561 1.264 3.097 1.00 0.00 C ATOM 426 C GLY A 28 -2.164 1.186 2.498 1.00 0.00 C ATOM 427 O GLY A 28 -1.176 0.997 3.179 1.00 0.00 O ATOM 0 H GLY A 28 -4.621 2.371 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.504 1.322 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.128 0.365 2.855 1.00 0.00 H new ATOM 431 N ILE A 29 -2.100 1.339 1.214 1.00 0.00 N ATOM 432 CA ILE A 29 -0.813 1.291 0.487 1.00 0.00 C ATOM 433 C ILE A 29 0.160 2.289 1.085 1.00 0.00 C ATOM 434 O ILE A 29 1.359 2.100 1.078 1.00 0.00 O ATOM 435 CB ILE A 29 -1.094 1.682 -0.944 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.183 1.579 -1.766 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.622 3.117 -0.986 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.024 2.336 -3.065 1.00 0.00 C ATOM 0 H ILE A 29 -2.913 1.501 0.619 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.377 0.294 0.552 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.842 1.009 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.025 1.996 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.421 0.535 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.825 3.400 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.541 3.184 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.876 3.791 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.881 2.275 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.858 1.897 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.244 3.381 -2.846 1.00 0.00 H new ATOM 450 N TYR A 30 -0.357 3.355 1.591 1.00 0.00 N ATOM 451 CA TYR A 30 0.515 4.391 2.189 1.00 0.00 C ATOM 452 C TYR A 30 1.162 3.826 3.444 1.00 0.00 C ATOM 453 O TYR A 30 2.352 3.939 3.644 1.00 0.00 O ATOM 454 CB TYR A 30 -0.338 5.611 2.503 1.00 0.00 C ATOM 455 CG TYR A 30 -1.111 5.960 1.253 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.521 5.767 -0.004 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.415 6.449 1.342 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.232 6.065 -1.168 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.128 6.750 0.176 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.539 6.557 -1.079 1.00 0.00 C ATOM 461 OH TYR A 30 -3.246 6.856 -2.226 1.00 0.00 O ATOM 0 H TYR A 30 -1.356 3.560 1.619 1.00 0.00 H new ATOM 0 HA TYR A 30 1.308 4.686 1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.018 5.401 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.289 6.448 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.487 5.386 -0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.873 6.595 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.774 5.916 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.136 7.132 0.245 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.059 7.780 -2.494 1.00 0.00 H new ATOM 471 N ALA A 31 0.400 3.183 4.274 1.00 0.00 N ATOM 472 CA ALA A 31 0.998 2.575 5.489 1.00 0.00 C ATOM 473 C ALA A 31 1.926 1.438 5.045 1.00 0.00 C ATOM 474 O ALA A 31 2.754 0.967 5.798 1.00 0.00 O ATOM 475 CB ALA A 31 -0.107 2.015 6.386 1.00 0.00 C ATOM 0 H ALA A 31 -0.606 3.051 4.166 1.00 0.00 H new ATOM 0 HA ALA A 31 1.557 3.325 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.338 1.570 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.780 2.820 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.667 1.255 5.842 1.00 0.00 H new ATOM 481 N HIS A 32 1.787 0.996 3.818 1.00 0.00 N ATOM 482 CA HIS A 32 2.652 -0.108 3.313 1.00 0.00 C ATOM 483 C HIS A 32 4.047 0.427 2.971 1.00 0.00 C ATOM 484 O HIS A 32 5.022 0.104 3.619 1.00 0.00 O ATOM 485 CB HIS A 32 2.027 -0.706 2.051 1.00 0.00 C ATOM 486 CG HIS A 32 2.976 -1.717 1.473 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.959 -3.048 1.858 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.988 -1.605 0.551 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.936 -3.678 1.179 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.593 -2.845 0.367 1.00 0.00 N ATOM 0 H HIS A 32 1.109 1.355 3.146 1.00 0.00 H new ATOM 0 HA HIS A 32 2.738 -0.871 4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.073 -1.177 2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.822 0.079 1.323 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.323 -3.473 2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.271 -0.693 0.046 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.161 -4.730 1.279 1.00 0.00 H new ATOM 498 N ILE A 33 4.147 1.234 1.947 1.00 0.00 N ATOM 499 CA ILE A 33 5.476 1.788 1.548 1.00 0.00 C ATOM 500 C ILE A 33 6.049 2.627 2.692 1.00 0.00 C ATOM 501 O ILE A 33 7.239 2.669 2.915 1.00 0.00 O ATOM 502 CB ILE A 33 5.303 2.676 0.320 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.242 3.734 0.610 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.867 1.824 -0.872 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.928 5.041 1.012 1.00 0.00 C ATOM 0 H ILE A 33 3.363 1.534 1.368 1.00 0.00 H new ATOM 0 HA ILE A 33 6.156 0.966 1.321 1.00 0.00 H new ATOM 0 HB ILE A 33 6.249 3.163 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.620 3.892 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.583 3.395 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.744 2.460 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.626 1.068 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.920 1.335 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.173 5.799 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.532 4.876 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.569 5.381 0.198 1.00 0.00 H new ATOM 517 N THR A 34 5.214 3.300 3.419 1.00 0.00 N ATOM 518 CA THR A 34 5.728 4.128 4.543 1.00 0.00 C ATOM 519 C THR A 34 6.498 3.220 5.504 1.00 0.00 C ATOM 520 O THR A 34 7.392 3.654 6.205 1.00 0.00 O ATOM 521 CB THR A 34 4.555 4.789 5.273 1.00 0.00 C ATOM 522 OG1 THR A 34 3.592 3.803 5.614 1.00 0.00 O ATOM 523 CG2 THR A 34 3.917 5.838 4.364 1.00 0.00 C ATOM 0 H THR A 34 4.203 3.316 3.289 1.00 0.00 H new ATOM 0 HA THR A 34 6.388 4.908 4.164 1.00 0.00 H new ATOM 0 HB THR A 34 4.916 5.270 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.101 3.533 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.082 6.309 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.658 6.595 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.555 5.359 3.454 1.00 0.00 H new ATOM 531 N LYS A 35 6.167 1.957 5.528 1.00 0.00 N ATOM 532 CA LYS A 35 6.885 1.006 6.425 1.00 0.00 C ATOM 533 C LYS A 35 8.140 0.488 5.714 1.00 0.00 C ATOM 534 O LYS A 35 9.243 0.636 6.201 1.00 0.00 O ATOM 535 CB LYS A 35 5.970 -0.172 6.770 1.00 0.00 C ATOM 536 CG LYS A 35 5.303 0.076 8.124 1.00 0.00 C ATOM 537 CD LYS A 35 4.220 -0.979 8.365 1.00 0.00 C ATOM 538 CE LYS A 35 4.874 -2.337 8.626 1.00 0.00 C ATOM 539 NZ LYS A 35 3.944 -3.194 9.416 1.00 0.00 N ATOM 0 H LYS A 35 5.427 1.541 4.962 1.00 0.00 H new ATOM 0 HA LYS A 35 7.169 1.520 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.212 -0.295 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.547 -1.096 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.047 0.036 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.864 1.074 8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.602 -0.692 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.561 -1.042 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.118 -2.822 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.811 -2.203 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.389 -4.117 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.732 -2.732 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.062 -3.332 8.883 1.00 0.00 H new ATOM 553 N HIS A 36 7.983 -0.111 4.560 1.00 0.00 N ATOM 554 CA HIS A 36 9.172 -0.628 3.821 1.00 0.00 C ATOM 555 C HIS A 36 9.996 0.560 3.332 1.00 0.00 C ATOM 556 O HIS A 36 11.147 0.719 3.686 1.00 0.00 O ATOM 557 CB HIS A 36 8.710 -1.458 2.622 1.00 0.00 C ATOM 558 CG HIS A 36 8.468 -2.874 3.061 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.505 -3.768 3.272 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.315 -3.566 3.338 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.962 -4.935 3.661 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.629 -4.867 3.717 1.00 0.00 N ATOM 0 H HIS A 36 7.085 -0.263 4.100 1.00 0.00 H new ATOM 0 HA HIS A 36 9.775 -1.256 4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.798 -1.035 2.202 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.464 -1.433 1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.316 -3.162 3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.534 -5.820 3.899 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.981 -5.609 3.981 1.00 0.00 H new ATOM 570 N TYR A 37 9.407 1.410 2.541 1.00 0.00 N ATOM 571 CA TYR A 37 10.153 2.606 2.055 1.00 0.00 C ATOM 572 C TYR A 37 10.200 3.628 3.200 1.00 0.00 C ATOM 573 O TYR A 37 9.174 4.124 3.622 1.00 0.00 O ATOM 574 CB TYR A 37 9.426 3.235 0.856 1.00 0.00 C ATOM 575 CG TYR A 37 10.088 2.823 -0.435 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.481 2.731 -0.521 1.00 0.00 C ATOM 577 CD2 TYR A 37 9.297 2.534 -1.552 1.00 0.00 C ATOM 578 CE1 TYR A 37 12.082 2.349 -1.727 1.00 0.00 C ATOM 579 CE2 TYR A 37 9.896 2.154 -2.756 1.00 0.00 C ATOM 580 CZ TYR A 37 11.290 2.061 -2.845 1.00 0.00 C ATOM 581 OH TYR A 37 11.883 1.686 -4.033 1.00 0.00 O ATOM 0 H TYR A 37 8.445 1.331 2.210 1.00 0.00 H new ATOM 0 HA TYR A 37 11.157 2.316 1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.381 2.924 0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.435 4.321 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 37 12.092 2.954 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.221 2.605 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.157 2.277 -1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.284 1.932 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 37 11.757 0.724 -4.172 1.00 0.00 H new ATOM 591 N PRO A 38 11.386 3.897 3.690 1.00 0.00 N ATOM 592 CA PRO A 38 11.586 4.838 4.810 1.00 0.00 C ATOM 593 C PRO A 38 11.449 6.292 4.350 1.00 0.00 C ATOM 594 O PRO A 38 10.931 7.127 5.064 1.00 0.00 O ATOM 595 CB PRO A 38 13.014 4.540 5.279 1.00 0.00 C ATOM 596 CG PRO A 38 13.735 3.872 4.086 1.00 0.00 C ATOM 597 CD PRO A 38 12.635 3.299 3.174 1.00 0.00 C ATOM 0 HA PRO A 38 10.845 4.715 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.524 5.456 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.008 3.881 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.347 4.596 3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.404 3.083 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.803 3.567 2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.605 2.211 3.223 1.00 0.00 H new ATOM 605 N TYR A 39 11.915 6.609 3.174 1.00 0.00 N ATOM 606 CA TYR A 39 11.810 8.017 2.694 1.00 0.00 C ATOM 607 C TYR A 39 10.343 8.428 2.578 1.00 0.00 C ATOM 608 O TYR A 39 9.921 9.415 3.148 1.00 0.00 O ATOM 609 CB TYR A 39 12.481 8.146 1.329 1.00 0.00 C ATOM 610 CG TYR A 39 12.318 9.560 0.830 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.071 10.000 0.368 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.411 10.435 0.837 1.00 0.00 C ATOM 613 CE1 TYR A 39 10.918 11.315 -0.087 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.257 11.750 0.383 1.00 0.00 C ATOM 615 CZ TYR A 39 12.011 12.190 -0.079 1.00 0.00 C ATOM 616 OH TYR A 39 11.859 13.487 -0.525 1.00 0.00 O ATOM 0 H TYR A 39 12.362 5.959 2.527 1.00 0.00 H new ATOM 0 HA TYR A 39 12.308 8.670 3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.539 7.894 1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.036 7.445 0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.228 9.325 0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.373 10.095 1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.957 11.655 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.100 12.425 0.389 1.00 0.00 H new ATOM 0 HH TYR A 39 12.714 13.961 -0.451 1.00 0.00 H new ATOM 626 N TYR A 40 9.563 7.690 1.843 1.00 0.00 N ATOM 627 CA TYR A 40 8.127 8.055 1.692 1.00 0.00 C ATOM 628 C TYR A 40 7.473 8.139 3.073 1.00 0.00 C ATOM 629 O TYR A 40 7.109 7.138 3.657 1.00 0.00 O ATOM 630 CB TYR A 40 7.419 6.988 0.860 1.00 0.00 C ATOM 631 CG TYR A 40 7.257 7.482 -0.556 1.00 0.00 C ATOM 632 CD1 TYR A 40 6.358 8.517 -0.833 1.00 0.00 C ATOM 633 CD2 TYR A 40 8.003 6.904 -1.590 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.203 8.976 -2.147 1.00 0.00 C ATOM 635 CE2 TYR A 40 7.846 7.364 -2.905 1.00 0.00 C ATOM 636 CZ TYR A 40 6.946 8.402 -3.181 1.00 0.00 C ATOM 637 OH TYR A 40 6.792 8.863 -4.473 1.00 0.00 O ATOM 0 H TYR A 40 9.855 6.852 1.341 1.00 0.00 H new ATOM 0 HA TYR A 40 8.047 9.021 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.994 6.062 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.444 6.762 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.784 8.962 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.698 6.106 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.508 9.775 -2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.419 6.918 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 40 7.381 8.359 -5.072 1.00 0.00 H new ATOM 647 N ARG A 41 7.318 9.323 3.604 1.00 0.00 N ATOM 648 CA ARG A 41 6.685 9.453 4.946 1.00 0.00 C ATOM 649 C ARG A 41 6.073 10.849 5.100 1.00 0.00 C ATOM 650 O ARG A 41 4.896 11.046 4.871 1.00 0.00 O ATOM 651 CB ARG A 41 7.744 9.235 6.029 1.00 0.00 C ATOM 652 CG ARG A 41 7.109 9.420 7.408 1.00 0.00 C ATOM 653 CD ARG A 41 7.957 8.708 8.462 1.00 0.00 C ATOM 654 NE ARG A 41 8.347 7.360 7.959 1.00 0.00 N ATOM 655 CZ ARG A 41 9.592 6.975 8.024 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.522 7.675 7.435 1.00 0.00 N ATOM 657 NH2 ARG A 41 9.907 5.890 8.678 1.00 0.00 N ATOM 0 H ARG A 41 7.601 10.201 3.168 1.00 0.00 H new ATOM 0 HA ARG A 41 5.898 8.706 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.167 8.234 5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.565 9.940 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.032 10.481 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.096 9.019 7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.847 9.296 8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.396 8.613 9.392 1.00 0.00 H new ATOM 0 HE ARG A 41 7.641 6.739 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.276 8.523 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.495 7.375 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.180 5.343 9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.880 5.589 8.729 1.00 0.00 H new ATOM 671 N THR A 42 6.857 11.816 5.489 1.00 0.00 N ATOM 672 CA THR A 42 6.313 13.194 5.661 1.00 0.00 C ATOM 673 C THR A 42 5.930 13.771 4.297 1.00 0.00 C ATOM 674 O THR A 42 5.034 14.584 4.188 1.00 0.00 O ATOM 675 CB THR A 42 7.374 14.084 6.313 1.00 0.00 C ATOM 676 OG1 THR A 42 6.779 15.311 6.714 1.00 0.00 O ATOM 677 CG2 THR A 42 8.496 14.363 5.313 1.00 0.00 C ATOM 0 H THR A 42 7.851 11.713 5.695 1.00 0.00 H new ATOM 0 HA THR A 42 5.429 13.156 6.297 1.00 0.00 H new ATOM 0 HB THR A 42 7.787 13.577 7.185 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.457 15.882 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.250 14.997 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.952 13.422 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.087 14.870 4.439 1.00 0.00 H new ATOM 685 N ALA A 43 6.600 13.359 3.257 1.00 0.00 N ATOM 686 CA ALA A 43 6.271 13.889 1.902 1.00 0.00 C ATOM 687 C ALA A 43 5.249 12.969 1.226 1.00 0.00 C ATOM 688 O ALA A 43 5.421 11.767 1.182 1.00 0.00 O ATOM 689 CB ALA A 43 7.543 13.943 1.055 1.00 0.00 C ATOM 0 H ALA A 43 7.360 12.679 3.285 1.00 0.00 H new ATOM 0 HA ALA A 43 5.852 14.891 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.304 14.330 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.272 14.597 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.961 12.941 0.962 1.00 0.00 H new ATOM 695 N ASP A 44 4.188 13.517 0.692 1.00 0.00 N ATOM 696 CA ASP A 44 3.170 12.660 0.019 1.00 0.00 C ATOM 697 C ASP A 44 2.114 13.538 -0.653 1.00 0.00 C ATOM 698 O ASP A 44 0.976 13.145 -0.809 1.00 0.00 O ATOM 699 CB ASP A 44 2.495 11.756 1.053 1.00 0.00 C ATOM 700 CG ASP A 44 1.961 12.607 2.206 1.00 0.00 C ATOM 701 OD1 ASP A 44 2.419 13.728 2.350 1.00 0.00 O ATOM 702 OD2 ASP A 44 1.102 12.123 2.924 1.00 0.00 O ATOM 0 H ASP A 44 3.984 14.516 0.693 1.00 0.00 H new ATOM 0 HA ASP A 44 3.663 12.047 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.680 11.201 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.207 11.021 1.429 1.00 0.00 H new ATOM 707 N LYS A 45 2.479 14.724 -1.053 1.00 0.00 N ATOM 708 CA LYS A 45 1.490 15.616 -1.715 1.00 0.00 C ATOM 709 C LYS A 45 1.523 15.383 -3.227 1.00 0.00 C ATOM 710 O LYS A 45 1.479 16.312 -4.008 1.00 0.00 O ATOM 711 CB LYS A 45 1.837 17.076 -1.415 1.00 0.00 C ATOM 712 CG LYS A 45 0.557 17.852 -1.100 1.00 0.00 C ATOM 713 CD LYS A 45 0.107 17.542 0.329 1.00 0.00 C ATOM 714 CE LYS A 45 -1.111 18.400 0.679 1.00 0.00 C ATOM 715 NZ LYS A 45 -2.086 17.584 1.458 1.00 0.00 N ATOM 0 H LYS A 45 3.417 15.112 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 45 0.492 15.395 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.525 17.131 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.345 17.523 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.731 18.922 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.228 17.581 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.141 16.485 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.919 17.742 1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.802 19.269 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.579 18.775 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.914 18.166 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.389 16.768 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.636 17.248 2.333 1.00 0.00 H new ATOM 729 N GLY A 46 1.601 14.149 -3.648 1.00 0.00 N ATOM 730 CA GLY A 46 1.639 13.868 -5.112 1.00 0.00 C ATOM 731 C GLY A 46 1.215 12.421 -5.381 1.00 0.00 C ATOM 732 O GLY A 46 0.199 12.168 -5.998 1.00 0.00 O ATOM 0 H GLY A 46 1.640 13.327 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.976 14.554 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.644 14.038 -5.497 1.00 0.00 H new ATOM 736 N TRP A 47 1.992 11.467 -4.937 1.00 0.00 N ATOM 737 CA TRP A 47 1.638 10.038 -5.185 1.00 0.00 C ATOM 738 C TRP A 47 0.390 9.640 -4.390 1.00 0.00 C ATOM 739 O TRP A 47 -0.080 8.524 -4.490 1.00 0.00 O ATOM 740 CB TRP A 47 2.807 9.136 -4.788 1.00 0.00 C ATOM 741 CG TRP A 47 2.934 9.076 -3.301 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.228 10.127 -2.499 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.794 7.919 -2.421 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.289 9.689 -1.192 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.029 8.340 -1.090 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.493 6.560 -2.643 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.972 7.450 -0.020 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.435 5.663 -1.564 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.676 6.109 -0.255 1.00 0.00 C ATOM 0 H TRP A 47 2.855 11.616 -4.414 1.00 0.00 H new ATOM 0 HA TRP A 47 1.427 9.917 -6.248 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.654 8.133 -5.187 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.732 9.515 -5.224 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.389 11.143 -2.829 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.501 10.292 -0.397 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.306 6.207 -3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.156 7.797 0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.203 4.623 -1.742 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.632 5.413 0.570 1.00 0.00 H new ATOM 760 N GLN A 48 -0.155 10.528 -3.607 1.00 0.00 N ATOM 761 CA GLN A 48 -1.374 10.170 -2.827 1.00 0.00 C ATOM 762 C GLN A 48 -2.536 9.937 -3.796 1.00 0.00 C ATOM 763 O GLN A 48 -3.063 8.846 -3.899 1.00 0.00 O ATOM 764 CB GLN A 48 -1.728 11.308 -1.869 1.00 0.00 C ATOM 765 CG GLN A 48 -2.274 10.724 -0.566 1.00 0.00 C ATOM 766 CD GLN A 48 -1.157 10.001 0.196 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.391 9.451 1.253 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.058 9.977 -0.292 1.00 0.00 N ATOM 0 H GLN A 48 0.187 11.480 -3.473 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.186 9.264 -2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.846 11.915 -1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.469 11.964 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.690 11.520 0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.086 10.030 -0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.260 10.437 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.802 9.498 0.215 1.00 0.00 H new ATOM 777 N ASN A 49 -2.934 10.952 -4.517 1.00 0.00 N ATOM 778 CA ASN A 49 -4.053 10.783 -5.488 1.00 0.00 C ATOM 779 C ASN A 49 -3.560 9.953 -6.670 1.00 0.00 C ATOM 780 O ASN A 49 -4.333 9.334 -7.374 1.00 0.00 O ATOM 781 CB ASN A 49 -4.512 12.156 -5.982 1.00 0.00 C ATOM 782 CG ASN A 49 -6.028 12.145 -6.194 1.00 0.00 C ATOM 783 OD1 ASN A 49 -6.592 11.141 -6.583 1.00 0.00 O ATOM 784 ND2 ASN A 49 -6.716 13.228 -5.955 1.00 0.00 N ATOM 0 H ASN A 49 -2.533 11.889 -4.475 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.890 10.278 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.242 12.924 -5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.006 12.406 -6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.726 13.232 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.243 14.071 -5.629 1.00 0.00 H new ATOM 791 N SER A 50 -2.275 9.931 -6.887 1.00 0.00 N ATOM 792 CA SER A 50 -1.727 9.137 -8.017 1.00 0.00 C ATOM 793 C SER A 50 -1.999 7.655 -7.759 1.00 0.00 C ATOM 794 O SER A 50 -2.378 6.925 -8.648 1.00 0.00 O ATOM 795 CB SER A 50 -0.220 9.368 -8.120 1.00 0.00 C ATOM 796 OG SER A 50 0.067 10.731 -7.836 1.00 0.00 O ATOM 0 H SER A 50 -1.581 10.429 -6.329 1.00 0.00 H new ATOM 0 HA SER A 50 -2.202 9.444 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.307 8.720 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.131 9.111 -9.119 1.00 0.00 H new ATOM 0 HG SER A 50 0.026 10.879 -6.868 1.00 0.00 H new ATOM 802 N ILE A 51 -1.811 7.211 -6.546 1.00 0.00 N ATOM 803 CA ILE A 51 -2.060 5.776 -6.222 1.00 0.00 C ATOM 804 C ILE A 51 -3.533 5.447 -6.495 1.00 0.00 C ATOM 805 O ILE A 51 -3.848 4.533 -7.228 1.00 0.00 O ATOM 806 CB ILE A 51 -1.702 5.530 -4.735 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.268 4.987 -4.620 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.657 4.508 -4.098 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.630 5.582 -5.707 1.00 0.00 C ATOM 0 H ILE A 51 -1.495 7.782 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.441 5.129 -6.843 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.791 6.483 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.138 5.225 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.278 3.900 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.382 4.355 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.679 4.882 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.587 3.562 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.639 5.182 -5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.235 5.321 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.657 6.667 -5.603 1.00 0.00 H new ATOM 821 N ARG A 52 -4.433 6.183 -5.906 1.00 0.00 N ATOM 822 CA ARG A 52 -5.882 5.912 -6.122 1.00 0.00 C ATOM 823 C ARG A 52 -6.165 5.784 -7.618 1.00 0.00 C ATOM 824 O ARG A 52 -6.546 4.739 -8.106 1.00 0.00 O ATOM 825 CB ARG A 52 -6.700 7.080 -5.561 1.00 0.00 C ATOM 826 CG ARG A 52 -8.166 6.930 -5.977 1.00 0.00 C ATOM 827 CD ARG A 52 -8.643 8.225 -6.639 1.00 0.00 C ATOM 828 NE ARG A 52 -9.157 9.153 -5.592 1.00 0.00 N ATOM 829 CZ ARG A 52 -9.823 10.225 -5.932 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.136 10.433 -7.182 1.00 0.00 N ATOM 831 NH2 ARG A 52 -10.178 11.087 -5.020 1.00 0.00 N ATOM 0 H ARG A 52 -4.227 6.963 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.155 4.985 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.621 7.103 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.302 8.025 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.275 6.094 -6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.781 6.706 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.823 8.692 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.426 8.009 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.988 8.951 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.861 9.758 -7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.656 11.270 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.936 10.924 -4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.698 11.924 -5.284 1.00 0.00 H new ATOM 845 N HIS A 53 -5.992 6.850 -8.342 1.00 0.00 N ATOM 846 CA HIS A 53 -6.258 6.826 -9.806 1.00 0.00 C ATOM 847 C HIS A 53 -5.391 5.768 -10.494 1.00 0.00 C ATOM 848 O HIS A 53 -5.721 5.275 -11.554 1.00 0.00 O ATOM 849 CB HIS A 53 -5.926 8.203 -10.380 1.00 0.00 C ATOM 850 CG HIS A 53 -7.035 8.652 -11.289 1.00 0.00 C ATOM 851 ND1 HIS A 53 -8.318 8.893 -10.824 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.070 8.908 -12.636 1.00 0.00 C ATOM 853 CE1 HIS A 53 -9.064 9.278 -11.876 1.00 0.00 C ATOM 854 NE2 HIS A 53 -8.351 9.304 -13.006 1.00 0.00 N ATOM 0 H HIS A 53 -5.674 7.748 -7.979 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.306 6.580 -9.979 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.791 8.922 -9.572 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.986 8.162 -10.930 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.230 8.816 -13.308 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.111 9.535 -11.814 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.676 9.559 -13.939 1.00 0.00 H new ATOM 862 N ASN A 54 -4.278 5.426 -9.910 1.00 0.00 N ATOM 863 CA ASN A 54 -3.383 4.413 -10.543 1.00 0.00 C ATOM 864 C ASN A 54 -4.005 3.021 -10.448 1.00 0.00 C ATOM 865 O ASN A 54 -4.477 2.473 -11.423 1.00 0.00 O ATOM 866 CB ASN A 54 -2.025 4.419 -9.842 1.00 0.00 C ATOM 867 CG ASN A 54 -1.064 5.311 -10.633 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.936 5.167 -11.833 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.377 6.229 -10.011 1.00 0.00 N ATOM 0 H ASN A 54 -3.947 5.803 -9.022 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.251 4.667 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.129 4.788 -8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.630 3.405 -9.776 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.267 6.825 -10.532 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.483 6.351 -9.004 1.00 0.00 H new ATOM 876 N LEU A 55 -4.000 2.438 -9.282 1.00 0.00 N ATOM 877 CA LEU A 55 -4.578 1.071 -9.129 1.00 0.00 C ATOM 878 C LEU A 55 -6.057 1.057 -9.535 1.00 0.00 C ATOM 879 O LEU A 55 -6.663 0.007 -9.633 1.00 0.00 O ATOM 880 CB LEU A 55 -4.438 0.596 -7.679 1.00 0.00 C ATOM 881 CG LEU A 55 -4.753 1.741 -6.715 1.00 0.00 C ATOM 882 CD1 LEU A 55 -6.110 1.499 -6.065 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.667 1.803 -5.638 1.00 0.00 C ATOM 0 H LEU A 55 -3.621 2.847 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.028 0.395 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.113 -0.240 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.426 0.232 -7.504 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.780 2.685 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.335 2.315 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.879 1.451 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.088 0.558 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.886 2.617 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.642 0.860 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.698 1.975 -6.107 1.00 0.00 H new ATOM 895 N SER A 56 -6.649 2.193 -9.792 1.00 0.00 N ATOM 896 CA SER A 56 -8.076 2.198 -10.207 1.00 0.00 C ATOM 897 C SER A 56 -8.134 1.944 -11.711 1.00 0.00 C ATOM 898 O SER A 56 -8.789 1.033 -12.177 1.00 0.00 O ATOM 899 CB SER A 56 -8.699 3.557 -9.888 1.00 0.00 C ATOM 900 OG SER A 56 -9.004 3.619 -8.501 1.00 0.00 O ATOM 0 H SER A 56 -6.207 3.110 -9.732 1.00 0.00 H new ATOM 0 HA SER A 56 -8.629 1.425 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.010 4.358 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.604 3.703 -10.478 1.00 0.00 H new ATOM 0 HG SER A 56 -8.248 4.012 -8.017 1.00 0.00 H new ATOM 906 N LEU A 57 -7.434 2.739 -12.468 1.00 0.00 N ATOM 907 CA LEU A 57 -7.419 2.553 -13.940 1.00 0.00 C ATOM 908 C LEU A 57 -6.260 1.625 -14.318 1.00 0.00 C ATOM 909 O LEU A 57 -5.902 1.500 -15.472 1.00 0.00 O ATOM 910 CB LEU A 57 -7.224 3.912 -14.609 1.00 0.00 C ATOM 911 CG LEU A 57 -5.880 4.503 -14.181 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.836 4.227 -15.264 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.026 6.015 -13.990 1.00 0.00 C ATOM 0 H LEU A 57 -6.868 3.515 -12.126 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.360 2.112 -14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.257 3.804 -15.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.035 4.586 -14.331 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.563 4.046 -13.243 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.877 4.648 -14.961 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.732 3.151 -15.404 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.153 4.686 -16.201 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.069 6.437 -13.685 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.341 6.471 -14.928 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.772 6.214 -13.221 1.00 0.00 H new ATOM 925 N ASN A 58 -5.662 0.982 -13.349 1.00 0.00 N ATOM 926 CA ASN A 58 -4.513 0.072 -13.654 1.00 0.00 C ATOM 927 C ASN A 58 -4.994 -1.123 -14.478 1.00 0.00 C ATOM 928 O ASN A 58 -6.172 -1.285 -14.730 1.00 0.00 O ATOM 929 CB ASN A 58 -3.866 -0.434 -12.356 1.00 0.00 C ATOM 930 CG ASN A 58 -2.522 0.269 -12.157 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.585 -0.314 -11.650 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.385 1.507 -12.543 1.00 0.00 N ATOM 0 H ASN A 58 -5.917 1.046 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.774 0.635 -14.224 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.522 -0.237 -11.508 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.722 -1.513 -12.404 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.492 1.984 -12.419 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.171 1.998 -12.969 1.00 0.00 H new ATOM 939 N ARG A 59 -4.084 -1.955 -14.911 1.00 0.00 N ATOM 940 CA ARG A 59 -4.476 -3.135 -15.734 1.00 0.00 C ATOM 941 C ARG A 59 -4.749 -4.350 -14.838 1.00 0.00 C ATOM 942 O ARG A 59 -5.547 -5.202 -15.172 1.00 0.00 O ATOM 943 CB ARG A 59 -3.348 -3.466 -16.717 1.00 0.00 C ATOM 944 CG ARG A 59 -2.125 -3.966 -15.947 1.00 0.00 C ATOM 945 CD ARG A 59 -0.886 -3.184 -16.391 1.00 0.00 C ATOM 946 NE ARG A 59 -0.331 -3.793 -17.634 1.00 0.00 N ATOM 947 CZ ARG A 59 -0.544 -3.227 -18.790 1.00 0.00 C ATOM 948 NH1 ARG A 59 -0.109 -2.018 -19.014 1.00 0.00 N ATOM 949 NH2 ARG A 59 -1.192 -3.871 -19.723 1.00 0.00 N ATOM 0 H ARG A 59 -3.084 -1.867 -14.729 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.387 -2.895 -16.283 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.680 -4.226 -17.424 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.087 -2.581 -17.298 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.281 -3.842 -14.875 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.979 -5.031 -16.127 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.146 -2.141 -16.570 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.134 -3.194 -15.602 1.00 0.00 H new ATOM 0 HE ARG A 59 0.215 -4.653 -17.580 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.398 -1.515 -18.285 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.275 -1.575 -19.918 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.532 -4.817 -19.548 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.358 -3.428 -20.627 1.00 0.00 H new ATOM 963 N TYR A 60 -4.101 -4.449 -13.705 1.00 0.00 N ATOM 964 CA TYR A 60 -4.354 -5.630 -12.823 1.00 0.00 C ATOM 965 C TYR A 60 -5.119 -5.213 -11.570 1.00 0.00 C ATOM 966 O TYR A 60 -5.730 -6.030 -10.918 1.00 0.00 O ATOM 967 CB TYR A 60 -3.043 -6.302 -12.392 1.00 0.00 C ATOM 968 CG TYR A 60 -1.888 -5.327 -12.409 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.968 -4.098 -11.738 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.721 -5.668 -13.100 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.878 -3.219 -11.768 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.365 -4.792 -13.126 1.00 0.00 C ATOM 973 CZ TYR A 60 0.288 -3.565 -12.463 1.00 0.00 C ATOM 974 OH TYR A 60 1.361 -2.698 -12.488 1.00 0.00 O ATOM 0 H TYR A 60 -3.419 -3.776 -13.356 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.945 -6.338 -13.403 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.157 -6.715 -11.390 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.825 -7.137 -13.058 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.866 -3.831 -11.201 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.660 -6.615 -13.616 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.937 -2.271 -11.254 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.265 -5.063 -13.659 1.00 0.00 H new ATOM 0 HH TYR A 60 2.088 -3.093 -13.013 1.00 0.00 H new ATOM 984 N PHE A 61 -5.095 -3.967 -11.209 1.00 0.00 N ATOM 985 CA PHE A 61 -5.827 -3.565 -9.979 1.00 0.00 C ATOM 986 C PHE A 61 -7.321 -3.459 -10.285 1.00 0.00 C ATOM 987 O PHE A 61 -7.725 -3.079 -11.366 1.00 0.00 O ATOM 988 CB PHE A 61 -5.266 -2.239 -9.467 1.00 0.00 C ATOM 989 CG PHE A 61 -3.861 -2.491 -8.979 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.630 -3.470 -8.007 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.789 -1.765 -9.505 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.332 -3.720 -7.562 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.491 -2.016 -9.058 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.263 -2.996 -8.088 1.00 0.00 C ATOM 0 H PHE A 61 -4.609 -3.217 -11.702 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.694 -4.315 -9.200 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.267 -1.492 -10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.886 -1.848 -8.661 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.457 -4.033 -7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.965 -1.010 -10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.155 -4.475 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.663 -1.453 -9.462 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.258 -3.193 -7.746 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.139 -3.833 -9.341 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.614 -3.805 -9.559 1.00 0.00 C ATOM 1006 C ILE A 62 -10.313 -3.266 -8.307 1.00 0.00 C ATOM 1007 O ILE A 62 -9.736 -3.216 -7.242 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.101 -5.238 -9.864 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.281 -6.052 -8.570 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.070 -5.962 -10.736 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.598 -6.829 -8.643 1.00 0.00 C ATOM 0 H ILE A 62 -7.847 -4.160 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.852 -3.152 -10.399 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.058 -5.158 -10.379 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.446 -6.740 -8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.284 -5.388 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.419 -6.973 -10.948 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.940 -5.419 -11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.117 -6.010 -10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.730 -7.407 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.427 -6.130 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.576 -7.504 -9.499 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.556 -2.882 -8.418 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.285 -2.367 -7.222 1.00 0.00 C ATOM 1025 C LYS A 63 -13.430 -3.325 -6.881 1.00 0.00 C ATOM 1026 O LYS A 63 -14.098 -3.842 -7.755 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.848 -0.976 -7.520 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.414 -0.007 -6.418 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.516 1.028 -6.181 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.562 1.393 -4.695 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.078 2.790 -4.512 1.00 0.00 N ATOM 0 H LYS A 63 -12.097 -2.902 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.600 -2.300 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.491 -0.627 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.936 -1.016 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.211 -0.554 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.488 0.492 -6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.328 1.919 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.479 0.629 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.580 1.297 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.943 0.704 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.109 3.039 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.100 2.867 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.687 3.441 -5.048 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.662 -3.574 -5.619 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.763 -4.506 -5.237 1.00 0.00 C ATOM 1047 C VAL A 64 -15.786 -3.776 -4.360 1.00 0.00 C ATOM 1048 O VAL A 64 -15.768 -3.906 -3.153 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.186 -5.686 -4.459 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.431 -6.609 -5.415 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -13.227 -5.164 -3.391 1.00 0.00 C ATOM 0 H VAL A 64 -13.139 -3.174 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.254 -4.865 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.995 -6.242 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.019 -7.451 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.114 -6.978 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.620 -6.057 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.812 -6.003 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.418 -4.610 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.765 -4.505 -2.709 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.521 -0.254 -1.108 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.582 -1.397 -0.932 1.00 0.00 C ATOM 1220 C PHE A 76 -11.304 -2.039 -2.292 1.00 0.00 C ATOM 1221 O PHE A 76 -12.119 -2.766 -2.825 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.202 -2.432 0.009 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.249 -2.697 1.151 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.890 -2.917 0.892 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.722 -2.720 2.468 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -9.006 -3.161 1.950 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.838 -2.963 3.525 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.480 -3.184 3.267 1.00 0.00 C ATOM 0 HA PHE A 76 -10.647 -1.037 -0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.156 -2.068 0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.407 -3.356 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.524 -2.898 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.770 -2.550 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.958 -3.331 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -11.204 -2.980 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.798 -3.372 4.083 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.163 -1.765 -2.864 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.839 -2.350 -4.195 1.00 0.00 C ATOM 1240 C TRP A 77 -8.796 -3.465 -4.041 1.00 0.00 C ATOM 1241 O TRP A 77 -7.951 -3.419 -3.172 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.281 -1.245 -5.092 1.00 0.00 C ATOM 1243 CG TRP A 77 -7.967 -0.788 -4.552 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.773 0.332 -3.820 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.663 -1.419 -4.691 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.431 0.430 -3.501 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.705 -0.624 -4.018 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.222 -2.589 -5.333 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.358 -0.979 -3.982 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -4.866 -2.949 -5.298 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -3.938 -2.146 -4.625 1.00 0.00 C ATOM 0 H TRP A 77 -9.442 -1.162 -2.467 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.740 -2.774 -4.639 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.160 -1.614 -6.111 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -9.979 -0.409 -5.136 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.540 1.035 -3.532 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.027 1.188 -2.951 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.930 -3.214 -5.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.645 -0.357 -3.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.537 -3.851 -5.793 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -2.896 -2.429 -4.603 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.848 -4.465 -4.887 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.854 -5.578 -4.796 1.00 0.00 C ATOM 1264 C ARG A 78 -7.273 -5.862 -6.172 1.00 0.00 C ATOM 1265 O ARG A 78 -7.914 -5.667 -7.180 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.531 -6.855 -4.305 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.945 -6.931 -4.872 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.610 -8.235 -4.428 1.00 0.00 C ATOM 1269 NE ARG A 78 -9.591 -9.317 -4.314 1.00 0.00 N ATOM 1270 CZ ARG A 78 -9.820 -10.484 -4.853 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.741 -11.262 -4.352 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -9.131 -10.872 -5.891 1.00 0.00 N ATOM 0 H ARG A 78 -9.535 -4.558 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.070 -5.277 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.956 -7.727 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.563 -6.866 -3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.531 -6.078 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.914 -6.880 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.107 -8.090 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.379 -8.523 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.717 -9.146 -3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.280 -10.958 -3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.922 -12.174 -4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.412 -10.263 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.311 -11.784 -6.311 1.00 0.00 H new ATOM 1286 N ILE A 79 -6.074 -6.360 -6.219 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.465 -6.687 -7.543 1.00 0.00 C ATOM 1288 C ILE A 79 -5.938 -8.082 -7.961 1.00 0.00 C ATOM 1289 O ILE A 79 -6.369 -8.868 -7.142 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.936 -6.643 -7.447 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.330 -6.961 -8.818 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.447 -7.663 -6.422 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.133 -6.048 -9.075 1.00 0.00 C ATOM 0 H ILE A 79 -5.488 -6.556 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.775 -5.955 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.626 -5.647 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.018 -8.005 -8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.079 -6.824 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.359 -7.624 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.874 -7.432 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.758 -8.662 -6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.704 -6.276 -10.051 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.458 -5.008 -9.056 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.381 -6.207 -8.302 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.886 -8.392 -9.227 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.359 -9.725 -9.680 1.00 0.00 C ATOM 1307 C ASP A 80 -5.560 -10.817 -8.967 1.00 0.00 C ATOM 1308 O ASP A 80 -4.388 -10.648 -8.695 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.170 -9.853 -11.191 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.369 -9.231 -11.910 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.484 -9.471 -11.475 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.153 -8.528 -12.883 1.00 0.00 O ATOM 0 H ASP A 80 -5.537 -7.780 -9.964 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.417 -9.834 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.250 -9.354 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.071 -10.902 -11.468 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.228 -11.901 -8.674 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.621 -13.044 -7.976 1.00 0.00 C ATOM 1319 C PRO A 81 -4.822 -13.914 -8.952 1.00 0.00 C ATOM 1320 O PRO A 81 -3.839 -14.529 -8.588 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.829 -13.807 -7.425 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.043 -13.397 -8.297 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.655 -12.087 -9.012 1.00 0.00 C ATOM 0 HA PRO A 81 -4.918 -12.745 -7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.663 -14.883 -7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.001 -13.557 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.280 -14.177 -9.021 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.931 -13.253 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.803 -12.162 -10.089 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.259 -11.249 -8.665 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.239 -13.977 -10.188 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.501 -14.816 -11.175 1.00 0.00 C ATOM 1333 C ALA A 82 -3.367 -14.009 -11.804 1.00 0.00 C ATOM 1334 O ALA A 82 -2.492 -14.554 -12.448 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.463 -15.286 -12.269 1.00 0.00 C ATOM 0 H ALA A 82 -6.054 -13.487 -10.555 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.081 -15.681 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.922 -15.899 -12.990 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.264 -15.874 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.888 -14.420 -12.776 1.00 0.00 H new ATOM 1341 N SER A 83 -3.358 -12.719 -11.616 1.00 0.00 N ATOM 1342 CA SER A 83 -2.260 -11.907 -12.197 1.00 0.00 C ATOM 1343 C SER A 83 -1.362 -11.430 -11.065 1.00 0.00 C ATOM 1344 O SER A 83 -0.286 -10.939 -11.288 1.00 0.00 O ATOM 1345 CB SER A 83 -2.830 -10.694 -12.940 1.00 0.00 C ATOM 1346 OG SER A 83 -2.650 -10.876 -14.337 1.00 0.00 O ATOM 0 H SER A 83 -4.059 -12.198 -11.089 1.00 0.00 H new ATOM 0 HA SER A 83 -1.693 -12.513 -12.904 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.889 -10.576 -12.710 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.329 -9.783 -12.612 1.00 0.00 H new ATOM 0 HG SER A 83 -3.015 -10.103 -14.817 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.797 -11.571 -9.846 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.958 -11.110 -8.711 1.00 0.00 C ATOM 1354 C GLU A 84 0.383 -11.836 -8.729 1.00 0.00 C ATOM 1355 O GLU A 84 1.319 -11.432 -8.071 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.678 -11.390 -7.391 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.916 -10.726 -6.242 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.668 -11.749 -5.133 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -1.470 -12.659 -5.001 1.00 0.00 O ATOM 1360 OE2 GLU A 84 0.323 -11.607 -4.434 1.00 0.00 O ATOM 0 H GLU A 84 -2.693 -11.984 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.785 -10.038 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.698 -11.008 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.746 -12.465 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.033 -10.329 -6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.487 -9.883 -5.852 1.00 0.00 H new ATOM 1367 N ALA A 85 0.499 -12.892 -9.483 1.00 0.00 N ATOM 1368 CA ALA A 85 1.801 -13.612 -9.534 1.00 0.00 C ATOM 1369 C ALA A 85 2.666 -13.003 -10.644 1.00 0.00 C ATOM 1370 O ALA A 85 3.880 -13.041 -10.589 1.00 0.00 O ATOM 1371 CB ALA A 85 1.562 -15.097 -9.821 1.00 0.00 C ATOM 0 H ALA A 85 -0.244 -13.285 -10.061 1.00 0.00 H new ATOM 0 HA ALA A 85 2.311 -13.515 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.518 -15.619 -9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.944 -15.525 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.053 -15.205 -10.779 1.00 0.00 H new ATOM 1377 N LYS A 86 2.051 -12.442 -11.652 1.00 0.00 N ATOM 1378 CA LYS A 86 2.836 -11.835 -12.763 1.00 0.00 C ATOM 1379 C LYS A 86 3.187 -10.375 -12.435 1.00 0.00 C ATOM 1380 O LYS A 86 4.267 -9.911 -12.744 1.00 0.00 O ATOM 1381 CB LYS A 86 2.023 -11.910 -14.060 1.00 0.00 C ATOM 1382 CG LYS A 86 0.993 -10.777 -14.116 1.00 0.00 C ATOM 1383 CD LYS A 86 1.620 -9.549 -14.779 1.00 0.00 C ATOM 1384 CE LYS A 86 0.580 -8.861 -15.665 1.00 0.00 C ATOM 1385 NZ LYS A 86 1.261 -7.895 -16.573 1.00 0.00 N ATOM 0 H LYS A 86 1.038 -12.379 -11.752 1.00 0.00 H new ATOM 0 HA LYS A 86 3.766 -12.389 -12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.691 -11.844 -14.919 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.516 -12.873 -14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.115 -11.097 -14.676 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.656 -10.528 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.981 -8.856 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.483 -9.845 -15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.036 -9.603 -16.249 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.153 -8.341 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.554 -7.427 -17.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.761 -7.180 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.944 -8.403 -17.171 1.00 0.00 H new ATOM 1399 N LEU A 87 2.299 -9.646 -11.805 1.00 0.00 N ATOM 1400 CA LEU A 87 2.622 -8.226 -11.466 1.00 0.00 C ATOM 1401 C LEU A 87 3.706 -8.213 -10.408 1.00 0.00 C ATOM 1402 O LEU A 87 4.751 -7.616 -10.565 1.00 0.00 O ATOM 1403 CB LEU A 87 1.398 -7.474 -10.913 1.00 0.00 C ATOM 1404 CG LEU A 87 0.400 -8.421 -10.231 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.060 -7.893 -8.836 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -0.885 -8.483 -11.061 1.00 0.00 C ATOM 0 H LEU A 87 1.376 -9.968 -11.514 1.00 0.00 H new ATOM 0 HA LEU A 87 2.947 -7.728 -12.380 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.728 -6.720 -10.199 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.899 -6.946 -11.726 1.00 0.00 H new ATOM 0 HG LEU A 87 0.843 -9.413 -10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.648 -8.567 -8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.969 -7.834 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.383 -6.901 -8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.597 -9.154 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.319 -7.486 -11.134 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.655 -8.853 -12.060 1.00 0.00 H new ATOM 1418 N VAL A 88 3.449 -8.871 -9.331 1.00 0.00 N ATOM 1419 CA VAL A 88 4.433 -8.930 -8.231 1.00 0.00 C ATOM 1420 C VAL A 88 5.831 -9.197 -8.779 1.00 0.00 C ATOM 1421 O VAL A 88 6.819 -8.818 -8.188 1.00 0.00 O ATOM 1422 CB VAL A 88 4.059 -10.077 -7.332 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.772 -9.752 -6.575 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.858 -11.327 -8.192 1.00 0.00 C ATOM 0 H VAL A 88 2.583 -9.382 -9.160 1.00 0.00 H new ATOM 0 HA VAL A 88 4.431 -7.981 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 88 4.853 -10.250 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.510 -10.588 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.922 -8.858 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.965 -9.578 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.586 -12.168 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.062 -11.147 -8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.783 -11.557 -8.721 1.00 0.00 H new ATOM 1434 N GLU A 89 5.928 -9.867 -9.890 1.00 0.00 N ATOM 1435 CA GLU A 89 7.275 -10.172 -10.446 1.00 0.00 C ATOM 1436 C GLU A 89 8.056 -8.867 -10.570 1.00 0.00 C ATOM 1437 O GLU A 89 9.171 -8.753 -10.104 1.00 0.00 O ATOM 1438 CB GLU A 89 7.131 -10.818 -11.826 1.00 0.00 C ATOM 1439 CG GLU A 89 7.549 -12.288 -11.748 1.00 0.00 C ATOM 1440 CD GLU A 89 8.641 -12.564 -12.783 1.00 0.00 C ATOM 1441 OE1 GLU A 89 8.453 -12.186 -13.929 1.00 0.00 O ATOM 1442 OE2 GLU A 89 9.645 -13.150 -12.415 1.00 0.00 O ATOM 0 H GLU A 89 5.139 -10.215 -10.435 1.00 0.00 H new ATOM 0 HA GLU A 89 7.802 -10.862 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.100 -10.740 -12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.750 -10.291 -12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.914 -12.521 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.689 -12.932 -11.931 1.00 0.00 H new ATOM 1449 N GLN A 90 7.468 -7.873 -11.170 1.00 0.00 N ATOM 1450 CA GLN A 90 8.168 -6.570 -11.294 1.00 0.00 C ATOM 1451 C GLN A 90 8.059 -5.829 -9.961 1.00 0.00 C ATOM 1452 O GLN A 90 8.758 -4.868 -9.714 1.00 0.00 O ATOM 1453 CB GLN A 90 7.510 -5.739 -12.397 1.00 0.00 C ATOM 1454 CG GLN A 90 8.520 -5.486 -13.515 1.00 0.00 C ATOM 1455 CD GLN A 90 7.808 -5.542 -14.868 1.00 0.00 C ATOM 1456 OE1 GLN A 90 7.940 -6.504 -15.598 1.00 0.00 O ATOM 1457 NE2 GLN A 90 7.051 -4.544 -15.234 1.00 0.00 N ATOM 0 H GLN A 90 6.534 -7.907 -11.579 1.00 0.00 H new ATOM 0 HA GLN A 90 9.216 -6.732 -11.546 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.639 -6.263 -12.791 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.156 -4.791 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.991 -4.513 -13.380 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.314 -6.232 -13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.940 -3.736 -14.621 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.570 -4.572 -16.133 1.00 0.00 H new ATOM 1466 N ALA A 91 7.182 -6.271 -9.099 1.00 0.00 N ATOM 1467 CA ALA A 91 7.023 -5.592 -7.785 1.00 0.00 C ATOM 1468 C ALA A 91 8.260 -5.849 -6.915 1.00 0.00 C ATOM 1469 O ALA A 91 8.712 -4.982 -6.194 1.00 0.00 O ATOM 1470 CB ALA A 91 5.772 -6.116 -7.081 1.00 0.00 C ATOM 0 H ALA A 91 6.570 -7.073 -9.250 1.00 0.00 H new ATOM 0 HA ALA A 91 6.918 -4.519 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.659 -5.616 -6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.896 -5.916 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.867 -7.190 -6.923 1.00 0.00 H new ATOM 1476 N PHE A 92 8.808 -7.033 -6.975 1.00 0.00 N ATOM 1477 CA PHE A 92 10.013 -7.344 -6.153 1.00 0.00 C ATOM 1478 C PHE A 92 11.285 -7.037 -6.951 1.00 0.00 C ATOM 1479 O PHE A 92 12.023 -7.930 -7.318 1.00 0.00 O ATOM 1480 CB PHE A 92 10.002 -8.827 -5.775 1.00 0.00 C ATOM 1481 CG PHE A 92 8.679 -9.181 -5.138 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.198 -8.432 -4.058 1.00 0.00 C ATOM 1483 CD2 PHE A 92 7.937 -10.262 -5.626 1.00 0.00 C ATOM 1484 CE1 PHE A 92 6.973 -8.763 -3.467 1.00 0.00 C ATOM 1485 CE2 PHE A 92 6.712 -10.593 -5.035 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.231 -9.844 -3.955 1.00 0.00 C ATOM 0 H PHE A 92 8.473 -7.799 -7.559 1.00 0.00 H new ATOM 0 HA PHE A 92 9.997 -6.732 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.165 -9.439 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 92 10.818 -9.042 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.772 -7.599 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.309 -10.841 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.601 -8.184 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.138 -11.426 -5.412 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.287 -10.101 -3.498 1.00 0.00 H new ATOM 1496 N ARG A 93 11.557 -5.789 -7.218 1.00 0.00 N ATOM 1497 CA ARG A 93 12.791 -5.451 -7.984 1.00 0.00 C ATOM 1498 C ARG A 93 12.933 -3.933 -8.093 1.00 0.00 C ATOM 1499 O ARG A 93 11.970 -3.198 -7.996 1.00 0.00 O ATOM 1500 CB ARG A 93 12.713 -6.061 -9.387 1.00 0.00 C ATOM 1501 CG ARG A 93 11.571 -5.412 -10.171 1.00 0.00 C ATOM 1502 CD ARG A 93 11.717 -5.747 -11.657 1.00 0.00 C ATOM 1503 NE ARG A 93 12.674 -4.797 -12.291 1.00 0.00 N ATOM 1504 CZ ARG A 93 12.226 -3.758 -12.945 1.00 0.00 C ATOM 1505 NH1 ARG A 93 11.283 -3.018 -12.428 1.00 0.00 N ATOM 1506 NH2 ARG A 93 12.723 -3.460 -14.113 1.00 0.00 N ATOM 0 H ARG A 93 10.983 -4.993 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 93 13.657 -5.857 -7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.657 -5.912 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.553 -7.137 -9.317 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.611 -5.770 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.585 -4.332 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.072 -6.771 -11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.747 -5.686 -12.151 1.00 0.00 H new ATOM 0 HE ARG A 93 13.678 -4.958 -12.215 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.896 -3.251 -11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.933 -2.207 -12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.461 -4.038 -14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.374 -2.649 -14.624 1.00 0.00 H new ATOM 1520 N LYS A 94 14.133 -3.459 -8.288 1.00 0.00 N ATOM 1521 CA LYS A 94 14.349 -1.988 -8.398 1.00 0.00 C ATOM 1522 C LYS A 94 13.995 -1.521 -9.811 1.00 0.00 C ATOM 1523 O LYS A 94 13.921 -2.306 -10.735 1.00 0.00 O ATOM 1524 CB LYS A 94 15.819 -1.671 -8.114 1.00 0.00 C ATOM 1525 CG LYS A 94 15.915 -0.681 -6.952 1.00 0.00 C ATOM 1526 CD LYS A 94 17.091 0.268 -7.188 1.00 0.00 C ATOM 1527 CE LYS A 94 18.276 -0.158 -6.319 1.00 0.00 C ATOM 1528 NZ LYS A 94 18.648 -1.566 -6.639 1.00 0.00 N ATOM 0 H LYS A 94 14.975 -4.028 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 94 13.715 -1.473 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.358 -2.586 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.289 -1.251 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.988 -0.114 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.049 -1.218 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.376 0.256 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.800 1.291 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.125 0.502 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.017 -0.070 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.597 -1.768 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.959 -2.214 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.648 -1.699 -7.670 1.00 0.00 H new