USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 56 THR OG1 : rot -55:sc= -0.271 USER MOD Set 1.2: A 59 THR OG1 : rot 129:sc= 0.0199 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.505 USER MOD Set 2.2: A 46 TYR OH : rot 11:sc= 0.501 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -1.02! K(o=-8!,f=-16) USER MOD Set 3.2: A 25 ASN : amide:sc= -6.99! C(o=-8!,f=-16!) USER MOD Set 4.1: A 2 LYS NZ :NH3+ 149:sc= -0.416 (180deg=-1.48!) USER MOD Set 4.2: A 10 LYS NZ :NH3+ -129:sc= -0.593 (180deg=-2.05!) USER MOD Set 5.1: A 7 TYR OH : rot 0:sc= 0.0167 USER MOD Set 5.2: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 3 SER OG : rot 141:sc= 1.26 USER MOD Set 6.2: A 6 HIS : no HD1:sc= -0.792 K(o=0.47,f=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.47 (180deg=0.366) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.221) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -42:sc= 0.713 USER MOD Single : A 26 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.5) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.12) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -44:sc= 1.07 USER MOD Single : A 37 SER OG : rot -143:sc= 0.247 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.21 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-0.69) USER MOD Single : A 44 SER OG : rot -77:sc= 0.175 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.2!) USER MOD Single : A 53 TYR OH : rot 73:sc= 0.495 USER MOD Single : A 55 HIS : no HE2:sc= 0.578 K(o=0.58,f=-4.4!) USER MOD Single : A 57 MET CE :methyl 150:sc= -0.266 (180deg=-2.9!) USER MOD Single : A 66 GLN : amide:sc= -0.261 K(o=-0.26,f=-3.4!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.6) USER MOD Single : A 77 HIS : no HE2:sc= -0.237 K(o=-0.24,f=-0.93) USER MOD Single : A 78 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-6.7!) USER MOD Single : A 79 HIS : no HD1:sc= -0.745 K(o=-0.74,f=-2.3!) USER MOD Single : A 80 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-0.89) USER MOD Single : A 81 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.032) USER MOD Single : A 82 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.617 10.742 4.685 1.00 0.00 N ATOM 2 CA MET A 1 -5.476 9.299 4.339 1.00 0.00 C ATOM 3 C MET A 1 -6.703 8.846 3.552 1.00 0.00 C ATOM 4 O MET A 1 -7.687 9.581 3.440 1.00 0.00 O ATOM 5 CB MET A 1 -5.349 8.477 5.627 1.00 0.00 C ATOM 6 CG MET A 1 -3.986 8.735 6.274 1.00 0.00 C ATOM 7 SD MET A 1 -4.069 10.242 7.275 1.00 0.00 S ATOM 8 CE MET A 1 -3.466 9.527 8.825 1.00 0.00 C ATOM 0 H1 MET A 1 -5.241 10.908 5.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.087 11.317 4.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.622 11.009 4.657 1.00 0.00 H new ATOM 0 HA MET A 1 -4.584 9.151 3.730 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.147 8.744 6.320 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.461 7.416 5.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.701 7.887 6.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.220 8.838 5.505 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.437 10.298 9.595 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.134 8.725 9.140 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.464 9.126 8.675 1.00 0.00 H new ATOM 20 N LYS A 2 -6.637 7.632 3.008 1.00 0.00 N ATOM 21 CA LYS A 2 -7.749 7.090 2.230 1.00 0.00 C ATOM 22 C LYS A 2 -7.757 5.563 2.282 1.00 0.00 C ATOM 23 O LYS A 2 -8.720 4.936 1.840 1.00 0.00 O ATOM 24 CB LYS A 2 -7.645 7.551 0.772 1.00 0.00 C ATOM 25 CG LYS A 2 -6.371 6.980 0.133 1.00 0.00 C ATOM 26 CD LYS A 2 -5.692 8.054 -0.726 1.00 0.00 C ATOM 27 CE LYS A 2 -6.533 8.324 -1.979 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.301 7.243 -2.979 1.00 0.00 N ATOM 0 H LYS A 2 -5.833 7.010 3.090 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.678 7.460 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.521 7.221 0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.629 8.640 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.687 6.636 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.618 6.114 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.574 8.972 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.692 7.726 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.590 8.370 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.268 9.291 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.164 7.100 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.518 7.514 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.059 6.360 -2.486 1.00 0.00 H new ATOM 42 N SER A 3 -6.673 4.985 2.818 1.00 0.00 N ATOM 43 CA SER A 3 -6.521 3.528 2.939 1.00 0.00 C ATOM 44 C SER A 3 -5.615 2.993 1.834 1.00 0.00 C ATOM 45 O SER A 3 -5.841 3.255 0.652 1.00 0.00 O ATOM 46 CB SER A 3 -7.872 2.807 2.880 1.00 0.00 C ATOM 47 OG SER A 3 -7.698 1.459 3.294 1.00 0.00 O ATOM 0 H SER A 3 -5.878 5.513 3.179 1.00 0.00 H new ATOM 0 HA SER A 3 -6.071 3.332 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.594 3.308 3.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.272 2.840 1.867 1.00 0.00 H new ATOM 0 HG SER A 3 -8.462 1.184 3.843 1.00 0.00 H new ATOM 53 N PHE A 4 -4.591 2.241 2.230 1.00 0.00 N ATOM 54 CA PHE A 4 -3.653 1.666 1.269 1.00 0.00 C ATOM 55 C PHE A 4 -4.388 0.812 0.238 1.00 0.00 C ATOM 56 O PHE A 4 -4.116 0.900 -0.958 1.00 0.00 O ATOM 57 CB PHE A 4 -2.615 0.808 2.001 1.00 0.00 C ATOM 58 CG PHE A 4 -1.567 0.327 1.022 1.00 0.00 C ATOM 59 CD1 PHE A 4 -0.446 1.122 0.747 1.00 0.00 C ATOM 60 CD2 PHE A 4 -1.714 -0.915 0.390 1.00 0.00 C ATOM 61 CE1 PHE A 4 0.523 0.676 -0.159 1.00 0.00 C ATOM 62 CE2 PHE A 4 -0.744 -1.361 -0.515 1.00 0.00 C ATOM 63 CZ PHE A 4 0.375 -0.564 -0.790 1.00 0.00 C ATOM 0 H PHE A 4 -4.390 2.016 3.204 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.151 2.483 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.145 1.388 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.102 -0.044 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.330 2.079 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.577 -1.529 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.386 1.290 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.858 -2.319 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.123 -0.907 -1.489 1.00 0.00 H new ATOM 73 N TYR A 5 -5.316 -0.018 0.714 1.00 0.00 N ATOM 74 CA TYR A 5 -6.081 -0.893 -0.171 1.00 0.00 C ATOM 75 C TYR A 5 -6.860 -0.082 -1.204 1.00 0.00 C ATOM 76 O TYR A 5 -6.850 -0.408 -2.392 1.00 0.00 O ATOM 77 CB TYR A 5 -7.053 -1.751 0.648 1.00 0.00 C ATOM 78 CG TYR A 5 -7.600 -2.861 -0.219 1.00 0.00 C ATOM 79 CD1 TYR A 5 -8.735 -2.640 -1.012 1.00 0.00 C ATOM 80 CD2 TYR A 5 -6.971 -4.112 -0.233 1.00 0.00 C ATOM 81 CE1 TYR A 5 -9.240 -3.668 -1.815 1.00 0.00 C ATOM 82 CE2 TYR A 5 -7.476 -5.141 -1.037 1.00 0.00 C ATOM 83 CZ TYR A 5 -8.610 -4.920 -1.826 1.00 0.00 C ATOM 84 OH TYR A 5 -9.108 -5.934 -2.617 1.00 0.00 O ATOM 0 H TYR A 5 -5.555 -0.102 1.702 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.378 -1.540 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.542 -2.170 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.869 -1.135 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.220 -1.675 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.096 -4.283 0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.114 -3.497 -2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.990 -6.105 -1.048 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.554 -6.735 -2.509 1.00 0.00 H new ATOM 94 N HIS A 6 -7.532 0.972 -0.749 1.00 0.00 N ATOM 95 CA HIS A 6 -8.309 1.816 -1.652 1.00 0.00 C ATOM 96 C HIS A 6 -7.389 2.550 -2.612 1.00 0.00 C ATOM 97 O HIS A 6 -7.667 2.642 -3.806 1.00 0.00 O ATOM 98 CB HIS A 6 -9.121 2.830 -0.866 1.00 0.00 C ATOM 99 CG HIS A 6 -10.185 2.121 -0.072 1.00 0.00 C ATOM 100 ND1 HIS A 6 -11.536 2.335 -0.291 1.00 0.00 N ATOM 101 CD2 HIS A 6 -10.111 1.195 0.940 1.00 0.00 C ATOM 102 CE1 HIS A 6 -12.215 1.555 0.570 1.00 0.00 C ATOM 103 NE2 HIS A 6 -11.394 0.840 1.344 1.00 0.00 N ATOM 0 H HIS A 6 -7.555 1.260 0.229 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.985 1.174 -2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.469 3.393 -0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.579 3.549 -1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.196 0.802 1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.293 1.512 0.628 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.652 0.176 2.074 1.00 0.00 H new ATOM 112 N TYR A 7 -6.274 3.056 -2.095 1.00 0.00 N ATOM 113 CA TYR A 7 -5.325 3.741 -2.950 1.00 0.00 C ATOM 114 C TYR A 7 -4.917 2.760 -4.038 1.00 0.00 C ATOM 115 O TYR A 7 -4.939 3.073 -5.228 1.00 0.00 O ATOM 116 CB TYR A 7 -4.100 4.182 -2.141 1.00 0.00 C ATOM 117 CG TYR A 7 -3.027 4.696 -3.074 1.00 0.00 C ATOM 118 CD1 TYR A 7 -3.048 6.029 -3.498 1.00 0.00 C ATOM 119 CD2 TYR A 7 -2.011 3.837 -3.514 1.00 0.00 C ATOM 120 CE1 TYR A 7 -2.054 6.505 -4.361 1.00 0.00 C ATOM 121 CE2 TYR A 7 -1.017 4.314 -4.378 1.00 0.00 C ATOM 122 CZ TYR A 7 -1.039 5.648 -4.802 1.00 0.00 C ATOM 123 OH TYR A 7 -0.061 6.118 -5.654 1.00 0.00 O ATOM 0 H TYR A 7 -6.013 3.005 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.770 4.636 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.382 4.961 -1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.717 3.344 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.831 6.691 -3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.994 2.808 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.070 7.535 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.234 3.653 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.225 7.064 -5.850 1.00 0.00 H new ATOM 133 N LEU A 8 -4.589 1.549 -3.595 1.00 0.00 N ATOM 134 CA LEU A 8 -4.223 0.475 -4.498 1.00 0.00 C ATOM 135 C LEU A 8 -5.374 0.169 -5.457 1.00 0.00 C ATOM 136 O LEU A 8 -5.143 -0.280 -6.581 1.00 0.00 O ATOM 137 CB LEU A 8 -3.870 -0.782 -3.694 1.00 0.00 C ATOM 138 CG LEU A 8 -2.793 -1.588 -4.427 1.00 0.00 C ATOM 139 CD1 LEU A 8 -1.455 -0.843 -4.361 1.00 0.00 C ATOM 140 CD2 LEU A 8 -2.645 -2.960 -3.762 1.00 0.00 C ATOM 0 H LEU A 8 -4.571 1.292 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.356 0.788 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.514 -0.501 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.760 -1.394 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.084 -1.715 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.691 -1.419 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.559 0.134 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.162 -0.713 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.879 -3.536 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.356 -2.830 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.595 -3.492 -3.811 1.00 0.00 H new ATOM 152 N LEU A 9 -6.619 0.406 -5.010 1.00 0.00 N ATOM 153 CA LEU A 9 -7.777 0.135 -5.864 1.00 0.00 C ATOM 154 C LEU A 9 -7.695 0.953 -7.149 1.00 0.00 C ATOM 155 O LEU A 9 -8.266 0.578 -8.174 1.00 0.00 O ATOM 156 CB LEU A 9 -9.088 0.435 -5.126 1.00 0.00 C ATOM 157 CG LEU A 9 -9.775 -0.882 -4.743 1.00 0.00 C ATOM 158 CD1 LEU A 9 -11.032 -0.586 -3.921 1.00 0.00 C ATOM 159 CD2 LEU A 9 -10.163 -1.650 -6.012 1.00 0.00 C ATOM 0 H LEU A 9 -6.842 0.775 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.766 -0.924 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.887 1.026 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.746 1.030 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.088 -1.486 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.519 -1.523 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.756 -0.045 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.718 0.022 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.651 -2.585 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.847 -1.046 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.268 -1.866 -6.595 1.00 0.00 H new ATOM 171 N LYS A 10 -6.966 2.066 -7.089 1.00 0.00 N ATOM 172 CA LYS A 10 -6.796 2.926 -8.256 1.00 0.00 C ATOM 173 C LYS A 10 -5.924 2.219 -9.288 1.00 0.00 C ATOM 174 O LYS A 10 -5.981 2.516 -10.482 1.00 0.00 O ATOM 175 CB LYS A 10 -6.136 4.241 -7.834 1.00 0.00 C ATOM 176 CG LYS A 10 -6.349 5.298 -8.918 1.00 0.00 C ATOM 177 CD LYS A 10 -5.738 6.631 -8.468 1.00 0.00 C ATOM 178 CE LYS A 10 -6.535 7.200 -7.289 1.00 0.00 C ATOM 179 NZ LYS A 10 -5.891 6.792 -6.008 1.00 0.00 N ATOM 0 H LYS A 10 -6.487 2.391 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.771 3.139 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.559 4.584 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.070 4.087 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.889 4.973 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.414 5.423 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.698 6.484 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.741 7.340 -9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.578 8.287 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.563 6.838 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.604 6.370 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.144 6.095 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.475 7.626 -5.548 1.00 0.00 H new ATOM 193 N TYR A 11 -5.141 1.260 -8.804 1.00 0.00 N ATOM 194 CA TYR A 11 -4.268 0.467 -9.653 1.00 0.00 C ATOM 195 C TYR A 11 -4.986 -0.825 -10.019 1.00 0.00 C ATOM 196 O TYR A 11 -4.428 -1.919 -9.916 1.00 0.00 O ATOM 197 CB TYR A 11 -2.957 0.163 -8.920 1.00 0.00 C ATOM 198 CG TYR A 11 -2.054 1.371 -8.990 1.00 0.00 C ATOM 199 CD1 TYR A 11 -2.119 2.355 -7.994 1.00 0.00 C ATOM 200 CD2 TYR A 11 -1.157 1.511 -10.057 1.00 0.00 C ATOM 201 CE1 TYR A 11 -1.285 3.476 -8.066 1.00 0.00 C ATOM 202 CE2 TYR A 11 -0.324 2.633 -10.125 1.00 0.00 C ATOM 203 CZ TYR A 11 -0.387 3.616 -9.131 1.00 0.00 C ATOM 204 OH TYR A 11 0.435 4.722 -9.201 1.00 0.00 O ATOM 0 H TYR A 11 -5.096 1.014 -7.815 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.029 1.020 -10.561 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.160 -0.094 -7.880 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.466 -0.699 -9.372 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.812 2.248 -7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.109 0.754 -10.826 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.334 4.235 -7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.369 2.741 -10.946 1.00 0.00 H new ATOM 0 HH TYR A 11 0.997 4.662 -10.002 1.00 0.00 H new ATOM 214 N ARG A 12 -6.245 -0.663 -10.419 1.00 0.00 N ATOM 215 CA ARG A 12 -7.118 -1.780 -10.794 1.00 0.00 C ATOM 216 C ARG A 12 -6.344 -2.936 -11.435 1.00 0.00 C ATOM 217 O ARG A 12 -5.305 -2.740 -12.067 1.00 0.00 O ATOM 218 CB ARG A 12 -8.188 -1.279 -11.773 1.00 0.00 C ATOM 219 CG ARG A 12 -9.557 -1.853 -11.387 1.00 0.00 C ATOM 220 CD ARG A 12 -10.299 -0.867 -10.479 1.00 0.00 C ATOM 221 NE ARG A 12 -10.967 -1.587 -9.398 1.00 0.00 N ATOM 222 CZ ARG A 12 -12.030 -1.079 -8.775 1.00 0.00 C ATOM 223 NH1 ARG A 12 -12.479 0.104 -9.095 1.00 0.00 N ATOM 224 NH2 ARG A 12 -12.619 -1.763 -7.834 1.00 0.00 N ATOM 0 H ARG A 12 -6.693 0.250 -10.494 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.577 -2.160 -9.882 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.224 -0.190 -11.760 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.932 -1.578 -12.790 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.145 -2.048 -12.284 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.430 -2.807 -10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.597 -0.143 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.031 -0.306 -11.060 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.612 -2.500 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.016 0.645 -9.825 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.293 0.488 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.266 -2.685 -7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.433 -1.376 -7.356 1.00 0.00 H new ATOM 238 N HIS A 13 -6.874 -4.144 -11.255 1.00 0.00 N ATOM 239 CA HIS A 13 -6.258 -5.353 -11.789 1.00 0.00 C ATOM 240 C HIS A 13 -6.290 -5.368 -13.322 1.00 0.00 C ATOM 241 O HIS A 13 -5.284 -5.679 -13.956 1.00 0.00 O ATOM 242 CB HIS A 13 -6.997 -6.581 -11.220 1.00 0.00 C ATOM 243 CG HIS A 13 -6.921 -7.748 -12.174 1.00 0.00 C ATOM 244 ND1 HIS A 13 -6.093 -8.836 -11.943 1.00 0.00 N ATOM 245 CD2 HIS A 13 -7.571 -8.018 -13.353 1.00 0.00 C ATOM 246 CE1 HIS A 13 -6.265 -9.700 -12.960 1.00 0.00 C ATOM 247 NE2 HIS A 13 -7.155 -9.250 -13.847 1.00 0.00 N ATOM 0 H HIS A 13 -7.737 -4.310 -10.738 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.211 -5.379 -11.489 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.560 -6.861 -10.262 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.040 -6.327 -11.032 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.296 -7.371 -13.825 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.746 -10.643 -13.048 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -7.464 -9.711 -14.703 1.00 0.00 H new ATOM 256 N PRO A 14 -7.411 -5.052 -13.922 1.00 0.00 N ATOM 257 CA PRO A 14 -7.552 -5.045 -15.410 1.00 0.00 C ATOM 258 C PRO A 14 -6.407 -4.320 -16.119 1.00 0.00 C ATOM 259 O PRO A 14 -6.071 -3.183 -15.786 1.00 0.00 O ATOM 260 CB PRO A 14 -8.881 -4.327 -15.647 1.00 0.00 C ATOM 261 CG PRO A 14 -9.674 -4.540 -14.402 1.00 0.00 C ATOM 262 CD PRO A 14 -8.668 -4.666 -13.257 1.00 0.00 C ATOM 0 HA PRO A 14 -7.524 -6.056 -15.816 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.725 -3.265 -15.837 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.398 -4.734 -16.516 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.355 -3.706 -14.229 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.285 -5.439 -14.481 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.560 -3.726 -12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.982 -5.417 -12.532 1.00 0.00 H new ATOM 270 N LYS A 15 -5.825 -4.996 -17.110 1.00 0.00 N ATOM 271 CA LYS A 15 -4.725 -4.436 -17.897 1.00 0.00 C ATOM 272 C LYS A 15 -3.579 -3.939 -17.009 1.00 0.00 C ATOM 273 O LYS A 15 -3.237 -2.755 -17.031 1.00 0.00 O ATOM 274 CB LYS A 15 -5.238 -3.279 -18.767 1.00 0.00 C ATOM 275 CG LYS A 15 -6.437 -3.743 -19.602 1.00 0.00 C ATOM 276 CD LYS A 15 -6.000 -4.851 -20.568 1.00 0.00 C ATOM 277 CE LYS A 15 -6.852 -4.796 -21.837 1.00 0.00 C ATOM 278 NZ LYS A 15 -8.297 -4.892 -21.477 1.00 0.00 N ATOM 0 H LYS A 15 -6.099 -5.938 -17.388 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.337 -5.235 -18.529 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.527 -2.439 -18.136 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.442 -2.926 -19.423 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.228 -4.110 -18.947 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.850 -2.903 -20.161 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.946 -4.732 -20.821 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.105 -5.825 -20.090 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.662 -3.867 -22.374 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.579 -5.612 -22.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.851 -5.126 -22.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.428 -5.636 -20.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.620 -3.981 -21.093 1.00 0.00 H new ATOM 292 N PRO A 16 -2.970 -4.818 -16.252 1.00 0.00 N ATOM 293 CA PRO A 16 -1.826 -4.462 -15.366 1.00 0.00 C ATOM 294 C PRO A 16 -0.516 -4.388 -16.139 1.00 0.00 C ATOM 295 O PRO A 16 -0.220 -3.389 -16.795 1.00 0.00 O ATOM 296 CB PRO A 16 -1.826 -5.596 -14.340 1.00 0.00 C ATOM 297 CG PRO A 16 -2.339 -6.786 -15.083 1.00 0.00 C ATOM 298 CD PRO A 16 -3.304 -6.254 -16.147 1.00 0.00 C ATOM 0 HA PRO A 16 -1.924 -3.477 -14.910 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.824 -5.776 -13.950 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.462 -5.358 -13.488 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.520 -7.338 -15.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.847 -7.475 -14.408 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.168 -6.765 -17.100 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.343 -6.401 -15.852 1.00 0.00 H new ATOM 306 N LYS A 17 0.242 -5.460 -16.046 1.00 0.00 N ATOM 307 CA LYS A 17 1.536 -5.586 -16.725 1.00 0.00 C ATOM 308 C LYS A 17 2.616 -4.761 -16.026 1.00 0.00 C ATOM 309 O LYS A 17 3.806 -5.045 -16.168 1.00 0.00 O ATOM 310 CB LYS A 17 1.426 -5.155 -18.195 1.00 0.00 C ATOM 311 CG LYS A 17 0.253 -5.883 -18.866 1.00 0.00 C ATOM 312 CD LYS A 17 -0.159 -5.140 -20.141 1.00 0.00 C ATOM 313 CE LYS A 17 -0.993 -3.907 -19.776 1.00 0.00 C ATOM 314 NZ LYS A 17 -1.898 -3.565 -20.909 1.00 0.00 N ATOM 0 H LYS A 17 -0.015 -6.280 -15.496 1.00 0.00 H new ATOM 0 HA LYS A 17 1.823 -6.637 -16.682 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.280 -4.077 -18.257 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.354 -5.381 -18.720 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.539 -6.907 -19.107 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.591 -5.941 -18.179 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.727 -4.839 -20.700 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.735 -5.801 -20.788 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.577 -4.103 -18.877 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.338 -3.065 -19.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.464 -2.728 -20.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.331 -3.361 -21.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.532 -4.367 -21.101 1.00 0.00 H new ATOM 328 N ASP A 18 2.204 -3.750 -15.267 1.00 0.00 N ATOM 329 CA ASP A 18 3.161 -2.912 -14.548 1.00 0.00 C ATOM 330 C ASP A 18 3.559 -3.583 -13.239 1.00 0.00 C ATOM 331 O ASP A 18 2.727 -4.204 -12.583 1.00 0.00 O ATOM 332 CB ASP A 18 2.546 -1.540 -14.260 1.00 0.00 C ATOM 333 CG ASP A 18 2.479 -0.723 -15.545 1.00 0.00 C ATOM 334 OD1 ASP A 18 1.520 -0.891 -16.281 1.00 0.00 O ATOM 335 OD2 ASP A 18 3.390 0.054 -15.777 1.00 0.00 O ATOM 0 H ASP A 18 1.226 -3.492 -15.134 1.00 0.00 H new ATOM 0 HA ASP A 18 4.048 -2.781 -15.167 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.546 -1.660 -13.842 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.142 -1.014 -13.514 1.00 0.00 H new ATOM 340 N SER A 19 4.829 -3.464 -12.863 1.00 0.00 N ATOM 341 CA SER A 19 5.308 -4.078 -11.630 1.00 0.00 C ATOM 342 C SER A 19 4.450 -3.644 -10.444 1.00 0.00 C ATOM 343 O SER A 19 4.040 -4.471 -9.626 1.00 0.00 O ATOM 344 CB SER A 19 6.764 -3.682 -11.391 1.00 0.00 C ATOM 345 OG SER A 19 7.541 -4.049 -12.523 1.00 0.00 O ATOM 0 H SER A 19 5.538 -2.953 -13.389 1.00 0.00 H new ATOM 0 HA SER A 19 5.238 -5.161 -11.729 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.837 -2.608 -11.217 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.146 -4.176 -10.498 1.00 0.00 H new ATOM 0 HG SER A 19 8.476 -3.795 -12.374 1.00 0.00 H new ATOM 351 N ILE A 20 4.168 -2.346 -10.370 1.00 0.00 N ATOM 352 CA ILE A 20 3.345 -1.812 -9.292 1.00 0.00 C ATOM 353 C ILE A 20 1.922 -2.355 -9.400 1.00 0.00 C ATOM 354 O ILE A 20 1.321 -2.760 -8.404 1.00 0.00 O ATOM 355 CB ILE A 20 3.340 -0.277 -9.344 1.00 0.00 C ATOM 356 CG1 ILE A 20 2.899 0.275 -7.983 1.00 0.00 C ATOM 357 CG2 ILE A 20 2.375 0.214 -10.429 1.00 0.00 C ATOM 358 CD1 ILE A 20 3.038 1.801 -7.969 1.00 0.00 C ATOM 0 H ILE A 20 4.495 -1.650 -11.040 1.00 0.00 H new ATOM 0 HA ILE A 20 3.765 -2.126 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 20 4.345 0.074 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.865 -0.006 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.506 -0.161 -7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.381 1.304 -10.455 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.689 -0.174 -11.398 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.368 -0.138 -10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.723 2.186 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.078 2.073 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.412 2.231 -8.751 1.00 0.00 H new ATOM 370 N SER A 21 1.394 -2.362 -10.624 1.00 0.00 N ATOM 371 CA SER A 21 0.047 -2.859 -10.860 1.00 0.00 C ATOM 372 C SER A 21 -0.026 -4.351 -10.569 1.00 0.00 C ATOM 373 O SER A 21 -1.016 -4.833 -10.024 1.00 0.00 O ATOM 374 CB SER A 21 -0.369 -2.595 -12.310 1.00 0.00 C ATOM 375 OG SER A 21 0.260 -3.540 -13.165 1.00 0.00 O ATOM 0 H SER A 21 1.878 -2.031 -11.459 1.00 0.00 H new ATOM 0 HA SER A 21 -0.636 -2.334 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.452 -2.666 -12.407 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.089 -1.583 -12.601 1.00 0.00 H new ATOM 0 HG SER A 21 1.193 -3.660 -12.890 1.00 0.00 H new ATOM 381 N GLU A 22 1.040 -5.071 -10.924 1.00 0.00 N ATOM 382 CA GLU A 22 1.092 -6.511 -10.697 1.00 0.00 C ATOM 383 C GLU A 22 0.893 -6.799 -9.221 1.00 0.00 C ATOM 384 O GLU A 22 0.184 -7.738 -8.853 1.00 0.00 O ATOM 385 CB GLU A 22 2.440 -7.066 -11.159 1.00 0.00 C ATOM 386 CG GLU A 22 2.528 -6.990 -12.688 1.00 0.00 C ATOM 387 CD GLU A 22 2.427 -8.389 -13.289 1.00 0.00 C ATOM 388 OE1 GLU A 22 3.450 -9.048 -13.382 1.00 0.00 O ATOM 389 OE2 GLU A 22 1.327 -8.782 -13.646 1.00 0.00 O ATOM 0 H GLU A 22 1.872 -4.681 -11.367 1.00 0.00 H new ATOM 0 HA GLU A 22 0.299 -6.993 -11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.253 -6.497 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.553 -8.099 -10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.727 -6.361 -13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.469 -6.526 -12.983 1.00 0.00 H new ATOM 396 N PHE A 23 1.486 -5.961 -8.376 1.00 0.00 N ATOM 397 CA PHE A 23 1.322 -6.117 -6.942 1.00 0.00 C ATOM 398 C PHE A 23 -0.158 -5.963 -6.612 1.00 0.00 C ATOM 399 O PHE A 23 -0.729 -6.752 -5.856 1.00 0.00 O ATOM 400 CB PHE A 23 2.142 -5.056 -6.199 1.00 0.00 C ATOM 401 CG PHE A 23 2.076 -5.310 -4.710 1.00 0.00 C ATOM 402 CD1 PHE A 23 2.657 -6.463 -4.170 1.00 0.00 C ATOM 403 CD2 PHE A 23 1.433 -4.392 -3.871 1.00 0.00 C ATOM 404 CE1 PHE A 23 2.596 -6.698 -2.791 1.00 0.00 C ATOM 405 CE2 PHE A 23 1.372 -4.627 -2.492 1.00 0.00 C ATOM 406 CZ PHE A 23 1.953 -5.780 -1.953 1.00 0.00 C ATOM 0 H PHE A 23 2.076 -5.178 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 23 1.675 -7.100 -6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.178 -5.082 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.758 -4.061 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.153 -7.172 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.984 -3.502 -4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.045 -7.587 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.877 -3.918 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.905 -5.962 -0.889 1.00 0.00 H new ATOM 416 N ALA A 24 -0.771 -4.944 -7.217 1.00 0.00 N ATOM 417 CA ALA A 24 -2.193 -4.678 -7.026 1.00 0.00 C ATOM 418 C ALA A 24 -3.034 -5.882 -7.447 1.00 0.00 C ATOM 419 O ALA A 24 -3.980 -6.254 -6.753 1.00 0.00 O ATOM 420 CB ALA A 24 -2.612 -3.452 -7.842 1.00 0.00 C ATOM 0 H ALA A 24 -0.302 -4.290 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.363 -4.487 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.675 -3.262 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.039 -2.584 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.421 -3.636 -8.899 1.00 0.00 H new ATOM 426 N ASN A 25 -2.688 -6.485 -8.590 1.00 0.00 N ATOM 427 CA ASN A 25 -3.430 -7.644 -9.092 1.00 0.00 C ATOM 428 C ASN A 25 -3.485 -8.739 -8.030 1.00 0.00 C ATOM 429 O ASN A 25 -4.548 -9.293 -7.755 1.00 0.00 O ATOM 430 CB ASN A 25 -2.774 -8.202 -10.364 1.00 0.00 C ATOM 431 CG ASN A 25 -2.810 -7.162 -11.484 1.00 0.00 C ATOM 432 OD1 ASN A 25 -1.899 -6.351 -11.600 1.00 0.00 O ATOM 433 ND2 ASN A 25 -3.799 -7.150 -12.334 1.00 0.00 N ATOM 0 H ASN A 25 -1.908 -6.193 -9.178 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.443 -7.317 -9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.742 -8.484 -10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.294 -9.106 -10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.812 -6.467 -13.092 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.559 -7.823 -12.241 1.00 0.00 H new ATOM 440 N GLN A 26 -2.333 -9.038 -7.431 1.00 0.00 N ATOM 441 CA GLN A 26 -2.266 -10.062 -6.393 1.00 0.00 C ATOM 442 C GLN A 26 -3.127 -9.652 -5.200 1.00 0.00 C ATOM 443 O GLN A 26 -3.969 -10.421 -4.737 1.00 0.00 O ATOM 444 CB GLN A 26 -0.811 -10.264 -5.946 1.00 0.00 C ATOM 445 CG GLN A 26 -0.727 -11.406 -4.926 1.00 0.00 C ATOM 446 CD GLN A 26 -1.240 -12.707 -5.539 1.00 0.00 C ATOM 447 OE1 GLN A 26 -2.423 -13.025 -5.427 1.00 0.00 O ATOM 448 NE2 GLN A 26 -0.412 -13.484 -6.181 1.00 0.00 N ATOM 0 H GLN A 26 -1.442 -8.590 -7.645 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.644 -11.001 -6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.185 -10.490 -6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.426 -9.344 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.304 -11.533 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.314 -11.157 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.569 -13.219 -6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.745 -14.357 -6.591 1.00 0.00 H new ATOM 457 N ALA A 27 -2.914 -8.429 -4.721 1.00 0.00 N ATOM 458 CA ALA A 27 -3.680 -7.906 -3.593 1.00 0.00 C ATOM 459 C ALA A 27 -5.176 -7.914 -3.908 1.00 0.00 C ATOM 460 O ALA A 27 -6.010 -8.076 -3.016 1.00 0.00 O ATOM 461 CB ALA A 27 -3.232 -6.476 -3.281 1.00 0.00 C ATOM 0 H ALA A 27 -2.219 -7.783 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.500 -8.544 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.806 -6.090 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.172 -6.474 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.398 -5.844 -4.153 1.00 0.00 H new ATOM 467 N TYR A 28 -5.504 -7.729 -5.185 1.00 0.00 N ATOM 468 CA TYR A 28 -6.899 -7.707 -5.627 1.00 0.00 C ATOM 469 C TYR A 28 -7.590 -9.042 -5.349 1.00 0.00 C ATOM 470 O TYR A 28 -8.812 -9.097 -5.196 1.00 0.00 O ATOM 471 CB TYR A 28 -6.961 -7.396 -7.128 1.00 0.00 C ATOM 472 CG TYR A 28 -8.371 -7.014 -7.517 1.00 0.00 C ATOM 473 CD1 TYR A 28 -8.784 -5.679 -7.428 1.00 0.00 C ATOM 474 CD2 TYR A 28 -9.262 -7.994 -7.972 1.00 0.00 C ATOM 475 CE1 TYR A 28 -10.089 -5.326 -7.793 1.00 0.00 C ATOM 476 CE2 TYR A 28 -10.565 -7.640 -8.337 1.00 0.00 C ATOM 477 CZ TYR A 28 -10.980 -6.306 -8.248 1.00 0.00 C ATOM 478 OH TYR A 28 -12.265 -5.958 -8.608 1.00 0.00 O ATOM 0 H TYR A 28 -4.824 -7.592 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.421 -6.931 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.275 -6.583 -7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.639 -8.265 -7.702 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.097 -4.923 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.943 -9.023 -8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.409 -4.297 -7.724 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.251 -8.396 -8.688 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.750 -6.757 -8.902 1.00 0.00 H new ATOM 488 N GLU A 29 -6.804 -10.117 -5.298 1.00 0.00 N ATOM 489 CA GLU A 29 -7.352 -11.447 -5.052 1.00 0.00 C ATOM 490 C GLU A 29 -7.492 -11.712 -3.554 1.00 0.00 C ATOM 491 O GLU A 29 -7.920 -12.793 -3.146 1.00 0.00 O ATOM 492 CB GLU A 29 -6.441 -12.509 -5.676 1.00 0.00 C ATOM 493 CG GLU A 29 -5.799 -11.957 -6.953 1.00 0.00 C ATOM 494 CD GLU A 29 -5.361 -13.104 -7.859 1.00 0.00 C ATOM 495 OE1 GLU A 29 -4.516 -13.876 -7.438 1.00 0.00 O ATOM 496 OE2 GLU A 29 -5.877 -13.192 -8.961 1.00 0.00 O ATOM 0 H GLU A 29 -5.792 -10.092 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.341 -11.497 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.667 -12.800 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.017 -13.406 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.509 -11.319 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.940 -11.336 -6.698 1.00 0.00 H new ATOM 503 N ASP A 30 -7.133 -10.721 -2.742 1.00 0.00 N ATOM 504 CA ASP A 30 -7.227 -10.860 -1.293 1.00 0.00 C ATOM 505 C ASP A 30 -8.669 -10.647 -0.829 1.00 0.00 C ATOM 506 O ASP A 30 -9.601 -10.651 -1.635 1.00 0.00 O ATOM 507 CB ASP A 30 -6.302 -9.844 -0.610 1.00 0.00 C ATOM 508 CG ASP A 30 -5.673 -10.456 0.639 1.00 0.00 C ATOM 509 OD1 ASP A 30 -6.369 -10.575 1.634 1.00 0.00 O ATOM 510 OD2 ASP A 30 -4.502 -10.795 0.585 1.00 0.00 O ATOM 0 H ASP A 30 -6.777 -9.820 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.917 -11.868 -1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.521 -9.530 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.867 -8.951 -0.341 1.00 0.00 H new ATOM 515 N HIS A 31 -8.836 -10.459 0.477 1.00 0.00 N ATOM 516 CA HIS A 31 -10.158 -10.241 1.061 1.00 0.00 C ATOM 517 C HIS A 31 -10.036 -9.974 2.560 1.00 0.00 C ATOM 518 O HIS A 31 -10.859 -9.266 3.144 1.00 0.00 O ATOM 519 CB HIS A 31 -11.054 -11.465 0.830 1.00 0.00 C ATOM 520 CG HIS A 31 -10.410 -12.687 1.428 1.00 0.00 C ATOM 521 ND1 HIS A 31 -9.609 -13.541 0.684 1.00 0.00 N ATOM 522 CD2 HIS A 31 -10.439 -13.210 2.696 1.00 0.00 C ATOM 523 CE1 HIS A 31 -9.195 -14.524 1.506 1.00 0.00 C ATOM 524 NE2 HIS A 31 -9.672 -14.369 2.743 1.00 0.00 N ATOM 0 H HIS A 31 -8.072 -10.453 1.153 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.608 -9.374 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.033 -11.301 1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.215 -11.613 -0.238 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.976 -12.786 3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.555 -15.339 1.201 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.509 -14.971 3.550 1.00 0.00 H new ATOM 533 N SER A 32 -9.000 -10.543 3.176 1.00 0.00 N ATOM 534 CA SER A 32 -8.775 -10.361 4.605 1.00 0.00 C ATOM 535 C SER A 32 -7.818 -9.197 4.848 1.00 0.00 C ATOM 536 O SER A 32 -7.549 -8.833 5.995 1.00 0.00 O ATOM 537 CB SER A 32 -8.193 -11.641 5.206 1.00 0.00 C ATOM 538 OG SER A 32 -6.970 -11.954 4.551 1.00 0.00 O ATOM 0 H SER A 32 -8.309 -11.130 2.709 1.00 0.00 H new ATOM 0 HA SER A 32 -9.729 -10.138 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.023 -11.510 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.900 -12.463 5.094 1.00 0.00 H new ATOM 0 HG SER A 32 -6.594 -12.773 4.935 1.00 0.00 H new ATOM 544 N PHE A 33 -7.317 -8.613 3.760 1.00 0.00 N ATOM 545 CA PHE A 33 -6.400 -7.479 3.854 1.00 0.00 C ATOM 546 C PHE A 33 -6.966 -6.416 4.798 1.00 0.00 C ATOM 547 O PHE A 33 -8.165 -6.136 4.770 1.00 0.00 O ATOM 548 CB PHE A 33 -6.187 -6.875 2.460 1.00 0.00 C ATOM 549 CG PHE A 33 -5.084 -5.843 2.512 1.00 0.00 C ATOM 550 CD1 PHE A 33 -5.374 -4.525 2.886 1.00 0.00 C ATOM 551 CD2 PHE A 33 -3.770 -6.204 2.187 1.00 0.00 C ATOM 552 CE1 PHE A 33 -4.352 -3.569 2.937 1.00 0.00 C ATOM 553 CE2 PHE A 33 -2.748 -5.248 2.237 1.00 0.00 C ATOM 554 CZ PHE A 33 -3.040 -3.931 2.613 1.00 0.00 C ATOM 0 H PHE A 33 -7.530 -8.906 2.806 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.446 -7.826 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.930 -7.660 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.111 -6.416 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.387 -4.246 3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.545 -7.220 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.576 -2.553 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.735 -5.526 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.252 -3.194 2.653 1.00 0.00 H new ATOM 564 N PRO A 34 -6.134 -5.824 5.625 1.00 0.00 N ATOM 565 CA PRO A 34 -6.570 -4.768 6.595 1.00 0.00 C ATOM 566 C PRO A 34 -6.994 -3.472 5.896 1.00 0.00 C ATOM 567 O PRO A 34 -6.449 -2.402 6.162 1.00 0.00 O ATOM 568 CB PRO A 34 -5.332 -4.548 7.475 1.00 0.00 C ATOM 569 CG PRO A 34 -4.173 -4.985 6.644 1.00 0.00 C ATOM 570 CD PRO A 34 -4.688 -6.095 5.730 1.00 0.00 C ATOM 0 HA PRO A 34 -7.449 -5.073 7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.236 -3.501 7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.396 -5.128 8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.779 -4.153 6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.359 -5.347 7.273 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.204 -6.066 4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.496 -7.082 6.152 1.00 0.00 H new ATOM 578 N LYS A 35 -7.973 -3.582 5.001 1.00 0.00 N ATOM 579 CA LYS A 35 -8.475 -2.421 4.267 1.00 0.00 C ATOM 580 C LYS A 35 -8.961 -1.332 5.224 1.00 0.00 C ATOM 581 O LYS A 35 -9.008 -0.156 4.866 1.00 0.00 O ATOM 582 CB LYS A 35 -9.626 -2.847 3.348 1.00 0.00 C ATOM 583 CG LYS A 35 -10.766 -3.448 4.184 1.00 0.00 C ATOM 584 CD LYS A 35 -11.560 -4.446 3.336 1.00 0.00 C ATOM 585 CE LYS A 35 -12.354 -3.696 2.263 1.00 0.00 C ATOM 586 NZ LYS A 35 -13.165 -4.667 1.475 1.00 0.00 N ATOM 0 H LYS A 35 -8.434 -4.461 4.766 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.657 -2.016 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.990 -1.988 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.272 -3.578 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.360 -3.947 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.424 -2.656 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.882 -5.160 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.238 -5.018 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.005 -2.956 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.675 -3.155 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.704 -4.158 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.534 -5.357 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.823 -5.164 2.108 1.00 0.00 H new ATOM 600 N THR A 36 -9.334 -1.737 6.436 1.00 0.00 N ATOM 601 CA THR A 36 -9.830 -0.794 7.434 1.00 0.00 C ATOM 602 C THR A 36 -8.713 -0.359 8.387 1.00 0.00 C ATOM 603 O THR A 36 -8.960 -0.104 9.568 1.00 0.00 O ATOM 604 CB THR A 36 -10.976 -1.442 8.226 1.00 0.00 C ATOM 605 OG1 THR A 36 -11.503 -0.505 9.157 1.00 0.00 O ATOM 606 CG2 THR A 36 -10.460 -2.674 8.977 1.00 0.00 C ATOM 0 H THR A 36 -9.302 -2.707 6.749 1.00 0.00 H new ATOM 0 HA THR A 36 -10.196 0.094 6.919 1.00 0.00 H new ATOM 0 HB THR A 36 -11.760 -1.747 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.766 -0.038 9.604 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.278 -3.128 9.536 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.064 -3.396 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.671 -2.375 9.667 1.00 0.00 H new ATOM 614 N SER A 37 -7.488 -0.268 7.865 1.00 0.00 N ATOM 615 CA SER A 37 -6.338 0.139 8.672 1.00 0.00 C ATOM 616 C SER A 37 -5.064 0.095 7.833 1.00 0.00 C ATOM 617 O SER A 37 -4.717 -0.945 7.275 1.00 0.00 O ATOM 618 CB SER A 37 -6.181 -0.795 9.877 1.00 0.00 C ATOM 619 OG SER A 37 -5.175 -0.283 10.741 1.00 0.00 O ATOM 0 H SER A 37 -7.268 -0.470 6.890 1.00 0.00 H new ATOM 0 HA SER A 37 -6.506 1.157 9.022 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.127 -0.880 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.913 -1.797 9.542 1.00 0.00 H new ATOM 0 HG SER A 37 -4.664 -1.026 11.124 1.00 0.00 H new ATOM 625 N THR A 38 -4.367 1.226 7.749 1.00 0.00 N ATOM 626 CA THR A 38 -3.133 1.284 6.971 1.00 0.00 C ATOM 627 C THR A 38 -1.981 1.823 7.817 1.00 0.00 C ATOM 628 O THR A 38 -1.928 3.010 8.142 1.00 0.00 O ATOM 629 CB THR A 38 -3.329 2.167 5.729 1.00 0.00 C ATOM 630 OG1 THR A 38 -2.093 2.288 5.038 1.00 0.00 O ATOM 631 CG2 THR A 38 -3.821 3.559 6.142 1.00 0.00 C ATOM 0 H THR A 38 -4.630 2.101 8.202 1.00 0.00 H new ATOM 0 HA THR A 38 -2.884 0.272 6.654 1.00 0.00 H new ATOM 0 HB THR A 38 -4.073 1.707 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.174 2.972 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.956 4.176 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.771 3.468 6.668 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.086 4.025 6.798 1.00 0.00 H new ATOM 639 N ASP A 39 -1.056 0.931 8.152 1.00 0.00 N ATOM 640 CA ASP A 39 0.117 1.288 8.941 1.00 0.00 C ATOM 641 C ASP A 39 1.313 0.471 8.457 1.00 0.00 C ATOM 642 O ASP A 39 1.224 -0.750 8.345 1.00 0.00 O ATOM 643 CB ASP A 39 -0.156 1.026 10.427 1.00 0.00 C ATOM 644 CG ASP A 39 1.147 1.002 11.224 1.00 0.00 C ATOM 645 OD1 ASP A 39 1.976 1.870 11.002 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.295 0.118 12.050 1.00 0.00 O ATOM 0 H ASP A 39 -1.097 -0.053 7.887 1.00 0.00 H new ATOM 0 HA ASP A 39 0.339 2.348 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.814 1.800 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.676 0.075 10.543 1.00 0.00 H new ATOM 651 N TYR A 40 2.422 1.142 8.157 1.00 0.00 N ATOM 652 CA TYR A 40 3.609 0.448 7.662 1.00 0.00 C ATOM 653 C TYR A 40 3.908 -0.797 8.494 1.00 0.00 C ATOM 654 O TYR A 40 4.151 -1.868 7.943 1.00 0.00 O ATOM 655 CB TYR A 40 4.822 1.384 7.680 1.00 0.00 C ATOM 656 CG TYR A 40 6.003 0.694 7.032 1.00 0.00 C ATOM 657 CD1 TYR A 40 6.038 0.520 5.641 1.00 0.00 C ATOM 658 CD2 TYR A 40 7.062 0.225 7.821 1.00 0.00 C ATOM 659 CE1 TYR A 40 7.131 -0.121 5.043 1.00 0.00 C ATOM 660 CE2 TYR A 40 8.155 -0.415 7.221 1.00 0.00 C ATOM 661 CZ TYR A 40 8.188 -0.588 5.832 1.00 0.00 C ATOM 662 OH TYR A 40 9.265 -1.218 5.241 1.00 0.00 O ATOM 0 H TYR A 40 2.524 2.153 8.246 1.00 0.00 H new ATOM 0 HA TYR A 40 3.408 0.138 6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.590 2.307 7.148 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.067 1.660 8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.223 0.880 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.036 0.357 8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.158 -0.255 3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.971 -0.775 7.830 1.00 0.00 H new ATOM 0 HH TYR A 40 9.910 -1.479 5.931 1.00 0.00 H new ATOM 672 N HIS A 41 3.881 -0.656 9.816 1.00 0.00 N ATOM 673 CA HIS A 41 4.146 -1.791 10.696 1.00 0.00 C ATOM 674 C HIS A 41 3.083 -2.874 10.503 1.00 0.00 C ATOM 675 O HIS A 41 3.405 -4.053 10.343 1.00 0.00 O ATOM 676 CB HIS A 41 4.153 -1.332 12.158 1.00 0.00 C ATOM 677 CG HIS A 41 4.951 -2.301 12.988 1.00 0.00 C ATOM 678 ND1 HIS A 41 4.569 -3.624 13.148 1.00 0.00 N ATOM 679 CD2 HIS A 41 6.107 -2.153 13.713 1.00 0.00 C ATOM 680 CE1 HIS A 41 5.482 -4.216 13.941 1.00 0.00 C ATOM 681 NE2 HIS A 41 6.440 -3.364 14.313 1.00 0.00 N ATOM 0 H HIS A 41 3.681 0.221 10.297 1.00 0.00 H new ATOM 0 HA HIS A 41 5.123 -2.204 10.444 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.582 -0.333 12.234 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.132 -1.270 12.535 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.672 -1.237 13.804 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.444 -5.253 14.240 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.244 -3.559 14.909 1.00 0.00 H new ATOM 690 N GLU A 42 1.819 -2.460 10.522 1.00 0.00 N ATOM 691 CA GLU A 42 0.703 -3.389 10.349 1.00 0.00 C ATOM 692 C GLU A 42 0.753 -4.068 8.980 1.00 0.00 C ATOM 693 O GLU A 42 0.663 -5.292 8.882 1.00 0.00 O ATOM 694 CB GLU A 42 -0.621 -2.635 10.498 1.00 0.00 C ATOM 695 CG GLU A 42 -1.796 -3.604 10.317 1.00 0.00 C ATOM 696 CD GLU A 42 -3.097 -2.825 10.145 1.00 0.00 C ATOM 697 OE1 GLU A 42 -3.197 -2.085 9.181 1.00 0.00 O ATOM 698 OE2 GLU A 42 -3.974 -2.980 10.979 1.00 0.00 O ATOM 0 H GLU A 42 1.541 -1.488 10.655 1.00 0.00 H new ATOM 0 HA GLU A 42 0.781 -4.160 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.674 -2.165 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.680 -1.836 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.624 -4.237 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.870 -4.264 11.181 1.00 0.00 H new ATOM 705 N ILE A 43 0.886 -3.264 7.929 1.00 0.00 N ATOM 706 CA ILE A 43 0.931 -3.794 6.569 1.00 0.00 C ATOM 707 C ILE A 43 2.162 -4.678 6.375 1.00 0.00 C ATOM 708 O ILE A 43 2.053 -5.799 5.877 1.00 0.00 O ATOM 709 CB ILE A 43 0.958 -2.643 5.554 1.00 0.00 C ATOM 710 CG1 ILE A 43 -0.237 -1.703 5.790 1.00 0.00 C ATOM 711 CG2 ILE A 43 0.887 -3.208 4.131 1.00 0.00 C ATOM 712 CD1 ILE A 43 -1.546 -2.496 5.792 1.00 0.00 C ATOM 0 H ILE A 43 0.964 -2.249 7.991 1.00 0.00 H new ATOM 0 HA ILE A 43 0.037 -4.397 6.408 1.00 0.00 H new ATOM 0 HB ILE A 43 1.885 -2.083 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.117 -1.184 6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.267 -0.940 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.906 -2.388 3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.740 -3.863 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.036 -3.775 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.382 -1.817 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.671 -2.995 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.518 -3.242 6.587 1.00 0.00 H new ATOM 724 N SER A 44 3.326 -4.171 6.773 1.00 0.00 N ATOM 725 CA SER A 44 4.568 -4.930 6.639 1.00 0.00 C ATOM 726 C SER A 44 4.402 -6.331 7.224 1.00 0.00 C ATOM 727 O SER A 44 4.875 -7.313 6.649 1.00 0.00 O ATOM 728 CB SER A 44 5.709 -4.205 7.355 1.00 0.00 C ATOM 729 OG SER A 44 6.890 -4.992 7.272 1.00 0.00 O ATOM 0 H SER A 44 3.436 -3.246 7.188 1.00 0.00 H new ATOM 0 HA SER A 44 4.807 -5.015 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.876 -3.228 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.447 -4.031 8.399 1.00 0.00 H new ATOM 0 HG SER A 44 6.838 -5.729 7.916 1.00 0.00 H new ATOM 735 N SER A 45 3.721 -6.414 8.366 1.00 0.00 N ATOM 736 CA SER A 45 3.488 -7.698 9.019 1.00 0.00 C ATOM 737 C SER A 45 2.613 -8.588 8.142 1.00 0.00 C ATOM 738 O SER A 45 2.843 -9.792 8.045 1.00 0.00 O ATOM 739 CB SER A 45 2.810 -7.483 10.372 1.00 0.00 C ATOM 740 OG SER A 45 2.986 -8.642 11.176 1.00 0.00 O ATOM 0 H SER A 45 3.324 -5.612 8.855 1.00 0.00 H new ATOM 0 HA SER A 45 4.449 -8.188 9.173 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.236 -6.612 10.871 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.748 -7.282 10.231 1.00 0.00 H new ATOM 0 HG SER A 45 2.553 -8.506 12.045 1.00 0.00 H new ATOM 746 N TYR A 46 1.612 -7.982 7.505 1.00 0.00 N ATOM 747 CA TYR A 46 0.701 -8.722 6.634 1.00 0.00 C ATOM 748 C TYR A 46 1.474 -9.380 5.494 1.00 0.00 C ATOM 749 O TYR A 46 1.148 -10.489 5.067 1.00 0.00 O ATOM 750 CB TYR A 46 -0.363 -7.772 6.064 1.00 0.00 C ATOM 751 CG TYR A 46 -1.479 -8.571 5.428 1.00 0.00 C ATOM 752 CD1 TYR A 46 -2.456 -9.174 6.231 1.00 0.00 C ATOM 753 CD2 TYR A 46 -1.537 -8.707 4.034 1.00 0.00 C ATOM 754 CE1 TYR A 46 -3.489 -9.912 5.641 1.00 0.00 C ATOM 755 CE2 TYR A 46 -2.572 -9.444 3.445 1.00 0.00 C ATOM 756 CZ TYR A 46 -3.547 -10.047 4.248 1.00 0.00 C ATOM 757 OH TYR A 46 -4.565 -10.772 3.667 1.00 0.00 O ATOM 0 H TYR A 46 1.412 -6.984 7.575 1.00 0.00 H new ATOM 0 HA TYR A 46 0.211 -9.500 7.219 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.763 -7.141 6.858 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.087 -7.108 5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.412 -9.069 7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.784 -8.243 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.242 -10.377 6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.618 -9.547 2.371 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.249 -10.972 4.340 1.00 0.00 H new ATOM 767 N LEU A 47 2.506 -8.692 5.014 1.00 0.00 N ATOM 768 CA LEU A 47 3.329 -9.221 3.932 1.00 0.00 C ATOM 769 C LEU A 47 4.247 -10.323 4.457 1.00 0.00 C ATOM 770 O LEU A 47 4.316 -11.411 3.886 1.00 0.00 O ATOM 771 CB LEU A 47 4.169 -8.101 3.310 1.00 0.00 C ATOM 772 CG LEU A 47 3.259 -6.931 2.915 1.00 0.00 C ATOM 773 CD1 LEU A 47 4.113 -5.752 2.448 1.00 0.00 C ATOM 774 CD2 LEU A 47 2.324 -7.364 1.779 1.00 0.00 C ATOM 0 H LEU A 47 2.791 -7.774 5.354 1.00 0.00 H new ATOM 0 HA LEU A 47 2.672 -9.639 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.925 -7.763 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.699 -8.474 2.434 1.00 0.00 H new ATOM 0 HG LEU A 47 2.665 -6.631 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.465 -4.922 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.774 -5.439 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.709 -6.053 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.679 -6.530 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.916 -7.668 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.711 -8.202 2.112 1.00 0.00 H new ATOM 786 N GLU A 48 4.944 -10.032 5.555 1.00 0.00 N ATOM 787 CA GLU A 48 5.853 -11.002 6.164 1.00 0.00 C ATOM 788 C GLU A 48 5.080 -12.214 6.672 1.00 0.00 C ATOM 789 O GLU A 48 5.634 -13.305 6.821 1.00 0.00 O ATOM 790 CB GLU A 48 6.603 -10.352 7.329 1.00 0.00 C ATOM 791 CG GLU A 48 7.564 -9.295 6.784 1.00 0.00 C ATOM 792 CD GLU A 48 8.318 -8.627 7.932 1.00 0.00 C ATOM 793 OE1 GLU A 48 9.180 -9.273 8.505 1.00 0.00 O ATOM 794 OE2 GLU A 48 8.022 -7.479 8.221 1.00 0.00 O ATOM 0 H GLU A 48 4.897 -9.136 6.039 1.00 0.00 H new ATOM 0 HA GLU A 48 6.566 -11.329 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.896 -9.895 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.154 -11.108 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.271 -9.756 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.010 -8.546 6.218 1.00 0.00 H new ATOM 801 N LEU A 49 3.793 -12.007 6.936 1.00 0.00 N ATOM 802 CA LEU A 49 2.924 -13.075 7.430 1.00 0.00 C ATOM 803 C LEU A 49 2.751 -14.163 6.374 1.00 0.00 C ATOM 804 O LEU A 49 2.255 -15.251 6.669 1.00 0.00 O ATOM 805 CB LEU A 49 1.553 -12.506 7.804 1.00 0.00 C ATOM 806 CG LEU A 49 1.542 -12.116 9.287 1.00 0.00 C ATOM 807 CD1 LEU A 49 0.525 -10.994 9.512 1.00 0.00 C ATOM 808 CD2 LEU A 49 1.155 -13.334 10.134 1.00 0.00 C ATOM 0 H LEU A 49 3.326 -11.108 6.816 1.00 0.00 H new ATOM 0 HA LEU A 49 3.390 -13.512 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.329 -11.635 7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.776 -13.244 7.607 1.00 0.00 H new ATOM 0 HG LEU A 49 2.534 -11.771 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.517 -10.716 10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.800 -10.128 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.467 -11.338 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.147 -13.057 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.163 -13.680 9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.879 -14.133 9.974 1.00 0.00 H new ATOM 820 N ASN A 50 3.158 -13.860 5.145 1.00 0.00 N ATOM 821 CA ASN A 50 3.039 -14.818 4.049 1.00 0.00 C ATOM 822 C ASN A 50 4.157 -14.611 3.027 1.00 0.00 C ATOM 823 O ASN A 50 4.229 -13.573 2.368 1.00 0.00 O ATOM 824 CB ASN A 50 1.678 -14.666 3.361 1.00 0.00 C ATOM 825 CG ASN A 50 1.416 -15.858 2.441 1.00 0.00 C ATOM 826 OD1 ASN A 50 2.156 -16.842 2.471 1.00 0.00 O ATOM 827 ND2 ASN A 50 0.401 -15.826 1.623 1.00 0.00 N ATOM 0 H ASN A 50 3.571 -12.965 4.883 1.00 0.00 H new ATOM 0 HA ASN A 50 3.124 -15.823 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.889 -14.595 4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.655 -13.741 2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.218 -16.617 1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.210 -15.010 1.600 1.00 0.00 H new ATOM 834 N ALA A 51 5.022 -15.617 2.909 1.00 0.00 N ATOM 835 CA ALA A 51 6.147 -15.568 1.975 1.00 0.00 C ATOM 836 C ALA A 51 5.676 -15.263 0.554 1.00 0.00 C ATOM 837 O ALA A 51 6.450 -14.781 -0.271 1.00 0.00 O ATOM 838 CB ALA A 51 6.891 -16.905 1.989 1.00 0.00 C ATOM 0 H ALA A 51 4.965 -16.479 3.451 1.00 0.00 H new ATOM 0 HA ALA A 51 6.815 -14.768 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.728 -16.863 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.265 -17.103 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.211 -17.703 1.692 1.00 0.00 H new ATOM 844 N ASP A 52 4.408 -15.555 0.274 1.00 0.00 N ATOM 845 CA ASP A 52 3.850 -15.318 -1.057 1.00 0.00 C ATOM 846 C ASP A 52 3.999 -13.850 -1.457 1.00 0.00 C ATOM 847 O ASP A 52 4.071 -13.528 -2.644 1.00 0.00 O ATOM 848 CB ASP A 52 2.366 -15.702 -1.076 1.00 0.00 C ATOM 849 CG ASP A 52 2.204 -17.214 -0.915 1.00 0.00 C ATOM 850 OD1 ASP A 52 2.798 -17.763 -0.001 1.00 0.00 O ATOM 851 OD2 ASP A 52 1.486 -17.801 -1.707 1.00 0.00 O ATOM 0 H ASP A 52 3.751 -15.953 0.945 1.00 0.00 H new ATOM 0 HA ASP A 52 4.399 -15.933 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.840 -15.186 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.912 -15.379 -2.013 1.00 0.00 H new ATOM 856 N TYR A 53 4.048 -12.966 -0.463 1.00 0.00 N ATOM 857 CA TYR A 53 4.194 -11.536 -0.727 1.00 0.00 C ATOM 858 C TYR A 53 5.664 -11.124 -0.660 1.00 0.00 C ATOM 859 O TYR A 53 6.060 -10.115 -1.243 1.00 0.00 O ATOM 860 CB TYR A 53 3.384 -10.736 0.295 1.00 0.00 C ATOM 861 CG TYR A 53 1.917 -10.796 -0.068 1.00 0.00 C ATOM 862 CD1 TYR A 53 1.171 -11.946 0.221 1.00 0.00 C ATOM 863 CD2 TYR A 53 1.303 -9.703 -0.693 1.00 0.00 C ATOM 864 CE1 TYR A 53 -0.186 -12.003 -0.117 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.054 -9.761 -1.032 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.799 -10.910 -0.744 1.00 0.00 C ATOM 867 OH TYR A 53 -2.137 -10.964 -1.077 1.00 0.00 O ATOM 0 H TYR A 53 3.989 -13.212 0.525 1.00 0.00 H new ATOM 0 HA TYR A 53 3.820 -11.327 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.539 -11.140 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.723 -9.700 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.643 -12.789 0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.877 -8.815 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.761 -12.890 0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.526 -8.919 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.680 -10.892 -0.264 1.00 0.00 H new ATOM 877 N LEU A 54 6.466 -11.914 0.049 1.00 0.00 N ATOM 878 CA LEU A 54 7.894 -11.634 0.180 1.00 0.00 C ATOM 879 C LEU A 54 8.555 -11.526 -1.197 1.00 0.00 C ATOM 880 O LEU A 54 9.500 -10.759 -1.384 1.00 0.00 O ATOM 881 CB LEU A 54 8.567 -12.748 0.993 1.00 0.00 C ATOM 882 CG LEU A 54 10.060 -12.441 1.172 1.00 0.00 C ATOM 883 CD1 LEU A 54 10.235 -11.123 1.935 1.00 0.00 C ATOM 884 CD2 LEU A 54 10.719 -13.577 1.961 1.00 0.00 C ATOM 0 H LEU A 54 6.153 -12.751 0.541 1.00 0.00 H new ATOM 0 HA LEU A 54 8.014 -10.682 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.087 -12.839 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.443 -13.705 0.486 1.00 0.00 H new ATOM 0 HG LEU A 54 10.529 -12.352 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.297 -10.912 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.767 -10.313 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.765 -11.205 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.780 -13.363 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.245 -13.664 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.602 -14.514 1.416 1.00 0.00 H new ATOM 896 N HIS A 55 8.053 -12.310 -2.151 1.00 0.00 N ATOM 897 CA HIS A 55 8.603 -12.318 -3.508 1.00 0.00 C ATOM 898 C HIS A 55 8.261 -11.034 -4.268 1.00 0.00 C ATOM 899 O HIS A 55 8.558 -10.917 -5.458 1.00 0.00 O ATOM 900 CB HIS A 55 8.063 -13.526 -4.280 1.00 0.00 C ATOM 901 CG HIS A 55 8.466 -14.795 -3.577 1.00 0.00 C ATOM 902 ND1 HIS A 55 7.770 -15.286 -2.485 1.00 0.00 N ATOM 903 CD2 HIS A 55 9.491 -15.682 -3.798 1.00 0.00 C ATOM 904 CE1 HIS A 55 8.378 -16.420 -2.092 1.00 0.00 C ATOM 905 NE2 HIS A 55 9.434 -16.707 -2.858 1.00 0.00 N ATOM 0 H HIS A 55 7.268 -12.947 -2.011 1.00 0.00 H new ATOM 0 HA HIS A 55 9.688 -12.382 -3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.977 -13.468 -4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.452 -13.523 -5.298 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.946 -14.864 -2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.229 -15.597 -4.582 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.052 -17.025 -1.259 1.00 0.00 H new ATOM 914 N THR A 56 7.649 -10.073 -3.580 1.00 0.00 N ATOM 915 CA THR A 56 7.291 -8.803 -4.210 1.00 0.00 C ATOM 916 C THR A 56 7.392 -7.669 -3.196 1.00 0.00 C ATOM 917 O THR A 56 6.913 -6.559 -3.436 1.00 0.00 O ATOM 918 CB THR A 56 5.874 -8.873 -4.795 1.00 0.00 C ATOM 919 OG1 THR A 56 5.545 -7.627 -5.393 1.00 0.00 O ATOM 920 CG2 THR A 56 4.862 -9.194 -3.693 1.00 0.00 C ATOM 0 H THR A 56 7.392 -10.147 -2.596 1.00 0.00 H new ATOM 0 HA THR A 56 7.989 -8.609 -5.025 1.00 0.00 H new ATOM 0 HB THR A 56 5.840 -9.661 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.661 -6.908 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.861 -9.241 -4.121 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.109 -10.155 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.895 -8.415 -2.931 1.00 0.00 H new ATOM 928 N MET A 57 8.032 -7.960 -2.068 1.00 0.00 N ATOM 929 CA MET A 57 8.214 -6.971 -1.014 1.00 0.00 C ATOM 930 C MET A 57 8.836 -5.698 -1.586 1.00 0.00 C ATOM 931 O MET A 57 8.459 -4.587 -1.210 1.00 0.00 O ATOM 932 CB MET A 57 9.121 -7.559 0.076 1.00 0.00 C ATOM 933 CG MET A 57 9.720 -6.438 0.930 1.00 0.00 C ATOM 934 SD MET A 57 8.393 -5.380 1.564 1.00 0.00 S ATOM 935 CE MET A 57 7.482 -6.664 2.457 1.00 0.00 C ATOM 0 H MET A 57 8.434 -8.875 -1.861 1.00 0.00 H new ATOM 0 HA MET A 57 7.245 -6.717 -0.584 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.549 -8.240 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.919 -8.143 -0.382 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.288 -6.862 1.758 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.417 -5.847 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.977 -6.221 3.316 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.743 -7.114 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.176 -7.431 2.800 1.00 0.00 H new ATOM 945 N ALA A 58 9.785 -5.876 -2.499 1.00 0.00 N ATOM 946 CA ALA A 58 10.461 -4.745 -3.131 1.00 0.00 C ATOM 947 C ALA A 58 9.452 -3.834 -3.825 1.00 0.00 C ATOM 948 O ALA A 58 9.612 -2.610 -3.839 1.00 0.00 O ATOM 949 CB ALA A 58 11.484 -5.250 -4.151 1.00 0.00 C ATOM 0 H ALA A 58 10.104 -6.791 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 58 10.973 -4.175 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.983 -4.400 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.223 -5.873 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.976 -5.837 -4.916 1.00 0.00 H new ATOM 955 N THR A 59 8.408 -4.437 -4.390 1.00 0.00 N ATOM 956 CA THR A 59 7.377 -3.670 -5.076 1.00 0.00 C ATOM 957 C THR A 59 6.520 -2.917 -4.063 1.00 0.00 C ATOM 958 O THR A 59 6.085 -1.793 -4.320 1.00 0.00 O ATOM 959 CB THR A 59 6.495 -4.608 -5.903 1.00 0.00 C ATOM 960 OG1 THR A 59 7.316 -5.423 -6.728 1.00 0.00 O ATOM 961 CG2 THR A 59 5.545 -3.786 -6.780 1.00 0.00 C ATOM 0 H THR A 59 8.256 -5.446 -4.386 1.00 0.00 H new ATOM 0 HA THR A 59 7.857 -2.950 -5.739 1.00 0.00 H new ATOM 0 HB THR A 59 5.911 -5.238 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.068 -6.364 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.919 -4.458 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.914 -3.162 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.125 -3.152 -7.451 1.00 0.00 H new ATOM 969 N PHE A 60 6.290 -3.539 -2.907 1.00 0.00 N ATOM 970 CA PHE A 60 5.494 -2.913 -1.857 1.00 0.00 C ATOM 971 C PHE A 60 6.179 -1.638 -1.376 1.00 0.00 C ATOM 972 O PHE A 60 5.556 -0.579 -1.301 1.00 0.00 O ATOM 973 CB PHE A 60 5.311 -3.887 -0.686 1.00 0.00 C ATOM 974 CG PHE A 60 4.713 -3.163 0.498 1.00 0.00 C ATOM 975 CD1 PHE A 60 3.372 -2.760 0.470 1.00 0.00 C ATOM 976 CD2 PHE A 60 5.499 -2.895 1.626 1.00 0.00 C ATOM 977 CE1 PHE A 60 2.818 -2.092 1.568 1.00 0.00 C ATOM 978 CE2 PHE A 60 4.945 -2.228 2.723 1.00 0.00 C ATOM 979 CZ PHE A 60 3.606 -1.826 2.695 1.00 0.00 C ATOM 0 H PHE A 60 6.641 -4.468 -2.677 1.00 0.00 H new ATOM 0 HA PHE A 60 4.514 -2.658 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.663 -4.711 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.272 -4.322 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.765 -2.965 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.534 -3.204 1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.784 -1.782 1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.552 -2.023 3.593 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.179 -1.310 3.543 1.00 0.00 H new ATOM 989 N ASP A 61 7.470 -1.748 -1.063 1.00 0.00 N ATOM 990 CA ASP A 61 8.241 -0.598 -0.607 1.00 0.00 C ATOM 991 C ASP A 61 8.122 0.545 -1.608 1.00 0.00 C ATOM 992 O ASP A 61 7.913 1.698 -1.229 1.00 0.00 O ATOM 993 CB ASP A 61 9.712 -0.988 -0.445 1.00 0.00 C ATOM 994 CG ASP A 61 9.839 -2.254 0.403 1.00 0.00 C ATOM 995 OD1 ASP A 61 9.266 -2.285 1.480 1.00 0.00 O ATOM 996 OD2 ASP A 61 10.512 -3.172 -0.037 1.00 0.00 O ATOM 0 H ASP A 61 7.999 -2.618 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 61 7.847 -0.271 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.161 -1.153 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.261 -0.172 0.024 1.00 0.00 H new ATOM 1001 N GLU A 62 8.252 0.209 -2.892 1.00 0.00 N ATOM 1002 CA GLU A 62 8.156 1.208 -3.952 1.00 0.00 C ATOM 1003 C GLU A 62 6.759 1.821 -3.975 1.00 0.00 C ATOM 1004 O GLU A 62 6.608 3.040 -4.073 1.00 0.00 O ATOM 1005 CB GLU A 62 8.461 0.555 -5.306 1.00 0.00 C ATOM 1006 CG GLU A 62 8.139 1.529 -6.449 1.00 0.00 C ATOM 1007 CD GLU A 62 6.721 1.286 -6.968 1.00 0.00 C ATOM 1008 OE1 GLU A 62 6.497 0.244 -7.561 1.00 0.00 O ATOM 1009 OE2 GLU A 62 5.883 2.148 -6.767 1.00 0.00 O ATOM 0 H GLU A 62 8.423 -0.742 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 62 8.882 1.998 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.511 0.265 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.874 -0.356 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.234 2.557 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.857 1.401 -7.259 1.00 0.00 H new ATOM 1016 N ALA A 63 5.740 0.970 -3.880 1.00 0.00 N ATOM 1017 CA ALA A 63 4.363 1.447 -3.887 1.00 0.00 C ATOM 1018 C ALA A 63 4.135 2.386 -2.710 1.00 0.00 C ATOM 1019 O ALA A 63 3.573 3.469 -2.869 1.00 0.00 O ATOM 1020 CB ALA A 63 3.395 0.264 -3.803 1.00 0.00 C ATOM 0 H ALA A 63 5.841 -0.042 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 63 4.181 1.987 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.369 0.632 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.549 -0.394 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.576 -0.290 -2.882 1.00 0.00 H new ATOM 1026 N TRP A 64 4.592 1.967 -1.532 1.00 0.00 N ATOM 1027 CA TRP A 64 4.452 2.787 -0.336 1.00 0.00 C ATOM 1028 C TRP A 64 5.061 4.166 -0.569 1.00 0.00 C ATOM 1029 O TRP A 64 4.449 5.185 -0.249 1.00 0.00 O ATOM 1030 CB TRP A 64 5.138 2.111 0.857 1.00 0.00 C ATOM 1031 CG TRP A 64 4.582 2.673 2.127 1.00 0.00 C ATOM 1032 CD1 TRP A 64 5.090 3.732 2.797 1.00 0.00 C ATOM 1033 CD2 TRP A 64 3.419 2.231 2.885 1.00 0.00 C ATOM 1034 NE1 TRP A 64 4.313 3.969 3.916 1.00 0.00 N ATOM 1035 CE2 TRP A 64 3.272 3.069 4.017 1.00 0.00 C ATOM 1036 CE3 TRP A 64 2.488 1.194 2.704 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 2.237 2.884 4.934 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 1.446 1.004 3.625 1.00 0.00 C ATOM 1039 CH2 TRP A 64 1.320 1.848 4.738 1.00 0.00 C ATOM 0 H TRP A 64 5.058 1.072 -1.383 1.00 0.00 H new ATOM 0 HA TRP A 64 3.390 2.899 -0.116 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.978 1.033 0.821 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.215 2.275 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 64 5.961 4.300 2.506 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.488 4.718 4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.575 0.539 1.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.145 3.537 5.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.737 0.203 3.476 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.515 1.697 5.443 1.00 0.00 H new ATOM 1050 N ASP A 65 6.269 4.186 -1.135 1.00 0.00 N ATOM 1051 CA ASP A 65 6.956 5.445 -1.416 1.00 0.00 C ATOM 1052 C ASP A 65 6.056 6.377 -2.222 1.00 0.00 C ATOM 1053 O ASP A 65 6.044 7.587 -2.000 1.00 0.00 O ATOM 1054 CB ASP A 65 8.251 5.180 -2.188 1.00 0.00 C ATOM 1055 CG ASP A 65 9.009 6.489 -2.398 1.00 0.00 C ATOM 1056 OD1 ASP A 65 9.423 7.078 -1.412 1.00 0.00 O ATOM 1057 OD2 ASP A 65 9.162 6.885 -3.542 1.00 0.00 O ATOM 0 H ASP A 65 6.788 3.350 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 65 7.198 5.924 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.874 4.473 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.023 4.723 -3.151 1.00 0.00 H new ATOM 1062 N GLN A 66 5.303 5.803 -3.155 1.00 0.00 N ATOM 1063 CA GLN A 66 4.396 6.595 -3.979 1.00 0.00 C ATOM 1064 C GLN A 66 3.194 7.043 -3.153 1.00 0.00 C ATOM 1065 O GLN A 66 2.768 8.196 -3.233 1.00 0.00 O ATOM 1066 CB GLN A 66 3.919 5.774 -5.183 1.00 0.00 C ATOM 1067 CG GLN A 66 5.124 5.352 -6.031 1.00 0.00 C ATOM 1068 CD GLN A 66 5.487 6.457 -7.019 1.00 0.00 C ATOM 1069 OE1 GLN A 66 5.627 7.619 -6.632 1.00 0.00 O ATOM 1070 NE2 GLN A 66 5.652 6.163 -8.280 1.00 0.00 N ATOM 0 H GLN A 66 5.302 4.803 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 66 4.931 7.474 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.376 4.893 -4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.227 6.362 -5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.975 5.138 -5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.894 4.433 -6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.536 5.201 -8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.897 6.895 -8.947 1.00 0.00 H new ATOM 1079 N TYR A 67 2.658 6.119 -2.355 1.00 0.00 N ATOM 1080 CA TYR A 67 1.507 6.420 -1.509 1.00 0.00 C ATOM 1081 C TYR A 67 1.775 7.663 -0.663 1.00 0.00 C ATOM 1082 O TYR A 67 1.032 8.642 -0.731 1.00 0.00 O ATOM 1083 CB TYR A 67 1.202 5.226 -0.598 1.00 0.00 C ATOM 1084 CG TYR A 67 0.049 5.567 0.324 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -1.270 5.359 -0.098 1.00 0.00 C ATOM 1086 CD2 TYR A 67 0.301 6.092 1.598 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -2.336 5.676 0.754 1.00 0.00 C ATOM 1088 CE2 TYR A 67 -0.764 6.408 2.449 1.00 0.00 C ATOM 1089 CZ TYR A 67 -2.081 6.201 2.027 1.00 0.00 C ATOM 1090 OH TYR A 67 -3.130 6.513 2.868 1.00 0.00 O ATOM 0 H TYR A 67 3.001 5.162 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 67 0.646 6.613 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.953 4.352 -1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.084 4.969 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.465 4.954 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.318 6.253 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.353 5.516 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.569 6.812 3.432 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.779 6.865 3.712 1.00 0.00 H new ATOM 1100 N GLU A 68 2.842 7.613 0.133 1.00 0.00 N ATOM 1101 CA GLU A 68 3.201 8.742 0.987 1.00 0.00 C ATOM 1102 C GLU A 68 3.379 10.017 0.164 1.00 0.00 C ATOM 1103 O GLU A 68 2.862 11.068 0.519 1.00 0.00 O ATOM 1104 CB GLU A 68 4.493 8.435 1.756 1.00 0.00 C ATOM 1105 CG GLU A 68 5.619 8.097 0.773 1.00 0.00 C ATOM 1106 CD GLU A 68 6.863 7.641 1.529 1.00 0.00 C ATOM 1107 OE1 GLU A 68 6.843 6.541 2.055 1.00 0.00 O ATOM 1108 OE2 GLU A 68 7.819 8.399 1.570 1.00 0.00 O ATOM 0 H GLU A 68 3.467 6.810 0.204 1.00 0.00 H new ATOM 0 HA GLU A 68 2.389 8.900 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.776 9.293 2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.331 7.600 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.292 7.312 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.854 8.970 0.165 1.00 0.00 H new ATOM 1115 N SER A 69 4.113 9.914 -0.938 1.00 0.00 N ATOM 1116 CA SER A 69 4.362 11.066 -1.804 1.00 0.00 C ATOM 1117 C SER A 69 3.058 11.767 -2.184 1.00 0.00 C ATOM 1118 O SER A 69 3.046 12.967 -2.459 1.00 0.00 O ATOM 1119 CB SER A 69 5.087 10.613 -3.074 1.00 0.00 C ATOM 1120 OG SER A 69 5.112 11.682 -4.013 1.00 0.00 O ATOM 0 H SER A 69 4.547 9.047 -1.255 1.00 0.00 H new ATOM 0 HA SER A 69 4.984 11.773 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.104 10.302 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.582 9.748 -3.505 1.00 0.00 H new ATOM 0 HG SER A 69 5.577 11.393 -4.826 1.00 0.00 H new ATOM 1126 N GLU A 70 1.971 11.004 -2.213 1.00 0.00 N ATOM 1127 CA GLU A 70 0.667 11.545 -2.581 1.00 0.00 C ATOM 1128 C GLU A 70 -0.023 12.225 -1.396 1.00 0.00 C ATOM 1129 O GLU A 70 -0.452 13.375 -1.498 1.00 0.00 O ATOM 1130 CB GLU A 70 -0.227 10.421 -3.117 1.00 0.00 C ATOM 1131 CG GLU A 70 0.493 9.690 -4.257 1.00 0.00 C ATOM 1132 CD GLU A 70 -0.150 10.040 -5.596 1.00 0.00 C ATOM 1133 OE1 GLU A 70 0.193 11.076 -6.144 1.00 0.00 O ATOM 1134 OE2 GLU A 70 -0.975 9.267 -6.057 1.00 0.00 O ATOM 0 H GLU A 70 1.966 10.010 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 70 0.827 12.298 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.467 9.721 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.171 10.833 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.547 9.967 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.448 8.613 -4.094 1.00 0.00 H new ATOM 1141 N VAL A 71 -0.167 11.494 -0.296 1.00 0.00 N ATOM 1142 CA VAL A 71 -0.859 12.016 0.885 1.00 0.00 C ATOM 1143 C VAL A 71 0.076 12.779 1.833 1.00 0.00 C ATOM 1144 O VAL A 71 -0.392 13.492 2.722 1.00 0.00 O ATOM 1145 CB VAL A 71 -1.505 10.852 1.638 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -2.588 11.381 2.584 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -2.136 9.879 0.635 1.00 0.00 C ATOM 0 H VAL A 71 0.183 10.542 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.612 12.724 0.538 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.741 10.334 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.044 10.547 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.140 12.069 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.351 11.904 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.596 9.050 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.896 10.399 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.365 9.495 -0.033 1.00 0.00 H new ATOM 1157 N HIS A 72 1.384 12.634 1.651 1.00 0.00 N ATOM 1158 CA HIS A 72 2.343 13.326 2.516 1.00 0.00 C ATOM 1159 C HIS A 72 2.432 14.807 2.153 1.00 0.00 C ATOM 1160 O HIS A 72 3.222 15.552 2.737 1.00 0.00 O ATOM 1161 CB HIS A 72 3.729 12.679 2.400 1.00 0.00 C ATOM 1162 CG HIS A 72 4.658 13.269 3.427 1.00 0.00 C ATOM 1163 ND1 HIS A 72 4.287 13.435 4.752 1.00 0.00 N ATOM 1164 CD2 HIS A 72 5.949 13.732 3.338 1.00 0.00 C ATOM 1165 CE1 HIS A 72 5.334 13.976 5.402 1.00 0.00 C ATOM 1166 NE2 HIS A 72 6.373 14.177 4.587 1.00 0.00 N ATOM 0 H HIS A 72 1.804 12.054 0.925 1.00 0.00 H new ATOM 0 HA HIS A 72 1.993 13.240 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.650 11.602 2.545 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.131 12.838 1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.544 13.748 2.437 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.334 14.218 6.455 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.282 14.572 4.828 1.00 0.00 H new ATOM 1175 N GLY A 73 1.614 15.234 1.195 1.00 0.00 N ATOM 1176 CA GLY A 73 1.610 16.631 0.775 1.00 0.00 C ATOM 1177 C GLY A 73 0.827 17.491 1.762 1.00 0.00 C ATOM 1178 O GLY A 73 1.013 18.707 1.823 1.00 0.00 O ATOM 0 H GLY A 73 0.951 14.638 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.634 16.996 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.169 16.716 -0.218 1.00 0.00 H new ATOM 1182 N ARG A 74 -0.047 16.849 2.535 1.00 0.00 N ATOM 1183 CA ARG A 74 -0.854 17.556 3.519 1.00 0.00 C ATOM 1184 C ARG A 74 -0.081 17.764 4.811 1.00 0.00 C ATOM 1185 O ARG A 74 1.072 18.198 4.797 1.00 0.00 O ATOM 1186 CB ARG A 74 -2.128 16.768 3.811 1.00 0.00 C ATOM 1187 CG ARG A 74 -2.749 16.271 2.501 1.00 0.00 C ATOM 1188 CD ARG A 74 -4.272 16.222 2.640 1.00 0.00 C ATOM 1189 NE ARG A 74 -4.879 15.770 1.391 1.00 0.00 N ATOM 1190 CZ ARG A 74 -6.117 16.127 1.049 1.00 0.00 C ATOM 1191 NH1 ARG A 74 -6.817 16.903 1.831 1.00 0.00 N ATOM 1192 NH2 ARG A 74 -6.629 15.700 -0.072 1.00 0.00 N ATOM 0 H ARG A 74 -0.212 15.843 2.497 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.111 18.532 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.901 15.922 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.840 17.397 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.470 16.932 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.364 15.281 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.549 15.549 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.652 17.210 2.901 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.343 15.167 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.417 17.238 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.764 17.174 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.082 15.095 -0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.576 15.972 -0.336 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.742 17.472 5.925 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.138 17.644 7.239 1.00 0.00 C ATOM 1208 C LEU A 75 0.226 19.111 7.416 1.00 0.00 C ATOM 1209 O LEU A 75 1.273 19.452 7.967 1.00 0.00 O ATOM 1210 CB LEU A 75 1.111 16.757 7.382 1.00 0.00 C ATOM 1211 CG LEU A 75 0.709 15.349 7.848 1.00 0.00 C ATOM 1212 CD1 LEU A 75 0.032 15.427 9.221 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -0.260 14.724 6.836 1.00 0.00 C ATOM 0 H LEU A 75 -1.697 17.115 5.944 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.847 17.344 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.635 16.697 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.802 17.202 8.098 1.00 0.00 H new ATOM 0 HG LEU A 75 1.604 14.732 7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.250 14.425 9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.723 15.861 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.859 16.051 9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.542 13.726 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.152 15.345 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.225 14.656 5.862 1.00 0.00 H new ATOM 1225 N GLU A 76 -0.655 19.974 6.912 1.00 0.00 N ATOM 1226 CA GLU A 76 -0.443 21.412 6.976 1.00 0.00 C ATOM 1227 C GLU A 76 -0.617 21.944 8.401 1.00 0.00 C ATOM 1228 O GLU A 76 -0.910 23.124 8.599 1.00 0.00 O ATOM 1229 CB GLU A 76 -1.425 22.126 6.038 1.00 0.00 C ATOM 1230 CG GLU A 76 -1.398 21.460 4.658 1.00 0.00 C ATOM 1231 CD GLU A 76 -2.001 22.396 3.614 1.00 0.00 C ATOM 1232 OE1 GLU A 76 -3.207 22.350 3.431 1.00 0.00 O ATOM 1233 OE2 GLU A 76 -1.248 23.144 3.012 1.00 0.00 O ATOM 0 H GLU A 76 -1.524 19.697 6.454 1.00 0.00 H new ATOM 0 HA GLU A 76 0.582 21.612 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.433 22.086 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.158 23.179 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.372 21.211 4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.957 20.525 4.686 1.00 0.00 H new ATOM 1240 N HIS A 77 -0.436 21.068 9.388 1.00 0.00 N ATOM 1241 CA HIS A 77 -0.575 21.459 10.790 1.00 0.00 C ATOM 1242 C HIS A 77 0.500 20.788 11.643 1.00 0.00 C ATOM 1243 O HIS A 77 0.451 20.834 12.873 1.00 0.00 O ATOM 1244 CB HIS A 77 -1.965 21.069 11.308 1.00 0.00 C ATOM 1245 CG HIS A 77 -2.322 19.692 10.818 1.00 0.00 C ATOM 1246 ND1 HIS A 77 -3.211 19.487 9.774 1.00 0.00 N ATOM 1247 CD2 HIS A 77 -1.923 18.441 11.220 1.00 0.00 C ATOM 1248 CE1 HIS A 77 -3.316 18.160 9.585 1.00 0.00 C ATOM 1249 NE2 HIS A 77 -2.551 17.475 10.440 1.00 0.00 N ATOM 0 H HIS A 77 -0.194 20.088 9.244 1.00 0.00 H new ATOM 0 HA HIS A 77 -0.454 22.540 10.861 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.977 21.092 12.398 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.707 21.791 10.966 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.697 20.211 9.245 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.227 18.238 12.020 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.943 17.703 8.833 1.00 0.00 H new ATOM 1258 N HIS A 78 1.471 20.167 10.977 1.00 0.00 N ATOM 1259 CA HIS A 78 2.561 19.488 11.674 1.00 0.00 C ATOM 1260 C HIS A 78 3.481 20.497 12.356 1.00 0.00 C ATOM 1261 O HIS A 78 3.601 21.641 11.914 1.00 0.00 O ATOM 1262 CB HIS A 78 3.368 18.639 10.683 1.00 0.00 C ATOM 1263 CG HIS A 78 3.848 19.492 9.534 1.00 0.00 C ATOM 1264 ND1 HIS A 78 3.466 20.817 9.378 1.00 0.00 N ATOM 1265 CD2 HIS A 78 4.685 19.220 8.480 1.00 0.00 C ATOM 1266 CE1 HIS A 78 4.065 21.286 8.270 1.00 0.00 C ATOM 1267 NE2 HIS A 78 4.820 20.354 7.683 1.00 0.00 N ATOM 0 H HIS A 78 1.526 20.120 9.960 1.00 0.00 H new ATOM 0 HA HIS A 78 2.129 18.841 12.438 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.220 18.187 11.190 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.752 17.823 10.306 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.166 18.270 8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.950 22.294 7.900 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.376 20.452 6.833 1.00 0.00 H new ATOM 1276 N HIS A 79 4.131 20.062 13.434 1.00 0.00 N ATOM 1277 CA HIS A 79 5.043 20.930 14.174 1.00 0.00 C ATOM 1278 C HIS A 79 6.069 20.097 14.941 1.00 0.00 C ATOM 1279 O HIS A 79 5.784 18.970 15.349 1.00 0.00 O ATOM 1280 CB HIS A 79 4.256 21.812 15.151 1.00 0.00 C ATOM 1281 CG HIS A 79 3.727 20.975 16.285 1.00 0.00 C ATOM 1282 ND1 HIS A 79 4.516 20.612 17.365 1.00 0.00 N ATOM 1283 CD2 HIS A 79 2.492 20.422 16.521 1.00 0.00 C ATOM 1284 CE1 HIS A 79 3.755 19.873 18.194 1.00 0.00 C ATOM 1285 NE2 HIS A 79 2.512 19.726 17.727 1.00 0.00 N ATOM 0 H HIS A 79 4.043 19.119 13.812 1.00 0.00 H new ATOM 0 HA HIS A 79 5.568 21.566 13.461 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.898 22.602 15.540 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.431 22.299 14.631 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.635 20.513 15.870 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.107 19.450 19.124 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.743 19.214 18.160 1.00 0.00 H new ATOM 1294 N HIS A 80 7.262 20.666 15.130 1.00 0.00 N ATOM 1295 CA HIS A 80 8.338 19.981 15.848 1.00 0.00 C ATOM 1296 C HIS A 80 8.738 18.689 15.133 1.00 0.00 C ATOM 1297 O HIS A 80 8.005 18.181 14.283 1.00 0.00 O ATOM 1298 CB HIS A 80 7.897 19.668 17.285 1.00 0.00 C ATOM 1299 CG HIS A 80 9.073 19.161 18.080 1.00 0.00 C ATOM 1300 ND1 HIS A 80 9.050 17.939 18.736 1.00 0.00 N ATOM 1301 CD2 HIS A 80 10.312 19.698 18.332 1.00 0.00 C ATOM 1302 CE1 HIS A 80 10.241 17.784 19.344 1.00 0.00 C ATOM 1303 NE2 HIS A 80 11.046 18.827 19.130 1.00 0.00 N ATOM 0 H HIS A 80 7.506 21.598 14.796 1.00 0.00 H new ATOM 0 HA HIS A 80 9.204 20.642 15.873 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.489 20.564 17.753 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.103 18.922 17.277 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.663 20.652 17.966 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.512 16.921 19.933 1.00 0.00 H new ATOM 0 HE2 HIS A 80 11.996 18.957 19.477 1.00 0.00 H new ATOM 1312 N HIS A 81 9.908 18.164 15.486 1.00 0.00 N ATOM 1313 CA HIS A 81 10.401 16.932 14.880 1.00 0.00 C ATOM 1314 C HIS A 81 9.733 15.721 15.529 1.00 0.00 C ATOM 1315 O HIS A 81 10.388 14.926 16.205 1.00 0.00 O ATOM 1316 CB HIS A 81 11.922 16.841 15.049 1.00 0.00 C ATOM 1317 CG HIS A 81 12.595 17.888 14.201 1.00 0.00 C ATOM 1318 ND1 HIS A 81 13.946 17.826 13.895 1.00 0.00 N ATOM 1319 CD2 HIS A 81 12.125 19.025 13.589 1.00 0.00 C ATOM 1320 CE1 HIS A 81 14.239 18.895 13.131 1.00 0.00 C ATOM 1321 NE2 HIS A 81 13.165 19.658 12.914 1.00 0.00 N ATOM 0 H HIS A 81 10.529 18.570 16.185 1.00 0.00 H new ATOM 0 HA HIS A 81 10.158 16.940 13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 81 12.189 16.982 16.096 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.270 15.849 14.762 1.00 0.00 H new ATOM 0 HD2 HIS A 81 11.104 19.374 13.626 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.223 19.109 12.741 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.117 20.520 12.370 1.00 0.00 H new ATOM 1330 N HIS A 82 8.422 15.595 15.320 1.00 0.00 N ATOM 1331 CA HIS A 82 7.660 14.484 15.888 1.00 0.00 C ATOM 1332 C HIS A 82 7.799 14.463 17.414 1.00 0.00 C ATOM 1333 O HIS A 82 8.584 13.673 17.918 1.00 0.00 O ATOM 1334 CB HIS A 82 8.136 13.157 15.281 1.00 0.00 C ATOM 1335 CG HIS A 82 7.199 12.051 15.685 1.00 0.00 C ATOM 1336 ND1 HIS A 82 5.820 12.205 15.664 1.00 0.00 N ATOM 1337 CD2 HIS A 82 7.427 10.771 16.123 1.00 0.00 C ATOM 1338 CE1 HIS A 82 5.278 11.046 16.079 1.00 0.00 C ATOM 1339 NE2 HIS A 82 6.213 10.138 16.371 1.00 0.00 N ATOM 1340 OXT HIS A 82 7.121 15.247 18.058 1.00 0.00 O ATOM 0 H HIS A 82 7.868 16.246 14.764 1.00 0.00 H new ATOM 0 HA HIS A 82 6.606 14.619 15.646 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.174 13.236 14.195 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.147 12.932 15.620 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.401 10.323 16.255 1.00 0.00 H new ATOM 0 HE1 HIS A 82 4.216 10.871 16.166 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.068 9.185 16.704 1.00 0.00 H new TER 1349 HIS A 82