USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 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 59 THR OG1 : rot 110:sc= -2.61! USER MOD Set 1.2: A 62 CYS SG : rot 118:sc= -0.427 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 44:sc= 0.571 USER MOD Single : A 7 GLN : amide:sc= -5.15! C(o=-5.1!,f=-6.4!) USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= -1.81 (180deg=-4!) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0577 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.755 K(o=-0.76,f=-1.8) USER MOD Single : A 18 SER OG : rot 180:sc= 0.101 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 145:sc= -0.716 USER MOD Single : A 30 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.7!) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.0158 (180deg=-0.0807) USER MOD Single : A 37 CYS SG : rot 180:sc= -2.86! USER MOD Single : A 41 GLN : amide:sc= -0.857 X(o=-0.86,f=-0.45) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -59:sc= -4.78! USER MOD Single : A 50 CYS SG : rot -150:sc= -1.01 USER MOD Single : A 52 TYR OH : rot -121:sc= 1.09 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 68 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.048) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 63:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 97.692 -8.100 1.121 1.00 0.00 N ATOM 2 CA MET A 1 96.279 -8.127 1.597 1.00 0.00 C ATOM 3 C MET A 1 95.356 -8.628 0.482 1.00 0.00 C ATOM 4 O MET A 1 95.805 -9.148 -0.520 1.00 0.00 O ATOM 5 CB MET A 1 95.954 -6.677 1.951 1.00 0.00 C ATOM 6 CG MET A 1 95.698 -6.562 3.455 1.00 0.00 C ATOM 7 SD MET A 1 94.705 -5.084 3.789 1.00 0.00 S ATOM 8 CE MET A 1 93.082 -5.884 3.744 1.00 0.00 C ATOM 0 H1 MET A 1 98.309 -7.759 1.885 1.00 0.00 H new ATOM 0 H2 MET A 1 97.983 -9.059 0.843 1.00 0.00 H new ATOM 0 H3 MET A 1 97.770 -7.463 0.302 1.00 0.00 H new ATOM 0 HA MET A 1 96.141 -8.795 2.447 1.00 0.00 H new ATOM 0 HB2 MET A 1 96.780 -6.027 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.077 -6.344 1.396 1.00 0.00 H new ATOM 0 HG2 MET A 1 95.179 -7.450 3.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.645 -6.506 3.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.305 -5.142 3.929 1.00 0.00 H new ATOM 0 HE2 MET A 1 92.926 -6.336 2.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.036 -6.657 4.511 1.00 0.00 H new ATOM 18 N CYS A 2 94.071 -8.475 0.648 1.00 0.00 N ATOM 19 CA CYS A 2 93.124 -8.941 -0.401 1.00 0.00 C ATOM 20 C CYS A 2 91.681 -8.644 0.015 1.00 0.00 C ATOM 21 O CYS A 2 91.108 -9.329 0.839 1.00 0.00 O ATOM 22 CB CYS A 2 93.354 -10.449 -0.502 1.00 0.00 C ATOM 23 SG CYS A 2 93.105 -11.208 1.122 1.00 0.00 S ATOM 0 H CYS A 2 93.637 -8.047 1.466 1.00 0.00 H new ATOM 0 HA CYS A 2 93.287 -8.439 -1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 2 92.667 -10.884 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 2 94.364 -10.650 -0.858 1.00 0.00 H new ATOM 0 HG CYS A 2 92.037 -10.713 1.673 1.00 0.00 H new ATOM 29 N ALA A 3 91.090 -7.625 -0.549 1.00 0.00 N ATOM 30 CA ALA A 3 89.686 -7.281 -0.186 1.00 0.00 C ATOM 31 C ALA A 3 89.237 -6.025 -0.936 1.00 0.00 C ATOM 32 O ALA A 3 88.932 -5.011 -0.341 1.00 0.00 O ATOM 33 CB ALA A 3 89.716 -7.021 1.320 1.00 0.00 C ATOM 0 H ALA A 3 91.519 -7.016 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 3 88.988 -8.075 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 3 88.715 -6.761 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 3 90.056 -7.918 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 3 90.399 -6.198 1.534 1.00 0.00 H new ATOM 39 N VAL A 4 89.197 -6.082 -2.239 1.00 0.00 N ATOM 40 CA VAL A 4 88.768 -4.889 -3.025 1.00 0.00 C ATOM 41 C VAL A 4 87.338 -5.080 -3.536 1.00 0.00 C ATOM 42 O VAL A 4 86.854 -6.187 -3.655 1.00 0.00 O ATOM 43 CB VAL A 4 89.750 -4.810 -4.194 1.00 0.00 C ATOM 44 CG1 VAL A 4 89.641 -3.437 -4.860 1.00 0.00 C ATOM 45 CG2 VAL A 4 91.175 -5.015 -3.679 1.00 0.00 C ATOM 0 H VAL A 4 89.442 -6.902 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 4 88.773 -3.977 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 4 89.512 -5.587 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 4 90.341 -3.380 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 4 88.626 -3.291 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 4 89.879 -2.660 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 4 91.875 -4.959 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 4 91.414 -4.239 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 4 91.253 -5.993 -3.205 1.00 0.00 H new ATOM 55 N LEU A 5 86.659 -4.007 -3.834 1.00 0.00 N ATOM 56 CA LEU A 5 85.259 -4.126 -4.336 1.00 0.00 C ATOM 57 C LEU A 5 85.064 -3.248 -5.574 1.00 0.00 C ATOM 58 O LEU A 5 85.951 -2.524 -5.980 1.00 0.00 O ATOM 59 CB LEU A 5 84.384 -3.624 -3.185 1.00 0.00 C ATOM 60 CG LEU A 5 83.836 -4.815 -2.397 1.00 0.00 C ATOM 61 CD1 LEU A 5 82.844 -4.313 -1.345 1.00 0.00 C ATOM 62 CD2 LEU A 5 83.121 -5.775 -3.352 1.00 0.00 C ATOM 0 H LEU A 5 87.012 -3.053 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 5 85.010 -5.147 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 5 84.966 -2.978 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 5 83.562 -3.024 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 5 84.658 -5.336 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 5 82.452 -5.160 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 5 83.350 -3.628 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 5 82.023 -3.793 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 5 82.731 -6.624 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.298 -5.255 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 5 83.825 -6.131 -4.104 1.00 0.00 H new ATOM 74 N ARG A 6 83.906 -3.302 -6.170 1.00 0.00 N ATOM 75 CA ARG A 6 83.650 -2.467 -7.376 1.00 0.00 C ATOM 76 C ARG A 6 83.206 -1.067 -6.945 1.00 0.00 C ATOM 77 O ARG A 6 82.131 -0.614 -7.279 1.00 0.00 O ATOM 78 CB ARG A 6 82.526 -3.182 -8.127 1.00 0.00 C ATOM 79 CG ARG A 6 83.061 -4.485 -8.724 1.00 0.00 C ATOM 80 CD ARG A 6 83.766 -4.187 -10.049 1.00 0.00 C ATOM 81 NE ARG A 6 84.282 -5.505 -10.512 1.00 0.00 N ATOM 82 CZ ARG A 6 84.354 -5.767 -11.788 1.00 0.00 C ATOM 83 NH1 ARG A 6 84.385 -4.791 -12.653 1.00 0.00 N ATOM 84 NH2 ARG A 6 84.398 -7.005 -12.198 1.00 0.00 N ATOM 0 H ARG A 6 83.126 -3.888 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 6 84.536 -2.349 -8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 6 81.698 -3.392 -7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 6 82.136 -2.540 -8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 6 83.755 -4.958 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 6 82.243 -5.187 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 6 83.077 -3.755 -10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 6 84.576 -3.471 -9.913 1.00 0.00 H new ATOM 0 HE ARG A 6 84.579 -6.204 -9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 6 84.353 -3.823 -12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 6 84.441 -4.995 -13.651 1.00 0.00 H new ATOM 0 HH21 ARG A 6 84.376 -7.768 -11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 6 84.454 -7.210 -13.196 1.00 0.00 H new ATOM 98 N GLN A 7 84.031 -0.389 -6.194 1.00 0.00 N ATOM 99 CA GLN A 7 83.672 0.983 -5.723 1.00 0.00 C ATOM 100 C GLN A 7 82.550 0.903 -4.685 1.00 0.00 C ATOM 101 O GLN A 7 81.821 -0.068 -4.632 1.00 0.00 O ATOM 102 CB GLN A 7 83.200 1.740 -6.969 1.00 0.00 C ATOM 103 CG GLN A 7 84.098 1.393 -8.160 1.00 0.00 C ATOM 104 CD GLN A 7 83.289 0.622 -9.205 1.00 0.00 C ATOM 105 OE1 GLN A 7 82.125 0.900 -9.415 1.00 0.00 O ATOM 106 NE2 GLN A 7 83.861 -0.344 -9.873 1.00 0.00 N ATOM 0 H GLN A 7 84.942 -0.726 -5.884 1.00 0.00 H new ATOM 0 HA GLN A 7 84.516 1.485 -5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 7 82.166 1.479 -7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 7 83.225 2.814 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.504 2.304 -8.600 1.00 0.00 H new ATOM 0 HG3 GLN A 7 84.946 0.794 -7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 7 84.838 -0.577 -9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 7 83.330 -0.865 -10.571 1.00 0.00 H new ATOM 115 N PRO A 8 82.450 1.933 -3.891 1.00 0.00 N ATOM 116 CA PRO A 8 81.406 1.985 -2.838 1.00 0.00 C ATOM 117 C PRO A 8 80.026 2.189 -3.465 1.00 0.00 C ATOM 118 O PRO A 8 79.811 3.100 -4.240 1.00 0.00 O ATOM 119 CB PRO A 8 81.808 3.192 -1.994 1.00 0.00 C ATOM 120 CG PRO A 8 82.612 4.055 -2.913 1.00 0.00 C ATOM 121 CD PRO A 8 83.289 3.137 -3.898 1.00 0.00 C ATOM 0 HA PRO A 8 81.339 1.068 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 8 80.932 3.722 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.392 2.889 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.972 4.770 -3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.349 4.632 -2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.339 3.583 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.312 2.913 -3.597 1.00 0.00 H new ATOM 129 N LYS A 9 79.086 1.344 -3.136 1.00 0.00 N ATOM 130 CA LYS A 9 77.719 1.486 -3.715 1.00 0.00 C ATOM 131 C LYS A 9 76.939 2.571 -2.969 1.00 0.00 C ATOM 132 O LYS A 9 77.187 2.843 -1.812 1.00 0.00 O ATOM 133 CB LYS A 9 77.062 0.121 -3.514 1.00 0.00 C ATOM 134 CG LYS A 9 76.710 -0.484 -4.875 1.00 0.00 C ATOM 135 CD LYS A 9 75.191 -0.471 -5.062 1.00 0.00 C ATOM 136 CE LYS A 9 74.526 -1.269 -3.936 1.00 0.00 C ATOM 137 NZ LYS A 9 75.357 -2.496 -3.789 1.00 0.00 N ATOM 0 H LYS A 9 79.206 0.562 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 9 77.743 1.777 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.737 -0.543 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.163 0.225 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 9 77.190 0.083 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 9 77.086 -1.505 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 9 74.823 0.555 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 9 74.930 -0.901 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 9 74.500 -0.697 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 9 73.495 -1.519 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 74.800 -3.238 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 75.654 -2.829 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.198 -2.279 -3.217 1.00 0.00 H new ATOM 151 N CYS A 10 75.997 3.192 -3.624 1.00 0.00 N ATOM 152 CA CYS A 10 75.202 4.258 -2.950 1.00 0.00 C ATOM 153 C CYS A 10 73.714 3.899 -2.970 1.00 0.00 C ATOM 154 O CYS A 10 73.201 3.383 -3.945 1.00 0.00 O ATOM 155 CB CYS A 10 75.461 5.523 -3.769 1.00 0.00 C ATOM 156 SG CYS A 10 77.240 5.720 -4.030 1.00 0.00 S ATOM 0 H CYS A 10 75.743 3.008 -4.595 1.00 0.00 H new ATOM 0 HA CYS A 10 75.483 4.386 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 10 74.947 5.460 -4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.060 6.394 -3.250 1.00 0.00 H new ATOM 0 HG CYS A 10 77.460 6.794 -4.728 1.00 0.00 H new ATOM 162 N VAL A 11 73.016 4.165 -1.900 1.00 0.00 N ATOM 163 CA VAL A 11 71.563 3.837 -1.856 1.00 0.00 C ATOM 164 C VAL A 11 70.771 5.015 -1.281 1.00 0.00 C ATOM 165 O VAL A 11 71.165 5.619 -0.303 1.00 0.00 O ATOM 166 CB VAL A 11 71.458 2.629 -0.925 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.479 1.565 -1.339 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.743 3.084 0.508 1.00 0.00 C ATOM 0 H VAL A 11 73.389 4.595 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 11 71.159 3.630 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 11 70.457 2.202 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.400 0.706 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.280 1.249 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.484 1.982 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.671 2.230 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.746 3.506 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.015 3.840 0.801 1.00 0.00 H new ATOM 178 N LYS A 12 69.655 5.340 -1.872 1.00 0.00 N ATOM 179 CA LYS A 12 68.840 6.471 -1.346 1.00 0.00 C ATOM 180 C LYS A 12 67.709 5.928 -0.468 1.00 0.00 C ATOM 181 O LYS A 12 66.644 5.596 -0.947 1.00 0.00 O ATOM 182 CB LYS A 12 68.278 7.169 -2.586 1.00 0.00 C ATOM 183 CG LYS A 12 69.432 7.669 -3.457 1.00 0.00 C ATOM 184 CD LYS A 12 70.226 8.729 -2.694 1.00 0.00 C ATOM 185 CE LYS A 12 70.054 10.087 -3.378 1.00 0.00 C ATOM 186 NZ LYS A 12 71.439 10.541 -3.684 1.00 0.00 N ATOM 0 H LYS A 12 69.273 4.873 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 12 69.423 7.156 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.653 6.479 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.643 8.004 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.083 6.838 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.045 8.088 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 12 69.881 8.784 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 12 71.281 8.456 -2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.458 9.999 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 12 69.541 10.795 -2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.404 11.468 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 71.981 10.622 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 71.900 9.851 -4.311 1.00 0.00 H new ATOM 200 N LEU A 13 67.940 5.824 0.813 1.00 0.00 N ATOM 201 CA LEU A 13 66.882 5.290 1.718 1.00 0.00 C ATOM 202 C LEU A 13 65.772 6.324 1.917 1.00 0.00 C ATOM 203 O LEU A 13 65.849 7.180 2.777 1.00 0.00 O ATOM 204 CB LEU A 13 67.594 5.000 3.040 1.00 0.00 C ATOM 205 CG LEU A 13 67.405 3.526 3.403 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.744 2.795 3.294 1.00 0.00 C ATOM 207 CD2 LEU A 13 66.882 3.416 4.837 1.00 0.00 C ATOM 0 H LEU A 13 68.813 6.085 1.271 1.00 0.00 H new ATOM 0 HA LEU A 13 66.407 4.398 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.656 5.232 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.193 5.635 3.830 1.00 0.00 H new ATOM 0 HG LEU A 13 66.688 3.075 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.607 1.745 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 13 69.118 2.871 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.462 3.247 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 13 66.747 2.366 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.599 3.869 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 13 65.927 3.935 4.917 1.00 0.00 H new ATOM 219 N ARG A 14 64.736 6.242 1.130 1.00 0.00 N ATOM 220 CA ARG A 14 63.608 7.205 1.266 1.00 0.00 C ATOM 221 C ARG A 14 62.588 6.664 2.271 1.00 0.00 C ATOM 222 O ARG A 14 62.535 5.481 2.531 1.00 0.00 O ATOM 223 CB ARG A 14 63.007 7.291 -0.142 1.00 0.00 C ATOM 224 CG ARG A 14 61.562 7.791 -0.071 1.00 0.00 C ATOM 225 CD ARG A 14 61.548 9.258 0.357 1.00 0.00 C ATOM 226 NE ARG A 14 60.209 9.464 0.974 1.00 0.00 N ATOM 227 CZ ARG A 14 59.517 10.533 0.690 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.126 11.615 0.285 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.219 10.523 0.811 1.00 0.00 N ATOM 0 H ARG A 14 64.622 5.545 0.394 1.00 0.00 H new ATOM 0 HA ARG A 14 63.920 8.183 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.602 7.964 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.037 6.311 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.080 7.680 -1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 14 60.993 7.189 0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.347 9.470 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.696 9.920 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 14 59.832 8.769 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.142 11.624 0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.586 12.451 0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.743 9.679 1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.680 11.360 0.589 1.00 0.00 H new ATOM 243 N ALA A 15 61.784 7.515 2.843 1.00 0.00 N ATOM 244 CA ALA A 15 60.780 7.023 3.832 1.00 0.00 C ATOM 245 C ALA A 15 59.434 7.725 3.630 1.00 0.00 C ATOM 246 O ALA A 15 59.370 8.924 3.447 1.00 0.00 O ATOM 247 CB ALA A 15 61.367 7.371 5.199 1.00 0.00 C ATOM 0 H ALA A 15 61.776 8.521 2.672 1.00 0.00 H new ATOM 0 HA ALA A 15 60.593 5.954 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.685 7.040 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.328 6.872 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.507 8.450 5.271 1.00 0.00 H new ATOM 253 N LEU A 16 58.359 6.985 3.664 1.00 0.00 N ATOM 254 CA LEU A 16 57.017 7.607 3.478 1.00 0.00 C ATOM 255 C LEU A 16 56.597 8.349 4.749 1.00 0.00 C ATOM 256 O LEU A 16 55.793 9.260 4.712 1.00 0.00 O ATOM 257 CB LEU A 16 56.073 6.436 3.207 1.00 0.00 C ATOM 258 CG LEU A 16 55.537 6.535 1.779 1.00 0.00 C ATOM 259 CD1 LEU A 16 54.994 5.175 1.340 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.414 7.573 1.731 1.00 0.00 C ATOM 0 H LEU A 16 58.352 5.976 3.813 1.00 0.00 H new ATOM 0 HA LEU A 16 57.009 8.335 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.599 5.491 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.247 6.448 3.919 1.00 0.00 H new ATOM 0 HG LEU A 16 56.342 6.836 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.612 5.247 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.794 4.435 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.189 4.872 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.029 7.646 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.610 7.271 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.801 8.543 2.043 1.00 0.00 H new ATOM 272 N HIS A 17 57.133 7.963 5.875 1.00 0.00 N ATOM 273 CA HIS A 17 56.764 8.643 7.150 1.00 0.00 C ATOM 274 C HIS A 17 57.559 9.941 7.305 1.00 0.00 C ATOM 275 O HIS A 17 57.523 10.584 8.336 1.00 0.00 O ATOM 276 CB HIS A 17 57.138 7.648 8.249 1.00 0.00 C ATOM 277 CG HIS A 17 55.953 7.424 9.149 1.00 0.00 C ATOM 278 ND1 HIS A 17 54.658 7.345 8.661 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.853 7.258 10.507 1.00 0.00 C ATOM 280 CE1 HIS A 17 53.841 7.142 9.711 1.00 0.00 C ATOM 281 NE2 HIS A 17 54.519 7.081 10.861 1.00 0.00 N ATOM 0 H HIS A 17 57.811 7.206 5.967 1.00 0.00 H new ATOM 0 HA HIS A 17 55.708 8.913 7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 17 57.455 6.704 7.807 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.980 8.028 8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 17 56.684 7.264 11.197 1.00 0.00 H new ATOM 0 HE1 HIS A 17 52.769 7.041 9.634 1.00 0.00 H new ATOM 0 HE2 HIS A 17 54.140 6.936 11.797 1.00 0.00 H new ATOM 289 N SER A 18 58.276 10.332 6.288 1.00 0.00 N ATOM 290 CA SER A 18 59.074 11.589 6.376 1.00 0.00 C ATOM 291 C SER A 18 58.959 12.379 5.069 1.00 0.00 C ATOM 292 O SER A 18 58.098 12.122 4.252 1.00 0.00 O ATOM 293 CB SER A 18 60.514 11.130 6.600 1.00 0.00 C ATOM 294 OG SER A 18 61.337 12.264 6.841 1.00 0.00 O ATOM 0 H SER A 18 58.344 9.836 5.399 1.00 0.00 H new ATOM 0 HA SER A 18 58.727 12.244 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.562 10.445 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.874 10.584 5.728 1.00 0.00 H new ATOM 0 HG SER A 18 62.261 11.972 6.987 1.00 0.00 H new ATOM 300 N ALA A 19 59.822 13.336 4.865 1.00 0.00 N ATOM 301 CA ALA A 19 59.758 14.139 3.610 1.00 0.00 C ATOM 302 C ALA A 19 61.101 14.081 2.879 1.00 0.00 C ATOM 303 O ALA A 19 61.437 14.960 2.108 1.00 0.00 O ATOM 304 CB ALA A 19 59.455 15.566 4.068 1.00 0.00 C ATOM 0 H ALA A 19 60.567 13.597 5.511 1.00 0.00 H new ATOM 0 HA ALA A 19 59.004 13.766 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.392 16.221 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.506 15.582 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 19 60.251 15.913 4.727 1.00 0.00 H new ATOM 310 N CYS A 20 61.875 13.055 3.111 1.00 0.00 N ATOM 311 CA CYS A 20 63.195 12.952 2.426 1.00 0.00 C ATOM 312 C CYS A 20 63.711 11.509 2.464 1.00 0.00 C ATOM 313 O CYS A 20 62.972 10.575 2.718 1.00 0.00 O ATOM 314 CB CYS A 20 64.124 13.873 3.216 1.00 0.00 C ATOM 315 SG CYS A 20 64.962 15.004 2.079 1.00 0.00 S ATOM 0 H CYS A 20 61.651 12.286 3.743 1.00 0.00 H new ATOM 0 HA CYS A 20 63.133 13.235 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.553 14.438 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.858 13.283 3.765 1.00 0.00 H new ATOM 0 HG CYS A 20 65.751 15.789 2.751 1.00 0.00 H new ATOM 321 N LYS A 21 64.979 11.326 2.208 1.00 0.00 N ATOM 322 CA LYS A 21 65.554 9.951 2.222 1.00 0.00 C ATOM 323 C LYS A 21 66.945 9.967 2.860 1.00 0.00 C ATOM 324 O LYS A 21 67.313 10.899 3.548 1.00 0.00 O ATOM 325 CB LYS A 21 65.645 9.549 0.751 1.00 0.00 C ATOM 326 CG LYS A 21 66.730 10.378 0.062 1.00 0.00 C ATOM 327 CD LYS A 21 66.131 11.100 -1.146 1.00 0.00 C ATOM 328 CE LYS A 21 66.360 10.262 -2.407 1.00 0.00 C ATOM 329 NZ LYS A 21 65.992 11.152 -3.546 1.00 0.00 N ATOM 0 H LYS A 21 65.641 12.070 1.990 1.00 0.00 H new ATOM 0 HA LYS A 21 64.948 9.254 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.875 8.487 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.685 9.707 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 21 67.148 11.102 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.549 9.732 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 21 65.064 11.263 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.590 12.082 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 21 67.398 9.939 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.746 9.362 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 66.125 10.642 -4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 64.996 11.438 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 66.598 11.997 -3.536 1.00 0.00 H new ATOM 343 N PHE A 22 67.722 8.944 2.635 1.00 0.00 N ATOM 344 CA PHE A 22 69.090 8.904 3.228 1.00 0.00 C ATOM 345 C PHE A 22 70.095 8.368 2.207 1.00 0.00 C ATOM 346 O PHE A 22 70.479 7.216 2.246 1.00 0.00 O ATOM 347 CB PHE A 22 68.982 7.953 4.420 1.00 0.00 C ATOM 348 CG PHE A 22 70.344 7.795 5.054 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.248 8.864 5.046 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.705 6.579 5.646 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.511 8.719 5.631 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.970 6.433 6.231 1.00 0.00 C ATOM 353 CZ PHE A 22 72.871 7.504 6.223 1.00 0.00 C ATOM 0 H PHE A 22 67.470 8.135 2.067 1.00 0.00 H new ATOM 0 HA PHE A 22 69.436 9.894 3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.271 8.343 5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.605 6.984 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.970 9.802 4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.009 5.753 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.207 9.545 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.249 5.495 6.688 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.846 7.392 6.675 1.00 0.00 H new ATOM 363 N GLY A 23 70.528 9.194 1.295 1.00 0.00 N ATOM 364 CA GLY A 23 71.511 8.728 0.276 1.00 0.00 C ATOM 365 C GLY A 23 72.819 8.342 0.972 1.00 0.00 C ATOM 366 O GLY A 23 73.741 9.128 1.059 1.00 0.00 O ATOM 0 H GLY A 23 70.244 10.170 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.110 7.873 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.694 9.515 -0.456 1.00 0.00 H new ATOM 370 N VAL A 24 72.905 7.139 1.471 1.00 0.00 N ATOM 371 CA VAL A 24 74.156 6.711 2.164 1.00 0.00 C ATOM 372 C VAL A 24 74.963 5.769 1.262 1.00 0.00 C ATOM 373 O VAL A 24 74.413 4.938 0.566 1.00 0.00 O ATOM 374 CB VAL A 24 73.678 5.999 3.439 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.357 4.531 3.145 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.777 6.073 4.502 1.00 0.00 C ATOM 0 H VAL A 24 72.167 6.436 1.430 1.00 0.00 H new ATOM 0 HA VAL A 24 74.815 7.547 2.399 1.00 0.00 H new ATOM 0 HB VAL A 24 72.775 6.492 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 24 73.020 4.042 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.571 4.474 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 24 74.251 4.030 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.441 5.569 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.678 5.586 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.996 7.117 4.727 1.00 0.00 H new ATOM 386 N ALA A 25 76.263 5.894 1.268 1.00 0.00 N ATOM 387 CA ALA A 25 77.099 5.008 0.408 1.00 0.00 C ATOM 388 C ALA A 25 78.020 4.140 1.270 1.00 0.00 C ATOM 389 O ALA A 25 78.478 4.551 2.318 1.00 0.00 O ATOM 390 CB ALA A 25 77.923 5.960 -0.460 1.00 0.00 C ATOM 0 H ALA A 25 76.781 6.570 1.830 1.00 0.00 H new ATOM 0 HA ALA A 25 76.493 4.328 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.567 5.382 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.254 6.582 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.537 6.595 0.178 1.00 0.00 H new ATOM 396 N ALA A 26 78.299 2.942 0.833 1.00 0.00 N ATOM 397 CA ALA A 26 79.194 2.045 1.623 1.00 0.00 C ATOM 398 C ALA A 26 79.746 0.930 0.731 1.00 0.00 C ATOM 399 O ALA A 26 79.070 0.434 -0.148 1.00 0.00 O ATOM 400 CB ALA A 26 78.307 1.461 2.724 1.00 0.00 C ATOM 0 H ALA A 26 77.946 2.544 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 26 80.051 2.578 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 26 78.896 0.789 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 26 77.908 2.269 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.483 0.908 2.273 1.00 0.00 H new ATOM 406 N ARG A 27 80.969 0.531 0.950 1.00 0.00 N ATOM 407 CA ARG A 27 81.561 -0.552 0.115 1.00 0.00 C ATOM 408 C ARG A 27 80.705 -1.819 0.212 1.00 0.00 C ATOM 409 O ARG A 27 80.159 -2.289 -0.766 1.00 0.00 O ATOM 410 CB ARG A 27 82.952 -0.794 0.704 1.00 0.00 C ATOM 411 CG ARG A 27 83.843 0.416 0.419 1.00 0.00 C ATOM 412 CD ARG A 27 84.993 -0.002 -0.499 1.00 0.00 C ATOM 413 NE ARG A 27 86.118 0.905 -0.143 1.00 0.00 N ATOM 414 CZ ARG A 27 87.315 0.680 -0.613 1.00 0.00 C ATOM 415 NH1 ARG A 27 88.140 -0.091 0.042 1.00 0.00 N ATOM 416 NH2 ARG A 27 87.686 1.223 -1.740 1.00 0.00 N ATOM 0 H ARG A 27 81.584 0.908 1.671 1.00 0.00 H new ATOM 0 HA ARG A 27 81.610 -0.282 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 27 82.880 -0.961 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.391 -1.693 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.259 1.208 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.237 0.819 1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.263 -1.046 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.718 0.103 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 27 85.953 1.704 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 27 87.850 -0.518 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 27 89.075 -0.266 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 27 87.041 1.823 -2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 27 88.621 1.047 -2.107 1.00 0.00 H new ATOM 430 N SER A 28 80.581 -2.371 1.387 1.00 0.00 N ATOM 431 CA SER A 28 79.758 -3.604 1.550 1.00 0.00 C ATOM 432 C SER A 28 78.271 -3.242 1.566 1.00 0.00 C ATOM 433 O SER A 28 77.728 -2.863 2.586 1.00 0.00 O ATOM 434 CB SER A 28 80.182 -4.185 2.896 1.00 0.00 C ATOM 435 OG SER A 28 79.979 -5.592 2.886 1.00 0.00 O ATOM 0 H SER A 28 81.014 -2.022 2.242 1.00 0.00 H new ATOM 0 HA SER A 28 79.906 -4.314 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 28 81.231 -3.959 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.605 -3.729 3.700 1.00 0.00 H new ATOM 0 HG SER A 28 80.252 -5.968 3.749 1.00 0.00 H new ATOM 441 N CYS A 29 77.609 -3.356 0.446 1.00 0.00 N ATOM 442 CA CYS A 29 76.158 -3.017 0.403 1.00 0.00 C ATOM 443 C CYS A 29 75.457 -3.574 1.643 1.00 0.00 C ATOM 444 O CYS A 29 74.513 -2.998 2.144 1.00 0.00 O ATOM 445 CB CYS A 29 75.625 -3.687 -0.865 1.00 0.00 C ATOM 446 SG CYS A 29 75.652 -5.485 -0.657 1.00 0.00 S ATOM 0 H CYS A 29 78.009 -3.668 -0.439 1.00 0.00 H new ATOM 0 HA CYS A 29 75.984 -1.941 0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.609 -3.349 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.233 -3.401 -1.723 1.00 0.00 H new ATOM 0 HG CYS A 29 74.626 -6.007 -1.261 1.00 0.00 H new ATOM 452 N GLN A 30 75.922 -4.683 2.152 1.00 0.00 N ATOM 453 CA GLN A 30 75.285 -5.259 3.370 1.00 0.00 C ATOM 454 C GLN A 30 75.211 -4.183 4.452 1.00 0.00 C ATOM 455 O GLN A 30 74.309 -4.159 5.264 1.00 0.00 O ATOM 456 CB GLN A 30 76.205 -6.401 3.804 1.00 0.00 C ATOM 457 CG GLN A 30 76.116 -7.541 2.790 1.00 0.00 C ATOM 458 CD GLN A 30 74.950 -8.461 3.158 1.00 0.00 C ATOM 459 OE1 GLN A 30 73.818 -8.027 3.228 1.00 0.00 O ATOM 460 NE2 GLN A 30 75.182 -9.723 3.398 1.00 0.00 N ATOM 0 H GLN A 30 76.711 -5.212 1.780 1.00 0.00 H new ATOM 0 HA GLN A 30 74.271 -5.615 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.233 -6.046 3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 30 75.918 -6.757 4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.974 -7.139 1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 30 77.049 -8.105 2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 30 76.133 -10.087 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 30 74.412 -10.345 3.644 1.00 0.00 H new ATOM 469 N GLU A 31 76.156 -3.282 4.453 1.00 0.00 N ATOM 470 CA GLU A 31 76.149 -2.190 5.465 1.00 0.00 C ATOM 471 C GLU A 31 75.035 -1.199 5.135 1.00 0.00 C ATOM 472 O GLU A 31 74.274 -0.790 5.988 1.00 0.00 O ATOM 473 CB GLU A 31 77.517 -1.520 5.332 1.00 0.00 C ATOM 474 CG GLU A 31 78.500 -2.169 6.306 1.00 0.00 C ATOM 475 CD GLU A 31 79.927 -1.750 5.950 1.00 0.00 C ATOM 476 OE1 GLU A 31 80.523 -2.403 5.109 1.00 0.00 O ATOM 477 OE2 GLU A 31 80.399 -0.783 6.524 1.00 0.00 O ATOM 0 H GLU A 31 76.934 -3.256 3.794 1.00 0.00 H new ATOM 0 HA GLU A 31 75.974 -2.554 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 31 77.884 -1.617 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.433 -0.453 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.266 -1.869 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 31 78.407 -3.254 6.263 1.00 0.00 H new ATOM 484 N LEU A 32 74.934 -0.820 3.894 1.00 0.00 N ATOM 485 CA LEU A 32 73.870 0.135 3.486 1.00 0.00 C ATOM 486 C LEU A 32 72.500 -0.419 3.879 1.00 0.00 C ATOM 487 O LEU A 32 71.658 0.287 4.398 1.00 0.00 O ATOM 488 CB LEU A 32 73.999 0.234 1.968 1.00 0.00 C ATOM 489 CG LEU A 32 75.300 0.953 1.615 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.803 0.468 0.253 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.048 2.462 1.556 1.00 0.00 C ATOM 0 H LEU A 32 75.546 -1.133 3.140 1.00 0.00 H new ATOM 0 HA LEU A 32 73.969 1.109 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.989 -0.762 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.148 0.775 1.554 1.00 0.00 H new ATOM 0 HG LEU A 32 76.050 0.737 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.731 0.982 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.983 -0.606 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 32 75.054 0.682 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 32 75.976 2.976 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.297 2.676 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 74.692 2.810 2.526 1.00 0.00 H new ATOM 503 N LEU A 33 72.274 -1.683 3.642 1.00 0.00 N ATOM 504 CA LEU A 33 70.962 -2.286 4.008 1.00 0.00 C ATOM 505 C LEU A 33 70.812 -2.309 5.530 1.00 0.00 C ATOM 506 O LEU A 33 70.015 -1.588 6.096 1.00 0.00 O ATOM 507 CB LEU A 33 71.007 -3.706 3.450 1.00 0.00 C ATOM 508 CG LEU A 33 71.001 -3.653 1.922 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.017 -5.075 1.360 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.738 -2.931 1.444 1.00 0.00 C ATOM 0 H LEU A 33 72.941 -2.323 3.211 1.00 0.00 H new ATOM 0 HA LEU A 33 70.118 -1.724 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.902 -4.219 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.150 -4.276 3.808 1.00 0.00 H new ATOM 0 HG LEU A 33 71.883 -3.116 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.013 -5.036 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.915 -5.591 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.135 -5.613 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.731 -2.892 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.857 -3.469 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.725 -1.917 1.843 1.00 0.00 H new ATOM 522 N ARG A 34 71.578 -3.129 6.200 1.00 0.00 N ATOM 523 CA ARG A 34 71.481 -3.184 7.685 1.00 0.00 C ATOM 524 C ARG A 34 71.453 -1.765 8.248 1.00 0.00 C ATOM 525 O ARG A 34 70.441 -1.294 8.726 1.00 0.00 O ATOM 526 CB ARG A 34 72.739 -3.924 8.141 1.00 0.00 C ATOM 527 CG ARG A 34 72.339 -5.125 9.003 1.00 0.00 C ATOM 528 CD ARG A 34 71.617 -6.158 8.134 1.00 0.00 C ATOM 529 NE ARG A 34 71.619 -7.410 8.942 1.00 0.00 N ATOM 530 CZ ARG A 34 70.553 -8.160 8.986 1.00 0.00 C ATOM 531 NH1 ARG A 34 70.120 -8.744 7.902 1.00 0.00 N ATOM 532 NH2 ARG A 34 69.919 -8.329 10.114 1.00 0.00 N ATOM 0 H ARG A 34 72.263 -3.760 5.784 1.00 0.00 H new ATOM 0 HA ARG A 34 70.576 -3.686 8.029 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.311 -4.258 7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.383 -3.253 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.224 -5.571 9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 34 71.691 -4.802 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 34 70.601 -5.839 7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 34 72.130 -6.301 7.183 1.00 0.00 H new ATOM 0 HE ARG A 34 72.454 -7.681 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 34 70.615 -8.614 7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 34 69.286 -9.331 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 34 70.257 -7.874 10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 34 69.085 -8.916 10.148 1.00 0.00 H new ATOM 546 N LYS A 35 72.555 -1.075 8.181 1.00 0.00 N ATOM 547 CA LYS A 35 72.586 0.321 8.696 1.00 0.00 C ATOM 548 C LYS A 35 71.354 1.071 8.188 1.00 0.00 C ATOM 549 O LYS A 35 70.885 2.010 8.799 1.00 0.00 O ATOM 550 CB LYS A 35 73.864 0.934 8.123 1.00 0.00 C ATOM 551 CG LYS A 35 75.069 0.088 8.532 1.00 0.00 C ATOM 552 CD LYS A 35 76.350 0.902 8.339 1.00 0.00 C ATOM 553 CE LYS A 35 76.376 1.476 6.921 1.00 0.00 C ATOM 554 NZ LYS A 35 76.275 2.951 7.101 1.00 0.00 N ATOM 0 H LYS A 35 73.434 -1.416 7.793 1.00 0.00 H new ATOM 0 HA LYS A 35 72.576 0.369 9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.797 0.988 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.984 1.955 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 35 74.974 -0.220 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 35 75.109 -0.822 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 35 76.396 1.708 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 77.224 0.271 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 35 77.295 1.204 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.548 1.093 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 75.870 3.378 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.662 3.160 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 77.222 3.346 7.270 1.00 0.00 H new ATOM 568 N GLY A 36 70.824 0.653 7.069 1.00 0.00 N ATOM 569 CA GLY A 36 69.618 1.327 6.514 1.00 0.00 C ATOM 570 C GLY A 36 68.424 1.051 7.427 1.00 0.00 C ATOM 571 O GLY A 36 67.676 1.944 7.770 1.00 0.00 O ATOM 0 H GLY A 36 71.176 -0.128 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.790 2.400 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.414 0.962 5.507 1.00 0.00 H new ATOM 575 N CYS A 37 68.243 -0.177 7.832 1.00 0.00 N ATOM 576 CA CYS A 37 67.100 -0.496 8.733 1.00 0.00 C ATOM 577 C CYS A 37 67.395 0.014 10.143 1.00 0.00 C ATOM 578 O CYS A 37 66.511 0.139 10.967 1.00 0.00 O ATOM 579 CB CYS A 37 66.988 -2.020 8.732 1.00 0.00 C ATOM 580 SG CYS A 37 65.661 -2.517 9.858 1.00 0.00 S ATOM 0 H CYS A 37 68.834 -0.969 7.579 1.00 0.00 H new ATOM 0 HA CYS A 37 66.174 -0.027 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.781 -2.381 7.725 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.932 -2.467 9.043 1.00 0.00 H new ATOM 0 HG CYS A 37 65.558 -3.813 9.862 1.00 0.00 H new ATOM 586 N VAL A 38 68.633 0.312 10.427 1.00 0.00 N ATOM 587 CA VAL A 38 68.985 0.819 11.783 1.00 0.00 C ATOM 588 C VAL A 38 68.747 2.329 11.849 1.00 0.00 C ATOM 589 O VAL A 38 68.138 2.832 12.772 1.00 0.00 O ATOM 590 CB VAL A 38 70.470 0.496 11.962 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.882 0.778 13.408 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.713 -0.982 11.645 1.00 0.00 C ATOM 0 H VAL A 38 69.416 0.226 9.779 1.00 0.00 H new ATOM 0 HA VAL A 38 68.380 0.364 12.567 1.00 0.00 H new ATOM 0 HB VAL A 38 71.060 1.116 11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.940 0.548 13.536 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.709 1.829 13.637 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.291 0.158 14.082 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.771 -1.212 11.772 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.123 -1.601 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.419 -1.187 10.616 1.00 0.00 H new ATOM 602 N ARG A 39 69.217 3.056 10.871 1.00 0.00 N ATOM 603 CA ARG A 39 69.006 4.532 10.878 1.00 0.00 C ATOM 604 C ARG A 39 67.521 4.840 10.667 1.00 0.00 C ATOM 605 O ARG A 39 66.982 5.769 11.234 1.00 0.00 O ATOM 606 CB ARG A 39 69.839 5.061 9.709 1.00 0.00 C ATOM 607 CG ARG A 39 70.608 6.306 10.154 1.00 0.00 C ATOM 608 CD ARG A 39 69.721 7.541 9.991 1.00 0.00 C ATOM 609 NE ARG A 39 69.957 8.347 11.221 1.00 0.00 N ATOM 610 CZ ARG A 39 70.773 9.366 11.188 1.00 0.00 C ATOM 611 NH1 ARG A 39 71.848 9.319 10.450 1.00 0.00 N ATOM 612 NH2 ARG A 39 70.515 10.431 11.896 1.00 0.00 N ATOM 0 H ARG A 39 69.736 2.693 10.071 1.00 0.00 H new ATOM 0 HA ARG A 39 69.301 4.993 11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.534 4.294 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.191 5.302 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 39 70.917 6.203 11.194 1.00 0.00 H new ATOM 0 HG3 ARG A 39 71.516 6.417 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 39 69.985 8.102 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 39 68.671 7.264 9.896 1.00 0.00 H new ATOM 0 HE ARG A 39 69.481 8.103 12.090 1.00 0.00 H new ATOM 0 HH11 ARG A 39 72.052 8.486 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 39 72.485 10.116 10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 39 69.676 10.468 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 39 71.152 11.227 11.870 1.00 0.00 H new ATOM 626 N PHE A 40 66.855 4.056 9.861 1.00 0.00 N ATOM 627 CA PHE A 40 65.403 4.290 9.619 1.00 0.00 C ATOM 628 C PHE A 40 64.579 3.484 10.626 1.00 0.00 C ATOM 629 O PHE A 40 63.393 3.696 10.791 1.00 0.00 O ATOM 630 CB PHE A 40 65.154 3.788 8.195 1.00 0.00 C ATOM 631 CG PHE A 40 65.257 4.943 7.227 1.00 0.00 C ATOM 632 CD1 PHE A 40 66.303 5.867 7.344 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.305 5.089 6.211 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.395 6.936 6.446 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.398 6.159 5.313 1.00 0.00 C ATOM 636 CZ PHE A 40 65.444 7.083 5.431 1.00 0.00 C ATOM 0 H PHE A 40 67.255 3.263 9.360 1.00 0.00 H new ATOM 0 HA PHE A 40 65.120 5.337 9.733 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.881 3.018 7.937 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.167 3.330 8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 40 67.038 5.754 8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.499 4.376 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 40 67.201 7.649 6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 40 63.663 6.272 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.516 7.909 4.739 1.00 0.00 H new ATOM 646 N GLN A 41 65.207 2.561 11.304 1.00 0.00 N ATOM 647 CA GLN A 41 64.478 1.734 12.309 1.00 0.00 C ATOM 648 C GLN A 41 63.284 1.025 11.665 1.00 0.00 C ATOM 649 O GLN A 41 62.163 1.490 11.737 1.00 0.00 O ATOM 650 CB GLN A 41 64.002 2.727 13.370 1.00 0.00 C ATOM 651 CG GLN A 41 65.188 3.156 14.236 1.00 0.00 C ATOM 652 CD GLN A 41 65.363 4.674 14.146 1.00 0.00 C ATOM 653 OE1 GLN A 41 64.463 5.420 14.475 1.00 0.00 O ATOM 654 NE2 GLN A 41 66.491 5.165 13.712 1.00 0.00 N ATOM 0 H GLN A 41 66.198 2.343 11.204 1.00 0.00 H new ATOM 0 HA GLN A 41 65.112 0.954 12.731 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.553 3.598 12.893 1.00 0.00 H new ATOM 0 HB3 GLN A 41 63.231 2.271 13.991 1.00 0.00 H new ATOM 0 HG2 GLN A 41 65.022 2.859 15.272 1.00 0.00 H new ATOM 0 HG3 GLN A 41 66.096 2.654 13.902 1.00 0.00 H new ATOM 0 HE21 GLN A 41 67.247 4.539 13.436 1.00 0.00 H new ATOM 0 HE22 GLN A 41 66.617 6.175 13.649 1.00 0.00 H new ATOM 663 N LEU A 42 63.509 -0.100 11.042 1.00 0.00 N ATOM 664 CA LEU A 42 62.377 -0.835 10.409 1.00 0.00 C ATOM 665 C LEU A 42 62.218 -2.214 11.059 1.00 0.00 C ATOM 666 O LEU A 42 63.082 -3.060 10.936 1.00 0.00 O ATOM 667 CB LEU A 42 62.762 -0.975 8.936 1.00 0.00 C ATOM 668 CG LEU A 42 61.496 -1.156 8.095 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.819 -2.476 8.466 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.531 0.000 8.368 1.00 0.00 C ATOM 0 H LEU A 42 64.424 -0.540 10.944 1.00 0.00 H new ATOM 0 HA LEU A 42 61.427 -0.314 10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.308 -0.091 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.426 -1.829 8.802 1.00 0.00 H new ATOM 0 HG LEU A 42 61.764 -1.167 7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.918 -2.604 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.503 -3.302 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.553 -2.464 9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.630 -0.129 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.266 0.011 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.009 0.943 8.105 1.00 0.00 H new ATOM 682 N PRO A 43 61.115 -2.389 11.737 1.00 0.00 N ATOM 683 CA PRO A 43 60.837 -3.675 12.424 1.00 0.00 C ATOM 684 C PRO A 43 60.492 -4.768 11.409 1.00 0.00 C ATOM 685 O PRO A 43 60.366 -4.515 10.229 1.00 0.00 O ATOM 686 CB PRO A 43 59.639 -3.352 13.311 1.00 0.00 C ATOM 687 CG PRO A 43 58.967 -2.190 12.653 1.00 0.00 C ATOM 688 CD PRO A 43 60.034 -1.417 11.924 1.00 0.00 C ATOM 0 HA PRO A 43 61.690 -4.052 12.988 1.00 0.00 H new ATOM 0 HB2 PRO A 43 58.965 -4.205 13.388 1.00 0.00 H new ATOM 0 HB3 PRO A 43 59.955 -3.103 14.324 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.198 -2.531 11.961 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.473 -1.561 13.393 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.669 -1.038 10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.368 -0.556 12.503 1.00 0.00 H new ATOM 696 N MET A 44 60.351 -5.985 11.862 1.00 0.00 N ATOM 697 CA MET A 44 60.024 -7.102 10.924 1.00 0.00 C ATOM 698 C MET A 44 58.504 -7.290 10.793 1.00 0.00 C ATOM 699 O MET A 44 57.999 -7.467 9.702 1.00 0.00 O ATOM 700 CB MET A 44 60.662 -8.340 11.558 1.00 0.00 C ATOM 701 CG MET A 44 61.566 -9.030 10.535 1.00 0.00 C ATOM 702 SD MET A 44 62.827 -9.998 11.402 1.00 0.00 S ATOM 703 CE MET A 44 64.222 -8.888 11.084 1.00 0.00 C ATOM 0 H MET A 44 60.448 -6.256 12.841 1.00 0.00 H new ATOM 0 HA MET A 44 60.395 -6.908 9.918 1.00 0.00 H new ATOM 0 HB2 MET A 44 61.241 -8.054 12.436 1.00 0.00 H new ATOM 0 HB3 MET A 44 59.887 -9.028 11.897 1.00 0.00 H new ATOM 0 HG2 MET A 44 60.974 -9.679 9.889 1.00 0.00 H new ATOM 0 HG3 MET A 44 62.040 -8.288 9.893 1.00 0.00 H new ATOM 0 HE1 MET A 44 65.124 -9.298 11.539 1.00 0.00 H new ATOM 0 HE2 MET A 44 64.370 -8.789 10.009 1.00 0.00 H new ATOM 0 HE3 MET A 44 64.012 -7.908 11.513 1.00 0.00 H new ATOM 713 N PRO A 45 57.824 -7.258 11.910 1.00 0.00 N ATOM 714 CA PRO A 45 56.354 -7.441 11.913 1.00 0.00 C ATOM 715 C PRO A 45 55.654 -6.133 11.541 1.00 0.00 C ATOM 716 O PRO A 45 56.060 -5.064 11.950 1.00 0.00 O ATOM 717 CB PRO A 45 56.047 -7.829 13.354 1.00 0.00 C ATOM 718 CG PRO A 45 57.169 -7.261 14.172 1.00 0.00 C ATOM 719 CD PRO A 45 58.353 -7.048 13.258 1.00 0.00 C ATOM 0 HA PRO A 45 56.012 -8.185 11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 45 55.086 -7.425 13.673 1.00 0.00 H new ATOM 0 HB3 PRO A 45 55.990 -8.912 13.465 1.00 0.00 H new ATOM 0 HG2 PRO A 45 56.867 -6.319 14.630 1.00 0.00 H new ATOM 0 HG3 PRO A 45 57.431 -7.941 14.983 1.00 0.00 H new ATOM 0 HD2 PRO A 45 58.764 -6.045 13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 45 59.157 -7.749 13.482 1.00 0.00 H new ATOM 727 N GLY A 46 54.608 -6.204 10.763 1.00 0.00 N ATOM 728 CA GLY A 46 53.901 -4.956 10.366 1.00 0.00 C ATOM 729 C GLY A 46 54.913 -4.005 9.730 1.00 0.00 C ATOM 730 O GLY A 46 54.857 -2.805 9.911 1.00 0.00 O ATOM 0 H GLY A 46 54.215 -7.067 10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 46 53.100 -5.182 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.439 -4.490 11.236 1.00 0.00 H new ATOM 734 N SER A 47 55.847 -4.540 8.994 1.00 0.00 N ATOM 735 CA SER A 47 56.879 -3.681 8.350 1.00 0.00 C ATOM 736 C SER A 47 57.223 -4.223 6.960 1.00 0.00 C ATOM 737 O SER A 47 56.907 -5.349 6.629 1.00 0.00 O ATOM 738 CB SER A 47 58.089 -3.779 9.278 1.00 0.00 C ATOM 739 OG SER A 47 57.643 -4.030 10.603 1.00 0.00 O ATOM 0 H SER A 47 55.940 -5.539 8.810 1.00 0.00 H new ATOM 0 HA SER A 47 56.545 -2.653 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.752 -4.578 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.664 -2.854 9.244 1.00 0.00 H new ATOM 0 HG SER A 47 57.051 -3.305 10.892 1.00 0.00 H new ATOM 745 N ARG A 48 57.865 -3.434 6.144 1.00 0.00 N ATOM 746 CA ARG A 48 58.224 -3.909 4.778 1.00 0.00 C ATOM 747 C ARG A 48 58.807 -2.758 3.956 1.00 0.00 C ATOM 748 O ARG A 48 58.476 -1.608 4.161 1.00 0.00 O ATOM 749 CB ARG A 48 56.907 -4.390 4.167 1.00 0.00 C ATOM 750 CG ARG A 48 56.951 -5.909 3.990 1.00 0.00 C ATOM 751 CD ARG A 48 56.413 -6.278 2.606 1.00 0.00 C ATOM 752 NE ARG A 48 56.277 -7.761 2.631 1.00 0.00 N ATOM 753 CZ ARG A 48 55.295 -8.317 3.288 1.00 0.00 C ATOM 754 NH1 ARG A 48 54.143 -8.505 2.705 1.00 0.00 N ATOM 755 NH2 ARG A 48 55.466 -8.684 4.528 1.00 0.00 N ATOM 0 H ARG A 48 58.157 -2.482 6.363 1.00 0.00 H new ATOM 0 HA ARG A 48 58.976 -4.698 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 48 56.072 -4.112 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.742 -3.906 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.974 -6.269 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 48 56.356 -6.393 4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 48 55.454 -5.796 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 48 57.095 -5.957 1.818 1.00 0.00 H new ATOM 0 HE ARG A 48 56.952 -8.343 2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 48 54.009 -8.218 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 48 53.376 -8.939 3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 48 56.366 -8.537 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 48 54.699 -9.118 5.042 1.00 0.00 H new ATOM 769 N LEU A 49 59.674 -3.057 3.029 1.00 0.00 N ATOM 770 CA LEU A 49 60.273 -1.976 2.196 1.00 0.00 C ATOM 771 C LEU A 49 59.850 -2.144 0.736 1.00 0.00 C ATOM 772 O LEU A 49 59.298 -3.157 0.354 1.00 0.00 O ATOM 773 CB LEU A 49 61.784 -2.152 2.344 1.00 0.00 C ATOM 774 CG LEU A 49 62.225 -1.611 3.705 1.00 0.00 C ATOM 775 CD1 LEU A 49 63.209 -2.589 4.350 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.907 -0.254 3.517 1.00 0.00 C ATOM 0 H LEU A 49 59.993 -4.001 2.812 1.00 0.00 H new ATOM 0 HA LEU A 49 59.949 -0.983 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.049 -3.205 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.303 -1.624 1.544 1.00 0.00 H new ATOM 0 HG LEU A 49 61.353 -1.495 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.523 -2.203 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.725 -3.557 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.081 -2.705 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.222 0.132 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.778 -0.371 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.207 0.444 3.058 1.00 0.00 H new ATOM 788 N CYS A 50 60.098 -1.159 -0.082 1.00 0.00 N ATOM 789 CA CYS A 50 59.701 -1.271 -1.515 1.00 0.00 C ATOM 790 C CYS A 50 60.546 -0.332 -2.380 1.00 0.00 C ATOM 791 O CYS A 50 60.925 0.743 -1.961 1.00 0.00 O ATOM 792 CB CYS A 50 58.232 -0.847 -1.550 1.00 0.00 C ATOM 793 SG CYS A 50 58.024 0.697 -0.627 1.00 0.00 S ATOM 0 H CYS A 50 60.556 -0.285 0.177 1.00 0.00 H new ATOM 0 HA CYS A 50 59.850 -2.278 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.906 -0.713 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.607 -1.628 -1.117 1.00 0.00 H new ATOM 0 HG CYS A 50 56.830 0.738 -0.114 1.00 0.00 H new ATOM 799 N LEU A 51 60.837 -0.729 -3.590 1.00 0.00 N ATOM 800 CA LEU A 51 61.650 0.141 -4.486 1.00 0.00 C ATOM 801 C LEU A 51 60.823 1.355 -4.925 1.00 0.00 C ATOM 802 O LEU A 51 59.793 1.221 -5.556 1.00 0.00 O ATOM 803 CB LEU A 51 61.991 -0.741 -5.687 1.00 0.00 C ATOM 804 CG LEU A 51 63.282 -1.509 -5.403 1.00 0.00 C ATOM 805 CD1 LEU A 51 62.978 -3.006 -5.299 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.275 -1.270 -6.540 1.00 0.00 C ATOM 0 H LEU A 51 60.546 -1.618 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 51 62.545 0.524 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.176 -1.438 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 51 62.109 -0.128 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 51 63.711 -1.161 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 51 63.900 -3.551 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.269 -3.178 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.548 -3.356 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.196 -1.817 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.844 -1.618 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.494 -0.205 -6.614 1.00 0.00 H new ATOM 818 N TYR A 52 61.266 2.536 -4.590 1.00 0.00 N ATOM 819 CA TYR A 52 60.503 3.759 -4.980 1.00 0.00 C ATOM 820 C TYR A 52 60.715 4.073 -6.464 1.00 0.00 C ATOM 821 O TYR A 52 59.928 4.764 -7.079 1.00 0.00 O ATOM 822 CB TYR A 52 61.079 4.874 -4.107 1.00 0.00 C ATOM 823 CG TYR A 52 60.290 6.145 -4.319 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.145 6.397 -3.552 1.00 0.00 C ATOM 825 CD2 TYR A 52 60.708 7.075 -5.277 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.418 7.577 -3.746 1.00 0.00 C ATOM 827 CE2 TYR A 52 59.979 8.255 -5.471 1.00 0.00 C ATOM 828 CZ TYR A 52 58.836 8.507 -4.706 1.00 0.00 C ATOM 829 OH TYR A 52 58.119 9.671 -4.896 1.00 0.00 O ATOM 0 H TYR A 52 62.122 2.708 -4.064 1.00 0.00 H new ATOM 0 HA TYR A 52 59.429 3.638 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.043 4.583 -3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.127 5.039 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 52 58.823 5.680 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 52 61.592 6.883 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.535 7.770 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.300 8.971 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 52 57.805 9.714 -5.823 1.00 0.00 H new ATOM 839 N GLU A 53 61.773 3.575 -7.043 1.00 0.00 N ATOM 840 CA GLU A 53 62.031 3.851 -8.486 1.00 0.00 C ATOM 841 C GLU A 53 60.737 3.715 -9.294 1.00 0.00 C ATOM 842 O GLU A 53 60.421 4.548 -10.119 1.00 0.00 O ATOM 843 CB GLU A 53 63.045 2.793 -8.918 1.00 0.00 C ATOM 844 CG GLU A 53 63.358 2.964 -10.406 1.00 0.00 C ATOM 845 CD GLU A 53 64.536 3.926 -10.574 1.00 0.00 C ATOM 846 OE1 GLU A 53 64.308 5.123 -10.527 1.00 0.00 O ATOM 847 OE2 GLU A 53 65.644 3.448 -10.747 1.00 0.00 O ATOM 0 H GLU A 53 62.469 2.990 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 53 62.402 4.863 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.958 2.888 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.648 1.795 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 53 63.597 1.998 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 53 62.483 3.349 -10.930 1.00 0.00 H new ATOM 854 N ASP A 54 59.988 2.671 -9.066 1.00 0.00 N ATOM 855 CA ASP A 54 58.719 2.489 -9.828 1.00 0.00 C ATOM 856 C ASP A 54 57.598 2.025 -8.894 1.00 0.00 C ATOM 857 O ASP A 54 56.515 2.575 -8.890 1.00 0.00 O ATOM 858 CB ASP A 54 59.032 1.413 -10.868 1.00 0.00 C ATOM 859 CG ASP A 54 58.545 1.878 -12.241 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.518 2.534 -12.292 1.00 0.00 O ATOM 861 OD2 ASP A 54 59.209 1.572 -13.218 1.00 0.00 O ATOM 0 H ASP A 54 60.198 1.939 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 54 58.380 3.416 -10.290 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.104 1.220 -10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.546 0.476 -10.596 1.00 0.00 H new ATOM 866 N GLY A 55 57.847 1.016 -8.103 1.00 0.00 N ATOM 867 CA GLY A 55 56.791 0.524 -7.174 1.00 0.00 C ATOM 868 C GLY A 55 56.994 -0.970 -6.912 1.00 0.00 C ATOM 869 O GLY A 55 56.076 -1.759 -7.018 1.00 0.00 O ATOM 0 H GLY A 55 58.733 0.513 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.832 1.077 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.804 0.697 -7.604 1.00 0.00 H new ATOM 873 N THR A 56 58.188 -1.364 -6.567 1.00 0.00 N ATOM 874 CA THR A 56 58.449 -2.807 -6.294 1.00 0.00 C ATOM 875 C THR A 56 58.419 -3.066 -4.786 1.00 0.00 C ATOM 876 O THR A 56 58.474 -2.150 -3.990 1.00 0.00 O ATOM 877 CB THR A 56 59.842 -3.074 -6.862 1.00 0.00 C ATOM 878 OG1 THR A 56 60.249 -1.974 -7.665 1.00 0.00 O ATOM 879 CG2 THR A 56 59.814 -4.346 -7.712 1.00 0.00 C ATOM 0 H THR A 56 58.995 -0.750 -6.462 1.00 0.00 H new ATOM 0 HA THR A 56 57.700 -3.458 -6.744 1.00 0.00 H new ATOM 0 HB THR A 56 60.548 -3.203 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.143 -2.146 -8.027 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.808 -4.535 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.507 -5.190 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.107 -4.220 -8.532 1.00 0.00 H new ATOM 887 N GLU A 57 58.329 -4.305 -4.382 1.00 0.00 N ATOM 888 CA GLU A 57 58.292 -4.607 -2.921 1.00 0.00 C ATOM 889 C GLU A 57 59.495 -5.464 -2.519 1.00 0.00 C ATOM 890 O GLU A 57 59.801 -6.460 -3.145 1.00 0.00 O ATOM 891 CB GLU A 57 56.988 -5.375 -2.706 1.00 0.00 C ATOM 892 CG GLU A 57 57.074 -6.736 -3.399 1.00 0.00 C ATOM 893 CD GLU A 57 55.679 -7.169 -3.853 1.00 0.00 C ATOM 894 OE1 GLU A 57 54.909 -6.305 -4.238 1.00 0.00 O ATOM 895 OE2 GLU A 57 55.404 -8.357 -3.809 1.00 0.00 O ATOM 0 H GLU A 57 58.280 -5.118 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 57 58.337 -3.702 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.805 -5.509 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.149 -4.805 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.745 -6.677 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.492 -7.477 -2.717 1.00 0.00 H new ATOM 902 N VAL A 58 60.179 -5.083 -1.474 1.00 0.00 N ATOM 903 CA VAL A 58 61.362 -5.870 -1.021 1.00 0.00 C ATOM 904 C VAL A 58 61.601 -5.647 0.476 1.00 0.00 C ATOM 905 O VAL A 58 60.994 -4.791 1.088 1.00 0.00 O ATOM 906 CB VAL A 58 62.533 -5.329 -1.840 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.803 -6.108 -1.496 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.227 -5.487 -3.332 1.00 0.00 C ATOM 0 H VAL A 58 59.969 -4.258 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 58 61.227 -6.942 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 58 62.681 -4.274 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.637 -5.721 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.022 -5.996 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.657 -7.163 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.062 -5.101 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.078 -6.542 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.323 -4.930 -3.579 1.00 0.00 H new ATOM 918 N THR A 59 62.477 -6.411 1.070 1.00 0.00 N ATOM 919 CA THR A 59 62.745 -6.238 2.528 1.00 0.00 C ATOM 920 C THR A 59 64.214 -5.872 2.762 1.00 0.00 C ATOM 921 O THR A 59 65.070 -6.134 1.941 1.00 0.00 O ATOM 922 CB THR A 59 62.424 -7.596 3.155 1.00 0.00 C ATOM 923 OG1 THR A 59 63.077 -8.623 2.421 1.00 0.00 O ATOM 924 CG2 THR A 59 60.912 -7.828 3.127 1.00 0.00 C ATOM 0 H THR A 59 63.017 -7.145 0.612 1.00 0.00 H new ATOM 0 HA THR A 59 62.148 -5.436 2.962 1.00 0.00 H new ATOM 0 HB THR A 59 62.773 -7.611 4.188 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.801 -9.002 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.684 -8.796 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.413 -7.041 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.561 -7.813 2.095 1.00 0.00 H new ATOM 932 N ASP A 60 64.509 -5.263 3.880 1.00 0.00 N ATOM 933 CA ASP A 60 65.917 -4.873 4.173 1.00 0.00 C ATOM 934 C ASP A 60 66.813 -6.113 4.259 1.00 0.00 C ATOM 935 O ASP A 60 68.023 -6.018 4.196 1.00 0.00 O ATOM 936 CB ASP A 60 65.853 -4.166 5.529 1.00 0.00 C ATOM 937 CG ASP A 60 65.514 -5.186 6.618 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.528 -5.886 6.459 1.00 0.00 O ATOM 939 OD2 ASP A 60 66.247 -5.251 7.591 1.00 0.00 O ATOM 0 H ASP A 60 63.833 -5.019 4.604 1.00 0.00 H new ATOM 0 HA ASP A 60 66.337 -4.237 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.808 -3.688 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.100 -3.378 5.506 1.00 0.00 H new ATOM 944 N ASP A 61 66.234 -7.274 4.408 1.00 0.00 N ATOM 945 CA ASP A 61 67.064 -8.511 4.502 1.00 0.00 C ATOM 946 C ASP A 61 67.050 -9.271 3.172 1.00 0.00 C ATOM 947 O ASP A 61 67.572 -10.362 3.066 1.00 0.00 O ATOM 948 CB ASP A 61 66.408 -9.346 5.604 1.00 0.00 C ATOM 949 CG ASP A 61 67.405 -10.387 6.119 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.584 -10.232 5.850 1.00 0.00 O ATOM 951 OD2 ASP A 61 66.971 -11.320 6.774 1.00 0.00 O ATOM 0 H ASP A 61 65.226 -7.420 4.469 1.00 0.00 H new ATOM 0 HA ASP A 61 68.108 -8.287 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 61 66.086 -8.700 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 61 65.517 -9.841 5.218 1.00 0.00 H new ATOM 956 N CYS A 62 66.458 -8.702 2.157 1.00 0.00 N ATOM 957 CA CYS A 62 66.416 -9.396 0.837 1.00 0.00 C ATOM 958 C CYS A 62 67.273 -8.641 -0.183 1.00 0.00 C ATOM 959 O CYS A 62 67.891 -9.231 -1.047 1.00 0.00 O ATOM 960 CB CYS A 62 64.945 -9.371 0.420 1.00 0.00 C ATOM 961 SG CYS A 62 64.128 -10.881 0.992 1.00 0.00 S ATOM 0 H CYS A 62 66.003 -7.790 2.184 1.00 0.00 H new ATOM 0 HA CYS A 62 66.806 -10.412 0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.451 -8.496 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.865 -9.290 -0.664 1.00 0.00 H new ATOM 0 HG CYS A 62 63.189 -10.573 1.837 1.00 0.00 H new ATOM 967 N PHE A 63 67.311 -7.340 -0.091 1.00 0.00 N ATOM 968 CA PHE A 63 68.124 -6.544 -1.054 1.00 0.00 C ATOM 969 C PHE A 63 69.509 -7.174 -1.232 1.00 0.00 C ATOM 970 O PHE A 63 70.362 -7.051 -0.375 1.00 0.00 O ATOM 971 CB PHE A 63 68.242 -5.158 -0.421 1.00 0.00 C ATOM 972 CG PHE A 63 66.945 -4.410 -0.613 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.334 -4.386 -1.873 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.353 -3.744 0.466 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.131 -3.695 -2.053 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.149 -3.053 0.285 1.00 0.00 C ATOM 977 CZ PHE A 63 64.538 -3.029 -0.975 1.00 0.00 C ATOM 0 H PHE A 63 66.813 -6.793 0.611 1.00 0.00 H new ATOM 0 HA PHE A 63 67.667 -6.504 -2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.469 -5.249 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.064 -4.606 -0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 63 66.791 -4.901 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.824 -3.763 1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.660 -3.676 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.691 -2.538 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.609 -2.496 -1.114 1.00 0.00 H new ATOM 987 N PRO A 64 69.682 -7.830 -2.347 1.00 0.00 N ATOM 988 CA PRO A 64 70.974 -8.488 -2.651 1.00 0.00 C ATOM 989 C PRO A 64 72.012 -7.448 -3.086 1.00 0.00 C ATOM 990 O PRO A 64 72.777 -6.947 -2.286 1.00 0.00 O ATOM 991 CB PRO A 64 70.633 -9.435 -3.797 1.00 0.00 C ATOM 992 CG PRO A 64 69.423 -8.844 -4.453 1.00 0.00 C ATOM 993 CD PRO A 64 68.697 -8.018 -3.418 1.00 0.00 C ATOM 0 HA PRO A 64 71.406 -9.006 -1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.462 -9.515 -4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.429 -10.440 -3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.712 -8.225 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.774 -9.631 -4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.370 -7.063 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.806 -8.530 -3.054 1.00 0.00 H new ATOM 1001 N GLY A 65 72.042 -7.117 -4.348 1.00 0.00 N ATOM 1002 CA GLY A 65 73.026 -6.109 -4.834 1.00 0.00 C ATOM 1003 C GLY A 65 72.296 -5.035 -5.640 1.00 0.00 C ATOM 1004 O GLY A 65 72.511 -4.881 -6.826 1.00 0.00 O ATOM 0 H GLY A 65 71.426 -7.502 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.546 -5.656 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.783 -6.592 -5.452 1.00 0.00 H new ATOM 1008 N LEU A 66 71.430 -4.291 -5.007 1.00 0.00 N ATOM 1009 CA LEU A 66 70.683 -3.228 -5.739 1.00 0.00 C ATOM 1010 C LEU A 66 71.634 -2.431 -6.632 1.00 0.00 C ATOM 1011 O LEU A 66 72.832 -2.440 -6.431 1.00 0.00 O ATOM 1012 CB LEU A 66 70.099 -2.329 -4.648 1.00 0.00 C ATOM 1013 CG LEU A 66 69.077 -3.116 -3.829 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.644 -2.286 -2.619 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.856 -3.423 -4.699 1.00 0.00 C ATOM 0 H LEU A 66 71.207 -4.373 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 66 69.909 -3.642 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.895 -1.962 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.626 -1.456 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 66 69.526 -4.049 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 66 67.915 -2.847 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.513 -2.065 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.195 -1.353 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 66 67.126 -3.985 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.408 -2.490 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.163 -4.014 -5.562 1.00 0.00 H new ATOM 1027 N PRO A 67 71.058 -1.758 -7.588 1.00 0.00 N ATOM 1028 CA PRO A 67 71.856 -0.935 -8.527 1.00 0.00 C ATOM 1029 C PRO A 67 72.374 0.317 -7.815 1.00 0.00 C ATOM 1030 O PRO A 67 72.096 0.539 -6.653 1.00 0.00 O ATOM 1031 CB PRO A 67 70.856 -0.569 -9.620 1.00 0.00 C ATOM 1032 CG PRO A 67 69.514 -0.659 -8.965 1.00 0.00 C ATOM 1033 CD PRO A 67 69.622 -1.703 -7.883 1.00 0.00 C ATOM 0 HA PRO A 67 72.733 -1.450 -8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.041 0.434 -10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 67 70.929 -1.252 -10.466 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.225 0.304 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 67 68.748 -0.933 -9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.043 -1.426 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.246 -2.669 -8.221 1.00 0.00 H new ATOM 1041 N ASN A 68 73.125 1.135 -8.496 1.00 0.00 N ATOM 1042 CA ASN A 68 73.656 2.366 -7.846 1.00 0.00 C ATOM 1043 C ASN A 68 72.507 3.210 -7.295 1.00 0.00 C ATOM 1044 O ASN A 68 71.399 3.169 -7.791 1.00 0.00 O ATOM 1045 CB ASN A 68 74.397 3.119 -8.952 1.00 0.00 C ATOM 1046 CG ASN A 68 75.876 3.235 -8.586 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.478 4.276 -8.762 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.494 2.203 -8.079 1.00 0.00 N ATOM 0 H ASN A 68 73.394 1.006 -9.471 1.00 0.00 H new ATOM 0 HA ASN A 68 74.312 2.136 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 68 74.286 2.594 -9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 68 73.965 4.111 -9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 68 77.481 2.271 -7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 68 75.990 1.329 -7.931 1.00 0.00 H new ATOM 1055 N ASP A 69 72.763 3.967 -6.267 1.00 0.00 N ATOM 1056 CA ASP A 69 71.687 4.807 -5.676 1.00 0.00 C ATOM 1057 C ASP A 69 70.402 3.991 -5.555 1.00 0.00 C ATOM 1058 O ASP A 69 69.315 4.484 -5.782 1.00 0.00 O ATOM 1059 CB ASP A 69 71.499 5.969 -6.651 1.00 0.00 C ATOM 1060 CG ASP A 69 72.274 7.187 -6.147 1.00 0.00 C ATOM 1061 OD1 ASP A 69 72.922 7.069 -5.120 1.00 0.00 O ATOM 1062 OD2 ASP A 69 72.206 8.218 -6.797 1.00 0.00 O ATOM 0 H ASP A 69 73.672 4.040 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 69 71.939 5.161 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.851 5.686 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.440 6.211 -6.745 1.00 0.00 H new ATOM 1067 N ALA A 70 70.525 2.744 -5.197 1.00 0.00 N ATOM 1068 CA ALA A 70 69.313 1.883 -5.055 1.00 0.00 C ATOM 1069 C ALA A 70 68.190 2.671 -4.374 1.00 0.00 C ATOM 1070 O ALA A 70 68.223 2.919 -3.185 1.00 0.00 O ATOM 1071 CB ALA A 70 69.758 0.709 -4.180 1.00 0.00 C ATOM 0 H ALA A 70 71.412 2.281 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 70 68.928 1.545 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.919 0.029 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.573 0.177 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.099 1.083 -3.215 1.00 0.00 H new ATOM 1077 N GLU A 71 67.198 3.075 -5.123 1.00 0.00 N ATOM 1078 CA GLU A 71 66.078 3.857 -4.523 1.00 0.00 C ATOM 1079 C GLU A 71 65.183 2.952 -3.672 1.00 0.00 C ATOM 1080 O GLU A 71 64.372 2.205 -4.182 1.00 0.00 O ATOM 1081 CB GLU A 71 65.301 4.412 -5.717 1.00 0.00 C ATOM 1082 CG GLU A 71 65.857 5.786 -6.094 1.00 0.00 C ATOM 1083 CD GLU A 71 65.246 6.239 -7.422 1.00 0.00 C ATOM 1084 OE1 GLU A 71 64.047 6.080 -7.583 1.00 0.00 O ATOM 1085 OE2 GLU A 71 65.987 6.735 -8.255 1.00 0.00 O ATOM 0 H GLU A 71 67.115 2.897 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 71 66.437 4.647 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.380 3.731 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.242 4.492 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 71 65.629 6.509 -5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 71 66.943 5.740 -6.178 1.00 0.00 H new ATOM 1092 N LEU A 72 65.319 3.022 -2.376 1.00 0.00 N ATOM 1093 CA LEU A 72 64.471 2.176 -1.488 1.00 0.00 C ATOM 1094 C LEU A 72 63.523 3.066 -0.683 1.00 0.00 C ATOM 1095 O LEU A 72 63.755 4.247 -0.526 1.00 0.00 O ATOM 1096 CB LEU A 72 65.458 1.466 -0.558 1.00 0.00 C ATOM 1097 CG LEU A 72 65.932 0.165 -1.207 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.349 0.438 -2.654 1.00 0.00 C ATOM 1099 CD2 LEU A 72 67.130 -0.384 -0.430 1.00 0.00 C ATOM 0 H LEU A 72 65.981 3.629 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 72 63.857 1.467 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.311 2.114 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 72 64.982 1.254 0.400 1.00 0.00 H new ATOM 0 HG LEU A 72 65.121 -0.564 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.687 -0.489 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.498 0.832 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.160 1.167 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.469 -1.311 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.939 0.346 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.837 -0.578 0.602 1.00 0.00 H new ATOM 1111 N LEU A 73 62.457 2.516 -0.170 1.00 0.00 N ATOM 1112 CA LEU A 73 61.508 3.349 0.623 1.00 0.00 C ATOM 1113 C LEU A 73 61.002 2.573 1.837 1.00 0.00 C ATOM 1114 O LEU A 73 60.599 1.430 1.736 1.00 0.00 O ATOM 1115 CB LEU A 73 60.353 3.667 -0.324 1.00 0.00 C ATOM 1116 CG LEU A 73 59.361 4.593 0.385 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.276 5.923 -0.363 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.980 3.934 0.417 1.00 0.00 C ATOM 0 H LEU A 73 62.203 1.533 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 73 61.984 4.254 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.730 4.143 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.855 2.747 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 73 59.700 4.774 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.569 6.581 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.259 6.393 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.939 5.745 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.274 4.593 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.640 3.751 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.041 2.988 0.955 1.00 0.00 H new ATOM 1130 N LEU A 74 61.014 3.191 2.985 1.00 0.00 N ATOM 1131 CA LEU A 74 60.529 2.499 4.210 1.00 0.00 C ATOM 1132 C LEU A 74 59.007 2.366 4.164 1.00 0.00 C ATOM 1133 O LEU A 74 58.303 3.298 3.828 1.00 0.00 O ATOM 1134 CB LEU A 74 60.955 3.406 5.365 1.00 0.00 C ATOM 1135 CG LEU A 74 61.154 2.566 6.624 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.308 1.585 6.407 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.482 3.487 7.801 1.00 0.00 C ATOM 0 H LEU A 74 61.339 4.147 3.127 1.00 0.00 H new ATOM 0 HA LEU A 74 60.935 1.492 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.879 3.926 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.197 4.170 5.540 1.00 0.00 H new ATOM 0 HG LEU A 74 60.242 2.010 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.450 0.985 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.076 0.930 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.222 2.140 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.625 2.890 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.395 4.042 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.660 4.186 7.956 1.00 0.00 H new ATOM 1149 N LEU A 75 58.489 1.217 4.497 1.00 0.00 N ATOM 1150 CA LEU A 75 57.012 1.033 4.466 1.00 0.00 C ATOM 1151 C LEU A 75 56.584 0.084 5.585 1.00 0.00 C ATOM 1152 O LEU A 75 57.358 -0.727 6.048 1.00 0.00 O ATOM 1153 CB LEU A 75 56.722 0.427 3.091 1.00 0.00 C ATOM 1154 CG LEU A 75 55.344 -0.234 3.095 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.689 -0.050 1.725 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.497 -1.729 3.387 1.00 0.00 C ATOM 0 H LEU A 75 59.024 0.399 4.789 1.00 0.00 H new ATOM 0 HA LEU A 75 56.467 1.965 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.761 1.203 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.487 -0.308 2.839 1.00 0.00 H new ATOM 0 HG LEU A 75 54.722 0.226 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.706 -0.521 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.582 1.014 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.312 -0.512 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.515 -2.201 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 75 56.118 -2.188 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.967 -1.863 4.361 1.00 0.00 H new ATOM 1168 N THR A 76 55.361 0.181 6.025 1.00 0.00 N ATOM 1169 CA THR A 76 54.892 -0.717 7.118 1.00 0.00 C ATOM 1170 C THR A 76 53.410 -1.052 6.924 1.00 0.00 C ATOM 1171 O THR A 76 52.775 -0.585 5.999 1.00 0.00 O ATOM 1172 CB THR A 76 55.105 0.079 8.409 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.076 1.049 8.542 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.464 0.782 8.367 1.00 0.00 C ATOM 0 H THR A 76 54.667 0.842 5.676 1.00 0.00 H new ATOM 0 HA THR A 76 55.431 -1.664 7.136 1.00 0.00 H new ATOM 0 HB THR A 76 55.078 -0.602 9.259 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.211 1.558 9.369 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.610 1.347 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.255 0.039 8.268 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.496 1.462 7.516 1.00 0.00 H new ATOM 1182 N ALA A 77 52.853 -1.862 7.785 1.00 0.00 N ATOM 1183 CA ALA A 77 51.413 -2.228 7.641 1.00 0.00 C ATOM 1184 C ALA A 77 50.547 -0.970 7.571 1.00 0.00 C ATOM 1185 O ALA A 77 49.636 -0.876 6.772 1.00 0.00 O ATOM 1186 CB ALA A 77 51.081 -3.044 8.890 1.00 0.00 C ATOM 0 H ALA A 77 53.331 -2.285 8.580 1.00 0.00 H new ATOM 0 HA ALA A 77 51.222 -2.791 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.036 -3.351 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.717 -3.928 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.253 -2.436 9.778 1.00 0.00 H new ATOM 1192 N GLY A 78 50.827 -0.001 8.394 1.00 0.00 N ATOM 1193 CA GLY A 78 50.023 1.252 8.364 1.00 0.00 C ATOM 1194 C GLY A 78 50.509 2.137 7.213 1.00 0.00 C ATOM 1195 O GLY A 78 50.102 3.274 7.080 1.00 0.00 O ATOM 0 H GLY A 78 51.576 -0.021 9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 78 48.966 1.017 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.119 1.782 9.311 1.00 0.00 H new ATOM 1199 N GLU A 79 51.380 1.627 6.381 1.00 0.00 N ATOM 1200 CA GLU A 79 51.887 2.445 5.245 1.00 0.00 C ATOM 1201 C GLU A 79 51.872 1.631 3.948 1.00 0.00 C ATOM 1202 O GLU A 79 51.837 0.417 3.965 1.00 0.00 O ATOM 1203 CB GLU A 79 53.321 2.805 5.632 1.00 0.00 C ATOM 1204 CG GLU A 79 53.462 4.325 5.690 1.00 0.00 C ATOM 1205 CD GLU A 79 54.390 4.710 6.843 1.00 0.00 C ATOM 1206 OE1 GLU A 79 53.928 4.722 7.972 1.00 0.00 O ATOM 1207 OE2 GLU A 79 55.548 4.987 6.577 1.00 0.00 O ATOM 0 H GLU A 79 51.760 0.682 6.441 1.00 0.00 H new ATOM 0 HA GLU A 79 51.273 3.328 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.569 2.368 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 79 54.021 2.391 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 79 53.862 4.700 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.484 4.786 5.827 1.00 0.00 H new ATOM 1214 N THR A 80 51.898 2.295 2.824 1.00 0.00 N ATOM 1215 CA THR A 80 51.886 1.570 1.520 1.00 0.00 C ATOM 1216 C THR A 80 52.412 2.486 0.409 1.00 0.00 C ATOM 1217 O THR A 80 52.122 3.665 0.379 1.00 0.00 O ATOM 1218 CB THR A 80 50.419 1.210 1.269 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.624 1.643 2.364 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.283 -0.304 1.104 1.00 0.00 C ATOM 0 H THR A 80 51.927 3.312 2.752 1.00 0.00 H new ATOM 0 HA THR A 80 52.520 0.684 1.535 1.00 0.00 H new ATOM 0 HB THR A 80 50.079 1.705 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.686 1.412 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.238 -0.558 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.886 -0.633 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.627 -0.801 2.011 1.00 0.00 H new ATOM 1228 N TRP A 81 53.183 1.957 -0.503 1.00 0.00 N ATOM 1229 CA TRP A 81 53.721 2.809 -1.605 1.00 0.00 C ATOM 1230 C TRP A 81 53.091 2.410 -2.941 1.00 0.00 C ATOM 1231 O TRP A 81 53.039 1.248 -3.291 1.00 0.00 O ATOM 1232 CB TRP A 81 55.226 2.541 -1.623 1.00 0.00 C ATOM 1233 CG TRP A 81 55.825 3.136 -2.860 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.756 2.535 -3.638 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.554 4.430 -3.472 1.00 0.00 C ATOM 1236 NE1 TRP A 81 57.071 3.379 -4.688 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.357 4.558 -4.630 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.696 5.493 -3.139 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.311 5.702 -5.429 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.649 6.647 -3.941 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.455 6.750 -5.083 1.00 0.00 C ATOM 0 H TRP A 81 53.463 0.977 -0.534 1.00 0.00 H new ATOM 0 HA TRP A 81 53.498 3.865 -1.451 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.693 2.971 -0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.415 1.468 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 81 57.183 1.558 -3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.749 3.156 -5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.069 5.423 -2.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.933 5.776 -6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 53.988 7.459 -3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.414 7.639 -5.695 1.00 0.00 H new ATOM 1252 N HIS A 82 52.615 3.367 -3.690 1.00 0.00 N ATOM 1253 CA HIS A 82 51.991 3.042 -5.003 1.00 0.00 C ATOM 1254 C HIS A 82 53.069 2.899 -6.080 1.00 0.00 C ATOM 1255 O HIS A 82 53.235 1.848 -6.668 1.00 0.00 O ATOM 1256 CB HIS A 82 51.074 4.227 -5.311 1.00 0.00 C ATOM 1257 CG HIS A 82 49.942 3.768 -6.188 1.00 0.00 C ATOM 1258 ND1 HIS A 82 48.649 3.623 -5.710 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.893 3.415 -7.513 1.00 0.00 C ATOM 1260 CE1 HIS A 82 47.883 3.200 -6.733 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.592 3.056 -7.856 1.00 0.00 N ATOM 0 H HIS A 82 52.631 4.358 -3.450 1.00 0.00 H new ATOM 0 HA HIS A 82 51.443 2.100 -4.978 1.00 0.00 H new ATOM 0 HB2 HIS A 82 50.683 4.649 -4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.637 5.017 -5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 82 50.736 3.416 -8.188 1.00 0.00 H new ATOM 0 HE1 HIS A 82 46.824 3.001 -6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 82 48.253 2.749 -8.768 1.00 0.00 H new ATOM 1269 N GLY A 83 53.806 3.944 -6.343 1.00 0.00 N ATOM 1270 CA GLY A 83 54.873 3.858 -7.380 1.00 0.00 C ATOM 1271 C GLY A 83 55.080 5.229 -8.025 1.00 0.00 C ATOM 1272 O GLY A 83 54.223 6.089 -7.972 1.00 0.00 O ATOM 0 H GLY A 83 53.716 4.851 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.804 3.514 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.597 3.127 -8.139 1.00 0.00 H new ATOM 1276 N TYR A 84 56.213 5.439 -8.638 1.00 0.00 N ATOM 1277 CA TYR A 84 56.478 6.754 -9.292 1.00 0.00 C ATOM 1278 C TYR A 84 55.926 6.754 -10.720 1.00 0.00 C ATOM 1279 O TYR A 84 56.579 6.318 -11.647 1.00 0.00 O ATOM 1280 CB TYR A 84 58.002 6.888 -9.305 1.00 0.00 C ATOM 1281 CG TYR A 84 58.380 8.340 -9.139 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.209 8.969 -7.900 1.00 0.00 C ATOM 1283 CD2 TYR A 84 58.901 9.057 -10.222 1.00 0.00 C ATOM 1284 CE1 TYR A 84 58.559 10.315 -7.744 1.00 0.00 C ATOM 1285 CE2 TYR A 84 59.252 10.404 -10.066 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.081 11.033 -8.828 1.00 0.00 C ATOM 1287 OH TYR A 84 59.426 12.360 -8.674 1.00 0.00 O ATOM 0 H TYR A 84 56.968 4.757 -8.715 1.00 0.00 H new ATOM 0 HA TYR A 84 56.000 7.582 -8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.437 6.294 -8.502 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.404 6.501 -10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.807 8.415 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 84 59.032 8.572 -11.178 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.427 10.800 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.655 10.957 -10.902 1.00 0.00 H new ATOM 0 HH TYR A 84 59.773 12.708 -9.522 1.00 0.00 H new ATOM 1297 N VAL A 85 54.727 7.234 -10.902 1.00 0.00 N ATOM 1298 CA VAL A 85 54.131 7.259 -12.266 1.00 0.00 C ATOM 1299 C VAL A 85 54.371 8.619 -12.926 1.00 0.00 C ATOM 1300 O VAL A 85 54.697 9.589 -12.271 1.00 0.00 O ATOM 1301 CB VAL A 85 52.639 7.026 -12.041 1.00 0.00 C ATOM 1302 CG1 VAL A 85 52.423 5.633 -11.447 1.00 0.00 C ATOM 1303 CG2 VAL A 85 52.099 8.082 -11.074 1.00 0.00 C ATOM 0 H VAL A 85 54.133 7.611 -10.163 1.00 0.00 H new ATOM 0 HA VAL A 85 54.569 6.509 -12.925 1.00 0.00 H new ATOM 0 HB VAL A 85 52.112 7.100 -12.992 1.00 0.00 H new ATOM 0 HG11 VAL A 85 51.358 5.467 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 85 52.808 4.880 -12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 85 52.949 5.558 -10.495 1.00 0.00 H new ATOM 0 HG21 VAL A 85 51.034 7.917 -10.913 1.00 0.00 H new ATOM 0 HG22 VAL A 85 52.626 8.008 -10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 85 52.252 9.075 -11.497 1.00 0.00 H new ATOM 1313 N SER A 86 54.210 8.698 -14.218 1.00 0.00 N ATOM 1314 CA SER A 86 54.424 9.996 -14.919 1.00 0.00 C ATOM 1315 C SER A 86 53.078 10.617 -15.299 1.00 0.00 C ATOM 1316 O SER A 86 52.790 10.840 -16.458 1.00 0.00 O ATOM 1317 CB SER A 86 55.227 9.643 -16.172 1.00 0.00 C ATOM 1318 OG SER A 86 54.505 8.687 -16.937 1.00 0.00 O ATOM 0 H SER A 86 53.939 7.920 -14.819 1.00 0.00 H new ATOM 0 HA SER A 86 54.944 10.723 -14.295 1.00 0.00 H new ATOM 0 HB2 SER A 86 55.409 10.539 -16.766 1.00 0.00 H new ATOM 0 HB3 SER A 86 56.201 9.242 -15.893 1.00 0.00 H new ATOM 0 HG SER A 86 53.659 9.080 -17.237 1.00 0.00 H new ATOM 1324 N ASP A 87 52.249 10.895 -14.329 1.00 0.00 N ATOM 1325 CA ASP A 87 50.919 11.500 -14.631 1.00 0.00 C ATOM 1326 C ASP A 87 50.541 12.514 -13.549 1.00 0.00 C ATOM 1327 O ASP A 87 49.651 13.312 -13.797 1.00 0.00 O ATOM 1328 CB ASP A 87 49.941 10.324 -14.627 1.00 0.00 C ATOM 1329 CG ASP A 87 48.807 10.599 -15.617 1.00 0.00 C ATOM 1330 OD1 ASP A 87 49.105 10.930 -16.752 1.00 0.00 O ATOM 1331 OD2 ASP A 87 47.659 10.471 -15.222 1.00 0.00 O ATOM 1332 OXT ASP A 87 51.147 12.476 -12.492 1.00 0.00 O ATOM 0 H ASP A 87 52.435 10.729 -13.340 1.00 0.00 H new ATOM 0 HA ASP A 87 50.914 12.033 -15.582 1.00 0.00 H new ATOM 0 HB2 ASP A 87 50.460 9.405 -14.899 1.00 0.00 H new ATOM 0 HB3 ASP A 87 49.536 10.177 -13.626 1.00 0.00 H new TER 1337 ASP A 87