USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 892 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 85 HIS : no HE2:sc= 0.828 K(o=1.4,f=-3.4!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0.255 K(o=1.4,f=0.83) USER MOD Set 1.3: A 93 SER OG : rot -109:sc= 0.273 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -2.8! K(o=-3.2!,f=-1.8) USER MOD Set 2.2: A 84 SER OG : rot 180:sc= -0.401 USER MOD Single : A 1 MET CE :methyl -130:sc= 0 (180deg=-0.916) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.32 (180deg=1.11) USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0.772) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 10 GLN : amide:sc= -1.55 K(o=-1.5,f=-0.34) USER MOD Single : A 19 TYR OH : rot 65:sc= 1.16 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.703 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 41:sc= 0.0294 USER MOD Single : A 37 ASN : amide:sc= -0.601 K(o=-0.6,f=-3!) USER MOD Single : A 43 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.13) USER MOD Single : A 64 TYR OH : rot -115:sc= 0.361 USER MOD Single : A 72 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.79) USER MOD Single : A 74 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.067) USER MOD Single : A 82 TYR OH : rot 90:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.491 K(o=-0.49,f=-1.1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 134:sc= 0.488 USER MOD Single : A 111 SER OG : rot 148:sc= 0.823 USER MOD Single : A 121 THR OG1 : rot -9:sc= 1.64 USER MOD Single : A 130 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 133 HIS : no HE2:sc= -1.69 X(o=-1.7,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.339 -6.255 5.097 1.00 0.00 N ATOM 2 CA MET A 1 -9.391 -6.029 3.979 1.00 0.00 C ATOM 3 C MET A 1 -9.303 -7.253 3.078 1.00 0.00 C ATOM 4 O MET A 1 -8.874 -8.322 3.509 1.00 0.00 O ATOM 5 CB MET A 1 -7.999 -5.696 4.518 1.00 0.00 C ATOM 6 CG MET A 1 -6.947 -5.556 3.425 1.00 0.00 C ATOM 7 SD MET A 1 -5.289 -5.289 4.080 1.00 0.00 S ATOM 8 CE MET A 1 -4.324 -5.311 2.572 1.00 0.00 C ATOM 0 H1 MET A 1 -10.509 -5.358 5.594 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.238 -6.619 4.722 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.935 -6.947 5.760 1.00 0.00 H new ATOM 0 HA MET A 1 -9.765 -5.189 3.394 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.049 -4.767 5.085 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.690 -6.477 5.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.949 -6.455 2.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.214 -4.723 2.775 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.481 -5.992 2.689 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.949 -5.647 1.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.953 -4.308 2.363 1.00 0.00 H new ATOM 20 N LYS A 2 -9.707 -7.093 1.823 1.00 0.00 N ATOM 21 CA LYS A 2 -9.570 -8.155 0.832 1.00 0.00 C ATOM 22 C LYS A 2 -8.459 -7.797 -0.146 1.00 0.00 C ATOM 23 O LYS A 2 -8.365 -6.654 -0.599 1.00 0.00 O ATOM 24 CB LYS A 2 -10.884 -8.401 0.069 1.00 0.00 C ATOM 25 CG LYS A 2 -11.911 -9.234 0.831 1.00 0.00 C ATOM 26 CD LYS A 2 -12.485 -8.483 2.024 1.00 0.00 C ATOM 27 CE LYS A 2 -13.441 -9.345 2.837 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.658 -9.729 2.068 1.00 0.00 N ATOM 0 H LYS A 2 -10.133 -6.237 1.467 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.320 -9.076 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.330 -7.438 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.655 -8.901 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.720 -9.516 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.445 -10.158 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.671 -8.143 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.008 -7.593 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.923 -10.246 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.739 -8.804 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.389 -10.073 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.018 -8.901 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.418 -10.481 1.391 1.00 0.00 H new ATOM 42 N THR A 3 -7.612 -8.761 -0.461 1.00 0.00 N ATOM 43 CA THR A 3 -6.486 -8.514 -1.347 1.00 0.00 C ATOM 44 C THR A 3 -6.111 -9.783 -2.109 1.00 0.00 C ATOM 45 O THR A 3 -6.640 -10.860 -1.833 1.00 0.00 O ATOM 46 CB THR A 3 -5.267 -7.979 -0.559 1.00 0.00 C ATOM 47 OG1 THR A 3 -4.241 -7.538 -1.459 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.701 -9.042 0.376 1.00 0.00 C ATOM 0 H THR A 3 -7.681 -9.719 -0.118 1.00 0.00 H new ATOM 0 HA THR A 3 -6.787 -7.753 -2.067 1.00 0.00 H new ATOM 0 HB THR A 3 -5.609 -7.136 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.478 -7.201 -0.945 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.846 -8.634 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.468 -9.345 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.384 -9.907 -0.206 1.00 0.00 H new ATOM 56 N THR A 4 -5.210 -9.649 -3.072 1.00 0.00 N ATOM 57 CA THR A 4 -4.793 -10.770 -3.890 1.00 0.00 C ATOM 58 C THR A 4 -3.385 -11.215 -3.510 1.00 0.00 C ATOM 59 O THR A 4 -2.581 -10.412 -3.032 1.00 0.00 O ATOM 60 CB THR A 4 -4.819 -10.398 -5.387 1.00 0.00 C ATOM 61 OG1 THR A 4 -4.016 -9.230 -5.615 1.00 0.00 O ATOM 62 CG2 THR A 4 -6.241 -10.141 -5.865 1.00 0.00 C ATOM 0 H THR A 4 -4.753 -8.767 -3.304 1.00 0.00 H new ATOM 0 HA THR A 4 -5.492 -11.587 -3.713 1.00 0.00 H new ATOM 0 HB THR A 4 -4.413 -11.238 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.036 -9.000 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.228 -9.881 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.842 -11.039 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.673 -9.319 -5.295 1.00 0.00 H new ATOM 70 N PRO A 5 -3.074 -12.506 -3.708 1.00 0.00 N ATOM 71 CA PRO A 5 -1.727 -13.040 -3.478 1.00 0.00 C ATOM 72 C PRO A 5 -0.689 -12.306 -4.314 1.00 0.00 C ATOM 73 O PRO A 5 0.482 -12.211 -3.940 1.00 0.00 O ATOM 74 CB PRO A 5 -1.831 -14.506 -3.921 1.00 0.00 C ATOM 75 CG PRO A 5 -3.099 -14.605 -4.702 1.00 0.00 C ATOM 76 CD PRO A 5 -4.009 -13.548 -4.156 1.00 0.00 C ATOM 0 HA PRO A 5 -1.410 -12.927 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.973 -14.792 -4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.849 -15.174 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.915 -14.449 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.544 -15.594 -4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.696 -13.175 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.618 -13.925 -3.334 1.00 0.00 H new ATOM 84 N ASP A 6 -1.143 -11.785 -5.447 1.00 0.00 N ATOM 85 CA ASP A 6 -0.308 -10.998 -6.341 1.00 0.00 C ATOM 86 C ASP A 6 0.233 -9.758 -5.632 1.00 0.00 C ATOM 87 O ASP A 6 1.417 -9.445 -5.730 1.00 0.00 O ATOM 88 CB ASP A 6 -1.107 -10.599 -7.579 1.00 0.00 C ATOM 89 CG ASP A 6 -0.348 -9.667 -8.500 1.00 0.00 C ATOM 90 OD1 ASP A 6 0.763 -10.025 -8.936 1.00 0.00 O ATOM 91 OD2 ASP A 6 -0.867 -8.569 -8.794 1.00 0.00 O ATOM 0 H ASP A 6 -2.104 -11.898 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 6 0.543 -11.607 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.385 -11.497 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.033 -10.117 -7.267 1.00 0.00 H new ATOM 96 N ILE A 7 -0.637 -9.069 -4.900 1.00 0.00 N ATOM 97 CA ILE A 7 -0.236 -7.880 -4.151 1.00 0.00 C ATOM 98 C ILE A 7 0.802 -8.234 -3.090 1.00 0.00 C ATOM 99 O ILE A 7 1.820 -7.558 -2.955 1.00 0.00 O ATOM 100 CB ILE A 7 -1.453 -7.207 -3.470 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.440 -6.687 -4.521 1.00 0.00 C ATOM 102 CG2 ILE A 7 -1.010 -6.079 -2.542 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.848 -5.658 -5.463 1.00 0.00 C ATOM 0 H ILE A 7 -1.623 -9.312 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 7 0.199 -7.180 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.958 -7.960 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.811 -7.529 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.299 -6.249 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.885 -5.625 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.356 -6.480 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.472 -5.325 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.607 -5.339 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.503 -4.797 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.007 -6.097 -6.000 1.00 0.00 H new ATOM 115 N LEU A 8 0.549 -9.316 -2.360 1.00 0.00 N ATOM 116 CA LEU A 8 1.456 -9.758 -1.303 1.00 0.00 C ATOM 117 C LEU A 8 2.821 -10.130 -1.870 1.00 0.00 C ATOM 118 O LEU A 8 3.857 -9.856 -1.259 1.00 0.00 O ATOM 119 CB LEU A 8 0.861 -10.948 -0.550 1.00 0.00 C ATOM 120 CG LEU A 8 -0.410 -10.643 0.238 1.00 0.00 C ATOM 121 CD1 LEU A 8 -0.904 -11.893 0.939 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.160 -9.531 1.249 1.00 0.00 C ATOM 0 H LEU A 8 -0.276 -9.904 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 8 1.588 -8.928 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.645 -11.741 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.612 -11.336 0.138 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.177 -10.306 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.811 -11.662 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.120 -12.664 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.137 -12.253 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.078 -9.328 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.621 -9.840 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.156 -8.628 0.726 1.00 0.00 H new ATOM 134 N ASP A 9 2.817 -10.743 -3.044 1.00 0.00 N ATOM 135 CA ASP A 9 4.059 -11.127 -3.703 1.00 0.00 C ATOM 136 C ASP A 9 4.824 -9.876 -4.124 1.00 0.00 C ATOM 137 O ASP A 9 6.035 -9.782 -3.940 1.00 0.00 O ATOM 138 CB ASP A 9 3.765 -12.008 -4.919 1.00 0.00 C ATOM 139 CG ASP A 9 5.012 -12.666 -5.477 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.363 -13.772 -5.011 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.644 -12.089 -6.387 1.00 0.00 O ATOM 0 H ASP A 9 1.971 -10.985 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 9 4.671 -11.699 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.046 -12.778 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.298 -11.403 -5.697 1.00 0.00 H new ATOM 146 N GLN A 10 4.095 -8.904 -4.661 1.00 0.00 N ATOM 147 CA GLN A 10 4.673 -7.614 -5.031 1.00 0.00 C ATOM 148 C GLN A 10 5.262 -6.911 -3.808 1.00 0.00 C ATOM 149 O GLN A 10 6.237 -6.160 -3.917 1.00 0.00 O ATOM 150 CB GLN A 10 3.613 -6.730 -5.689 1.00 0.00 C ATOM 151 CG GLN A 10 3.150 -7.248 -7.036 1.00 0.00 C ATOM 152 CD GLN A 10 2.094 -6.367 -7.666 1.00 0.00 C ATOM 153 OE1 GLN A 10 2.398 -5.439 -8.410 1.00 0.00 O ATOM 154 NE2 GLN A 10 0.841 -6.661 -7.377 1.00 0.00 N ATOM 0 H GLN A 10 3.096 -8.985 -4.851 1.00 0.00 H new ATOM 0 HA GLN A 10 5.478 -7.792 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.753 -6.650 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.015 -5.724 -5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.006 -7.320 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.753 -8.256 -6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.631 -7.441 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.082 -6.109 -7.777 1.00 0.00 H new ATOM 163 N ILE A 11 4.673 -7.157 -2.645 1.00 0.00 N ATOM 164 CA ILE A 11 5.180 -6.595 -1.401 1.00 0.00 C ATOM 165 C ILE A 11 6.594 -7.101 -1.114 1.00 0.00 C ATOM 166 O ILE A 11 7.486 -6.315 -0.789 1.00 0.00 O ATOM 167 CB ILE A 11 4.258 -6.908 -0.199 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.885 -6.256 -0.390 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.889 -6.435 1.104 1.00 0.00 C ATOM 170 CD1 ILE A 11 2.932 -4.746 -0.531 1.00 0.00 C ATOM 0 H ILE A 11 3.844 -7.742 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 11 5.203 -5.513 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 11 4.127 -7.989 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.414 -6.679 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.252 -6.512 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.223 -6.666 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.843 -6.942 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.054 -5.358 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.921 -4.361 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.372 -4.310 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.537 -4.480 -1.398 1.00 0.00 H new ATOM 182 N ARG A 12 6.810 -8.405 -1.249 1.00 0.00 N ATOM 183 CA ARG A 12 8.137 -8.962 -1.017 1.00 0.00 C ATOM 184 C ARG A 12 9.116 -8.447 -2.075 1.00 0.00 C ATOM 185 O ARG A 12 10.300 -8.261 -1.800 1.00 0.00 O ATOM 186 CB ARG A 12 8.113 -10.498 -0.991 1.00 0.00 C ATOM 187 CG ARG A 12 8.123 -11.165 -2.358 1.00 0.00 C ATOM 188 CD ARG A 12 8.217 -12.674 -2.230 1.00 0.00 C ATOM 189 NE ARG A 12 8.378 -13.337 -3.520 1.00 0.00 N ATOM 190 CZ ARG A 12 8.748 -14.609 -3.659 1.00 0.00 C ATOM 191 NH1 ARG A 12 8.973 -15.360 -2.587 1.00 0.00 N ATOM 192 NH2 ARG A 12 8.892 -15.128 -4.872 1.00 0.00 N ATOM 0 H ARG A 12 6.097 -9.085 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 12 8.474 -8.631 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.976 -10.850 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.224 -10.823 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.217 -10.899 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.966 -10.793 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.059 -12.929 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.318 -13.050 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 12 8.197 -12.795 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.863 -14.963 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.256 -16.334 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.719 -14.553 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.175 -16.102 -4.980 1.00 0.00 H new ATOM 206 N VAL A 13 8.601 -8.193 -3.276 1.00 0.00 N ATOM 207 CA VAL A 13 9.420 -7.669 -4.359 1.00 0.00 C ATOM 208 C VAL A 13 9.850 -6.234 -4.067 1.00 0.00 C ATOM 209 O VAL A 13 11.025 -5.899 -4.188 1.00 0.00 O ATOM 210 CB VAL A 13 8.679 -7.717 -5.716 1.00 0.00 C ATOM 211 CG1 VAL A 13 9.541 -7.129 -6.826 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.280 -9.146 -6.057 1.00 0.00 C ATOM 0 H VAL A 13 7.622 -8.342 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 13 10.302 -8.306 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 13 7.775 -7.114 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.999 -7.174 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.777 -6.091 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.465 -7.701 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.760 -9.160 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.173 -9.768 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.621 -9.535 -5.281 1.00 0.00 H new ATOM 222 N HIS A 14 8.899 -5.393 -3.652 1.00 0.00 N ATOM 223 CA HIS A 14 9.194 -3.981 -3.401 1.00 0.00 C ATOM 224 C HIS A 14 10.231 -3.835 -2.285 1.00 0.00 C ATOM 225 O HIS A 14 10.975 -2.858 -2.250 1.00 0.00 O ATOM 226 CB HIS A 14 7.909 -3.175 -3.075 1.00 0.00 C ATOM 227 CG HIS A 14 7.656 -2.911 -1.611 1.00 0.00 C ATOM 228 ND1 HIS A 14 8.286 -1.905 -0.903 1.00 0.00 N ATOM 229 CD2 HIS A 14 6.838 -3.526 -0.724 1.00 0.00 C ATOM 230 CE1 HIS A 14 7.869 -1.921 0.350 1.00 0.00 C ATOM 231 NE2 HIS A 14 6.991 -2.893 0.484 1.00 0.00 N ATOM 0 H HIS A 14 7.929 -5.661 -3.484 1.00 0.00 H new ATOM 0 HA HIS A 14 9.614 -3.564 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.961 -2.218 -3.594 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.052 -3.712 -3.482 1.00 0.00 H new ATOM 0 HD1 HIS A 14 8.968 -1.251 -1.289 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.185 -4.361 -0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.193 -1.250 1.132 1.00 0.00 H new ATOM 240 N GLY A 15 10.261 -4.801 -1.374 1.00 0.00 N ATOM 241 CA GLY A 15 11.213 -4.760 -0.283 1.00 0.00 C ATOM 242 C GLY A 15 12.640 -4.909 -0.766 1.00 0.00 C ATOM 243 O GLY A 15 13.506 -4.111 -0.418 1.00 0.00 O ATOM 0 H GLY A 15 9.642 -5.612 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.109 -3.817 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.986 -5.556 0.426 1.00 0.00 H new ATOM 247 N ALA A 16 12.874 -5.924 -1.588 1.00 0.00 N ATOM 248 CA ALA A 16 14.203 -6.189 -2.123 1.00 0.00 C ATOM 249 C ALA A 16 14.574 -5.172 -3.196 1.00 0.00 C ATOM 250 O ALA A 16 15.735 -4.787 -3.323 1.00 0.00 O ATOM 251 CB ALA A 16 14.278 -7.601 -2.684 1.00 0.00 C ATOM 0 H ALA A 16 12.157 -6.580 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 16 14.920 -6.098 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.277 -7.783 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.065 -8.319 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.545 -7.714 -3.483 1.00 0.00 H new ATOM 257 N ASP A 17 13.579 -4.734 -3.959 1.00 0.00 N ATOM 258 CA ASP A 17 13.812 -3.836 -5.090 1.00 0.00 C ATOM 259 C ASP A 17 14.198 -2.439 -4.635 1.00 0.00 C ATOM 260 O ASP A 17 15.075 -1.796 -5.219 1.00 0.00 O ATOM 261 CB ASP A 17 12.546 -3.745 -5.936 1.00 0.00 C ATOM 262 CG ASP A 17 12.724 -2.898 -7.183 1.00 0.00 C ATOM 263 OD1 ASP A 17 13.361 -3.374 -8.148 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.227 -1.755 -7.207 1.00 0.00 O ATOM 0 H ASP A 17 12.601 -4.985 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 17 14.637 -4.246 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.237 -4.749 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.741 -3.327 -5.331 1.00 0.00 H new ATOM 269 N ALA A 18 13.550 -1.984 -3.581 1.00 0.00 N ATOM 270 CA ALA A 18 13.756 -0.628 -3.084 1.00 0.00 C ATOM 271 C ALA A 18 14.942 -0.550 -2.132 1.00 0.00 C ATOM 272 O ALA A 18 15.577 0.498 -2.009 1.00 0.00 O ATOM 273 CB ALA A 18 12.500 -0.116 -2.401 1.00 0.00 C ATOM 0 H ALA A 18 12.874 -2.531 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 18 13.978 0.005 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.671 0.897 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.675 -0.110 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.251 -0.766 -1.562 1.00 0.00 H new ATOM 279 N TYR A 19 15.236 -1.656 -1.456 1.00 0.00 N ATOM 280 CA TYR A 19 16.331 -1.693 -0.493 1.00 0.00 C ATOM 281 C TYR A 19 17.663 -1.366 -1.172 1.00 0.00 C ATOM 282 O TYR A 19 17.852 -1.656 -2.355 1.00 0.00 O ATOM 283 CB TYR A 19 16.399 -3.069 0.177 1.00 0.00 C ATOM 284 CG TYR A 19 16.360 -3.001 1.687 1.00 0.00 C ATOM 285 CD1 TYR A 19 15.250 -2.490 2.343 1.00 0.00 C ATOM 286 CD2 TYR A 19 17.428 -3.445 2.455 1.00 0.00 C ATOM 287 CE1 TYR A 19 15.206 -2.421 3.721 1.00 0.00 C ATOM 288 CE2 TYR A 19 17.389 -3.380 3.832 1.00 0.00 C ATOM 289 CZ TYR A 19 16.279 -2.867 4.459 1.00 0.00 C ATOM 290 OH TYR A 19 16.241 -2.804 5.834 1.00 0.00 O ATOM 0 H TYR A 19 14.732 -2.537 -1.557 1.00 0.00 H new ATOM 0 HA TYR A 19 16.143 -0.938 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.566 -3.678 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.315 -3.572 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 19 14.406 -2.140 1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 19 18.303 -3.848 1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 19 14.335 -2.019 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 19 18.227 -3.731 4.415 1.00 0.00 H new ATOM 0 HH TYR A 19 15.536 -3.396 6.169 1.00 0.00 H new ATOM 300 N PRO A 20 18.617 -0.769 -0.435 1.00 0.00 N ATOM 301 CA PRO A 20 18.482 -0.482 0.998 1.00 0.00 C ATOM 302 C PRO A 20 17.728 0.815 1.294 1.00 0.00 C ATOM 303 O PRO A 20 17.496 1.153 2.457 1.00 0.00 O ATOM 304 CB PRO A 20 19.935 -0.370 1.449 1.00 0.00 C ATOM 305 CG PRO A 20 20.652 0.178 0.263 1.00 0.00 C ATOM 306 CD PRO A 20 19.926 -0.336 -0.954 1.00 0.00 C ATOM 0 HA PRO A 20 17.901 -1.248 1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.033 0.289 2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.336 -1.340 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.655 1.268 0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.694 -0.143 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 20 19.818 0.441 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.463 -1.162 -1.419 1.00 0.00 H new ATOM 314 N GLU A 21 17.359 1.545 0.250 1.00 0.00 N ATOM 315 CA GLU A 21 16.692 2.831 0.420 1.00 0.00 C ATOM 316 C GLU A 21 15.251 2.654 0.895 1.00 0.00 C ATOM 317 O GLU A 21 14.671 1.572 0.785 1.00 0.00 O ATOM 318 CB GLU A 21 16.732 3.633 -0.881 1.00 0.00 C ATOM 319 CG GLU A 21 18.137 4.042 -1.290 1.00 0.00 C ATOM 320 CD GLU A 21 18.150 4.971 -2.483 1.00 0.00 C ATOM 321 OE1 GLU A 21 17.874 6.179 -2.306 1.00 0.00 O ATOM 322 OE2 GLU A 21 18.455 4.509 -3.602 1.00 0.00 O ATOM 0 H GLU A 21 17.509 1.271 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 21 17.231 3.385 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.286 3.040 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.119 4.527 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.628 4.531 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.717 3.149 -1.523 1.00 0.00 H new ATOM 329 N GLU A 22 14.687 3.724 1.440 1.00 0.00 N ATOM 330 CA GLU A 22 13.335 3.695 1.977 1.00 0.00 C ATOM 331 C GLU A 22 12.308 3.748 0.848 1.00 0.00 C ATOM 332 O GLU A 22 11.964 4.822 0.348 1.00 0.00 O ATOM 333 CB GLU A 22 13.128 4.861 2.951 1.00 0.00 C ATOM 334 CG GLU A 22 11.782 4.843 3.656 1.00 0.00 C ATOM 335 CD GLU A 22 11.607 6.015 4.599 1.00 0.00 C ATOM 336 OE1 GLU A 22 11.169 7.091 4.141 1.00 0.00 O ATOM 337 OE2 GLU A 22 11.910 5.865 5.801 1.00 0.00 O ATOM 0 H GLU A 22 15.150 4.629 1.522 1.00 0.00 H new ATOM 0 HA GLU A 22 13.195 2.760 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.920 4.841 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.229 5.799 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.985 4.857 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.680 3.913 4.215 1.00 0.00 H new ATOM 344 N GLY A 23 11.847 2.580 0.432 1.00 0.00 N ATOM 345 CA GLY A 23 10.862 2.507 -0.623 1.00 0.00 C ATOM 346 C GLY A 23 9.542 1.948 -0.142 1.00 0.00 C ATOM 347 O GLY A 23 9.229 0.778 -0.376 1.00 0.00 O ATOM 0 H GLY A 23 12.139 1.678 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.703 3.503 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.245 1.883 -1.431 1.00 0.00 H new ATOM 351 N CYS A 24 8.772 2.780 0.540 1.00 0.00 N ATOM 352 CA CYS A 24 7.440 2.402 0.989 1.00 0.00 C ATOM 353 C CYS A 24 6.430 2.678 -0.121 1.00 0.00 C ATOM 354 O CYS A 24 6.816 2.864 -1.276 1.00 0.00 O ATOM 355 CB CYS A 24 7.078 3.175 2.258 1.00 0.00 C ATOM 356 SG CYS A 24 8.200 2.869 3.644 1.00 0.00 S ATOM 0 H CYS A 24 9.048 3.728 0.797 1.00 0.00 H new ATOM 0 HA CYS A 24 7.421 1.337 1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.075 4.242 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.064 2.909 2.558 1.00 0.00 H new ATOM 0 HG CYS A 24 7.818 3.566 4.673 1.00 0.00 H new ATOM 362 N GLY A 25 5.146 2.690 0.209 1.00 0.00 N ATOM 363 CA GLY A 25 4.149 2.987 -0.795 1.00 0.00 C ATOM 364 C GLY A 25 2.741 3.009 -0.246 1.00 0.00 C ATOM 365 O GLY A 25 2.523 2.811 0.948 1.00 0.00 O ATOM 0 H GLY A 25 4.782 2.502 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.372 3.955 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.211 2.244 -1.590 1.00 0.00 H new ATOM 369 N PHE A 26 1.783 3.224 -1.132 1.00 0.00 N ATOM 370 CA PHE A 26 0.385 3.328 -0.747 1.00 0.00 C ATOM 371 C PHE A 26 -0.435 2.233 -1.417 1.00 0.00 C ATOM 372 O PHE A 26 -0.067 1.734 -2.485 1.00 0.00 O ATOM 373 CB PHE A 26 -0.170 4.703 -1.129 1.00 0.00 C ATOM 374 CG PHE A 26 0.468 5.845 -0.388 1.00 0.00 C ATOM 375 CD1 PHE A 26 1.669 6.388 -0.820 1.00 0.00 C ATOM 376 CD2 PHE A 26 -0.133 6.375 0.739 1.00 0.00 C ATOM 377 CE1 PHE A 26 2.256 7.439 -0.141 1.00 0.00 C ATOM 378 CE2 PHE A 26 0.447 7.426 1.422 1.00 0.00 C ATOM 379 CZ PHE A 26 1.645 7.959 0.982 1.00 0.00 C ATOM 0 H PHE A 26 1.950 3.331 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 26 0.316 3.206 0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.032 4.855 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.244 4.716 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.151 5.984 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.067 5.962 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.191 7.853 -0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.035 7.832 2.299 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.101 8.780 1.516 1.00 0.00 H new ATOM 389 N LEU A 27 -1.545 1.873 -0.788 1.00 0.00 N ATOM 390 CA LEU A 27 -2.431 0.842 -1.306 1.00 0.00 C ATOM 391 C LEU A 27 -3.543 1.476 -2.128 1.00 0.00 C ATOM 392 O LEU A 27 -4.329 2.272 -1.610 1.00 0.00 O ATOM 393 CB LEU A 27 -3.047 0.037 -0.156 1.00 0.00 C ATOM 394 CG LEU A 27 -2.054 -0.671 0.770 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.778 -1.270 1.967 1.00 0.00 C ATOM 396 CD2 LEU A 27 -1.302 -1.754 0.015 1.00 0.00 C ATOM 0 H LEU A 27 -1.855 2.286 0.092 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.847 0.172 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.660 0.709 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.717 -0.711 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.335 0.065 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.058 -1.770 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.278 -0.478 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.517 -1.993 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.601 -2.247 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.010 -2.487 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.755 -1.306 -0.815 1.00 0.00 H new ATOM 408 N LEU A 28 -3.604 1.131 -3.401 1.00 0.00 N ATOM 409 CA LEU A 28 -4.617 1.679 -4.290 1.00 0.00 C ATOM 410 C LEU A 28 -5.689 0.633 -4.557 1.00 0.00 C ATOM 411 O LEU A 28 -5.381 -0.532 -4.820 1.00 0.00 O ATOM 412 CB LEU A 28 -3.982 2.131 -5.608 1.00 0.00 C ATOM 413 CG LEU A 28 -2.797 3.094 -5.467 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.265 3.487 -6.835 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.196 4.330 -4.672 1.00 0.00 C ATOM 0 H LEU A 28 -2.964 0.473 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.074 2.545 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.649 1.248 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.749 2.611 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.004 2.582 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.424 4.171 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.935 2.595 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.054 3.978 -7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.340 4.999 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.008 4.846 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.526 4.032 -3.677 1.00 0.00 H new ATOM 427 N GLY A 29 -6.944 1.036 -4.481 1.00 0.00 N ATOM 428 CA GLY A 29 -8.022 0.101 -4.688 1.00 0.00 C ATOM 429 C GLY A 29 -9.377 0.757 -4.586 1.00 0.00 C ATOM 430 O GLY A 29 -9.510 1.961 -4.811 1.00 0.00 O ATOM 0 H GLY A 29 -7.235 1.993 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.917 -0.360 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.952 -0.700 -3.952 1.00 0.00 H new ATOM 434 N THR A 30 -10.377 -0.036 -4.251 1.00 0.00 N ATOM 435 CA THR A 30 -11.737 0.455 -4.099 1.00 0.00 C ATOM 436 C THR A 30 -12.375 -0.122 -2.844 1.00 0.00 C ATOM 437 O THR A 30 -11.944 -1.161 -2.334 1.00 0.00 O ATOM 438 CB THR A 30 -12.605 0.105 -5.325 1.00 0.00 C ATOM 439 OG1 THR A 30 -12.224 -1.174 -5.848 1.00 0.00 O ATOM 440 CG2 THR A 30 -12.472 1.163 -6.408 1.00 0.00 C ATOM 0 H THR A 30 -10.272 -1.036 -4.077 1.00 0.00 H new ATOM 0 HA THR A 30 -11.683 1.540 -4.013 1.00 0.00 H new ATOM 0 HB THR A 30 -13.646 0.070 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.781 -1.389 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.094 0.891 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.795 2.128 -6.016 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.431 1.230 -6.725 1.00 0.00 H new ATOM 448 N VAL A 31 -13.391 0.554 -2.342 1.00 0.00 N ATOM 449 CA VAL A 31 -14.102 0.085 -1.168 1.00 0.00 C ATOM 450 C VAL A 31 -15.266 -0.803 -1.589 1.00 0.00 C ATOM 451 O VAL A 31 -16.288 -0.329 -2.091 1.00 0.00 O ATOM 452 CB VAL A 31 -14.624 1.254 -0.311 1.00 0.00 C ATOM 453 CG1 VAL A 31 -15.188 0.749 1.009 1.00 0.00 C ATOM 454 CG2 VAL A 31 -13.522 2.274 -0.063 1.00 0.00 C ATOM 0 H VAL A 31 -13.743 1.430 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.400 -0.487 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.428 1.742 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.550 1.593 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.012 0.062 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.407 0.230 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.912 3.091 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.695 1.796 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.169 2.667 -1.016 1.00 0.00 H new ATOM 464 N THR A 32 -15.096 -2.094 -1.382 1.00 0.00 N ATOM 465 CA THR A 32 -16.080 -3.084 -1.782 1.00 0.00 C ATOM 466 C THR A 32 -17.284 -3.056 -0.853 1.00 0.00 C ATOM 467 O THR A 32 -17.128 -3.076 0.371 1.00 0.00 O ATOM 468 CB THR A 32 -15.466 -4.493 -1.791 1.00 0.00 C ATOM 469 OG1 THR A 32 -14.693 -4.692 -0.601 1.00 0.00 O ATOM 470 CG2 THR A 32 -14.586 -4.693 -3.018 1.00 0.00 C ATOM 0 H THR A 32 -14.270 -2.488 -0.931 1.00 0.00 H new ATOM 0 HA THR A 32 -16.407 -2.836 -2.792 1.00 0.00 H new ATOM 0 HB THR A 32 -16.275 -5.222 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.169 -4.310 0.166 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.163 -5.697 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.185 -4.566 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.780 -3.959 -3.011 1.00 0.00 H new ATOM 478 N ASP A 33 -18.479 -2.957 -1.448 1.00 0.00 N ATOM 479 CA ASP A 33 -19.745 -2.903 -0.698 1.00 0.00 C ATOM 480 C ASP A 33 -19.850 -1.592 0.070 1.00 0.00 C ATOM 481 O ASP A 33 -20.828 -1.340 0.772 1.00 0.00 O ATOM 482 CB ASP A 33 -19.850 -4.088 0.263 1.00 0.00 C ATOM 483 CG ASP A 33 -21.228 -4.235 0.890 1.00 0.00 C ATOM 484 OD1 ASP A 33 -22.142 -4.757 0.218 1.00 0.00 O ATOM 485 OD2 ASP A 33 -21.398 -3.844 2.066 1.00 0.00 O ATOM 0 H ASP A 33 -18.598 -2.912 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.569 -2.959 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.603 -5.004 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.109 -3.972 1.054 1.00 0.00 H new ATOM 490 N ASP A 34 -18.827 -0.762 -0.098 1.00 0.00 N ATOM 491 CA ASP A 34 -18.698 0.505 0.621 1.00 0.00 C ATOM 492 C ASP A 34 -18.526 0.222 2.109 1.00 0.00 C ATOM 493 O ASP A 34 -18.929 1.000 2.975 1.00 0.00 O ATOM 494 CB ASP A 34 -19.911 1.402 0.354 1.00 0.00 C ATOM 495 CG ASP A 34 -19.679 2.847 0.751 1.00 0.00 C ATOM 496 OD1 ASP A 34 -18.670 3.433 0.312 1.00 0.00 O ATOM 497 OD2 ASP A 34 -20.526 3.416 1.475 1.00 0.00 O ATOM 0 H ASP A 34 -18.057 -0.948 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.818 1.040 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.162 1.358 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -20.770 1.014 0.901 1.00 0.00 H new ATOM 502 N GLY A 35 -17.907 -0.919 2.385 1.00 0.00 N ATOM 503 CA GLY A 35 -17.665 -1.334 3.751 1.00 0.00 C ATOM 504 C GLY A 35 -16.240 -1.815 3.975 1.00 0.00 C ATOM 505 O GLY A 35 -15.569 -1.361 4.905 1.00 0.00 O ATOM 0 H GLY A 35 -17.565 -1.570 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.872 -0.500 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.359 -2.133 4.012 1.00 0.00 H new ATOM 509 N ASP A 36 -15.774 -2.729 3.128 1.00 0.00 N ATOM 510 CA ASP A 36 -14.420 -3.274 3.257 1.00 0.00 C ATOM 511 C ASP A 36 -13.532 -2.713 2.150 1.00 0.00 C ATOM 512 O ASP A 36 -14.029 -2.228 1.136 1.00 0.00 O ATOM 513 CB ASP A 36 -14.448 -4.809 3.191 1.00 0.00 C ATOM 514 CG ASP A 36 -13.168 -5.456 3.698 1.00 0.00 C ATOM 515 OD1 ASP A 36 -12.151 -5.430 2.981 1.00 0.00 O ATOM 516 OD2 ASP A 36 -13.178 -6.008 4.816 1.00 0.00 O ATOM 0 H ASP A 36 -16.309 -3.108 2.347 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.013 -2.981 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.290 -5.176 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.620 -5.118 2.160 1.00 0.00 H new ATOM 521 N ASN A 37 -12.228 -2.806 2.334 1.00 0.00 N ATOM 522 CA ASN A 37 -11.273 -2.184 1.421 1.00 0.00 C ATOM 523 C ASN A 37 -10.537 -3.236 0.600 1.00 0.00 C ATOM 524 O ASN A 37 -9.858 -4.106 1.154 1.00 0.00 O ATOM 525 CB ASN A 37 -10.252 -1.339 2.199 1.00 0.00 C ATOM 526 CG ASN A 37 -10.851 -0.092 2.831 1.00 0.00 C ATOM 527 OD1 ASN A 37 -12.033 -0.051 3.167 1.00 0.00 O ATOM 528 ND2 ASN A 37 -10.032 0.933 3.016 1.00 0.00 N ATOM 0 H ASN A 37 -11.799 -3.309 3.111 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.835 -1.539 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.804 -1.953 2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.448 -1.044 1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.377 1.790 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.057 0.865 2.725 1.00 0.00 H new ATOM 535 N ARG A 38 -10.670 -3.159 -0.719 1.00 0.00 N ATOM 536 CA ARG A 38 -9.948 -4.058 -1.605 1.00 0.00 C ATOM 537 C ARG A 38 -8.728 -3.363 -2.199 1.00 0.00 C ATOM 538 O ARG A 38 -8.847 -2.321 -2.844 1.00 0.00 O ATOM 539 CB ARG A 38 -10.834 -4.562 -2.751 1.00 0.00 C ATOM 540 CG ARG A 38 -10.054 -5.390 -3.763 1.00 0.00 C ATOM 541 CD ARG A 38 -10.833 -5.654 -5.042 1.00 0.00 C ATOM 542 NE ARG A 38 -9.935 -6.091 -6.117 1.00 0.00 N ATOM 543 CZ ARG A 38 -10.316 -6.315 -7.377 1.00 0.00 C ATOM 544 NH1 ARG A 38 -11.598 -6.271 -7.711 1.00 0.00 N ATOM 545 NH2 ARG A 38 -9.412 -6.618 -8.303 1.00 0.00 N ATOM 0 H ARG A 38 -11.269 -2.485 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.635 -4.910 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.646 -5.163 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.290 -3.711 -3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.127 -4.873 -4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.778 -6.342 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.590 -6.417 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.359 -4.749 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.952 -6.234 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.303 -6.065 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.880 -6.443 -8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.425 -6.680 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.705 -6.789 -9.265 1.00 0.00 H new ATOM 559 N VAL A 39 -7.562 -3.949 -1.990 1.00 0.00 N ATOM 560 CA VAL A 39 -6.345 -3.449 -2.608 1.00 0.00 C ATOM 561 C VAL A 39 -6.156 -4.110 -3.968 1.00 0.00 C ATOM 562 O VAL A 39 -6.118 -5.338 -4.066 1.00 0.00 O ATOM 563 CB VAL A 39 -5.106 -3.718 -1.729 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.851 -3.139 -2.375 1.00 0.00 C ATOM 565 CG2 VAL A 39 -5.310 -3.148 -0.330 1.00 0.00 C ATOM 0 H VAL A 39 -7.432 -4.770 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.447 -2.370 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.973 -4.796 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.989 -3.340 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.698 -3.601 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.969 -2.062 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.426 -3.347 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.471 -2.072 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.179 -3.617 0.131 1.00 0.00 H new ATOM 575 N ALA A 40 -6.060 -3.298 -5.013 1.00 0.00 N ATOM 576 CA ALA A 40 -5.926 -3.814 -6.368 1.00 0.00 C ATOM 577 C ALA A 40 -4.594 -3.404 -6.991 1.00 0.00 C ATOM 578 O ALA A 40 -4.024 -4.138 -7.799 1.00 0.00 O ATOM 579 CB ALA A 40 -7.084 -3.333 -7.230 1.00 0.00 C ATOM 0 H ALA A 40 -6.072 -2.280 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.949 -4.903 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.973 -3.725 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.024 -3.685 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.086 -2.243 -7.262 1.00 0.00 H new ATOM 585 N ALA A 41 -4.093 -2.237 -6.606 1.00 0.00 N ATOM 586 CA ALA A 41 -2.858 -1.717 -7.175 1.00 0.00 C ATOM 587 C ALA A 41 -1.938 -1.177 -6.090 1.00 0.00 C ATOM 588 O ALA A 41 -2.380 -0.871 -4.981 1.00 0.00 O ATOM 589 CB ALA A 41 -3.167 -0.631 -8.195 1.00 0.00 C ATOM 0 H ALA A 41 -4.522 -1.635 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.343 -2.537 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.236 -0.250 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.781 -1.046 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.706 0.182 -7.709 1.00 0.00 H new ATOM 595 N LEU A 42 -0.659 -1.058 -6.415 1.00 0.00 N ATOM 596 CA LEU A 42 0.328 -0.548 -5.476 1.00 0.00 C ATOM 597 C LEU A 42 1.096 0.610 -6.096 1.00 0.00 C ATOM 598 O LEU A 42 1.449 0.568 -7.275 1.00 0.00 O ATOM 599 CB LEU A 42 1.314 -1.654 -5.081 1.00 0.00 C ATOM 600 CG LEU A 42 0.698 -2.884 -4.416 1.00 0.00 C ATOM 601 CD1 LEU A 42 1.770 -3.930 -4.154 1.00 0.00 C ATOM 602 CD2 LEU A 42 -0.001 -2.498 -3.122 1.00 0.00 C ATOM 0 H LEU A 42 -0.279 -1.310 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.197 -0.200 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.848 -1.976 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.055 -1.230 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.045 -3.309 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.319 -4.802 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.228 -4.226 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.532 -3.513 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.433 -3.387 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.720 -2.051 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.792 -1.779 -3.336 1.00 0.00 H new ATOM 614 N HIS A 43 1.340 1.650 -5.313 1.00 0.00 N ATOM 615 CA HIS A 43 2.167 2.756 -5.773 1.00 0.00 C ATOM 616 C HIS A 43 3.384 2.889 -4.879 1.00 0.00 C ATOM 617 O HIS A 43 3.255 2.970 -3.660 1.00 0.00 O ATOM 618 CB HIS A 43 1.380 4.071 -5.802 1.00 0.00 C ATOM 619 CG HIS A 43 2.151 5.218 -6.388 1.00 0.00 C ATOM 620 ND1 HIS A 43 2.126 5.533 -7.729 1.00 0.00 N ATOM 621 CD2 HIS A 43 2.969 6.128 -5.807 1.00 0.00 C ATOM 622 CE1 HIS A 43 2.895 6.583 -7.949 1.00 0.00 C ATOM 623 NE2 HIS A 43 3.420 6.965 -6.799 1.00 0.00 N ATOM 0 H HIS A 43 0.981 1.752 -4.364 1.00 0.00 H new ATOM 0 HA HIS A 43 2.488 2.542 -6.793 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.466 3.926 -6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.079 4.327 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.220 6.185 -4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.066 7.051 -8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.056 7.752 -6.669 1.00 0.00 H new ATOM 632 N ARG A 44 4.557 2.901 -5.492 1.00 0.00 N ATOM 633 CA ARG A 44 5.809 2.979 -4.755 1.00 0.00 C ATOM 634 C ARG A 44 6.158 4.436 -4.456 1.00 0.00 C ATOM 635 O ARG A 44 5.996 5.307 -5.313 1.00 0.00 O ATOM 636 CB ARG A 44 6.938 2.323 -5.559 1.00 0.00 C ATOM 637 CG ARG A 44 6.498 1.082 -6.327 1.00 0.00 C ATOM 638 CD ARG A 44 7.669 0.388 -7.006 1.00 0.00 C ATOM 639 NE ARG A 44 7.253 -0.338 -8.210 1.00 0.00 N ATOM 640 CZ ARG A 44 7.037 -1.655 -8.270 1.00 0.00 C ATOM 641 NH1 ARG A 44 7.158 -2.409 -7.186 1.00 0.00 N ATOM 642 NH2 ARG A 44 6.689 -2.216 -9.419 1.00 0.00 N ATOM 0 H ARG A 44 4.669 2.857 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 44 5.691 2.446 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.342 3.051 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.747 2.052 -4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.011 0.386 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.758 1.363 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.425 1.127 -7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.134 -0.306 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 44 7.119 0.202 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.418 -1.984 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.991 -3.414 -7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.586 -1.642 -10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.524 -3.221 -9.466 1.00 0.00 H new ATOM 656 N ALA A 45 6.614 4.700 -3.239 1.00 0.00 N ATOM 657 CA ALA A 45 7.001 6.047 -2.841 1.00 0.00 C ATOM 658 C ALA A 45 8.427 6.345 -3.283 1.00 0.00 C ATOM 659 O ALA A 45 9.356 5.610 -2.944 1.00 0.00 O ATOM 660 CB ALA A 45 6.861 6.214 -1.336 1.00 0.00 C ATOM 0 H ALA A 45 6.725 3.997 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 45 6.336 6.758 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.154 7.225 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.825 6.042 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.504 5.495 -0.829 1.00 0.00 H new ATOM 962 N ASP A 63 5.109 13.170 -2.291 1.00 0.00 N ATOM 963 CA ASP A 63 5.037 11.731 -2.527 1.00 0.00 C ATOM 964 C ASP A 63 3.597 11.228 -2.505 1.00 0.00 C ATOM 965 O ASP A 63 3.231 10.338 -3.278 1.00 0.00 O ATOM 966 CB ASP A 63 5.866 10.972 -1.484 1.00 0.00 C ATOM 967 CG ASP A 63 7.328 11.375 -1.488 1.00 0.00 C ATOM 968 OD1 ASP A 63 8.105 10.827 -2.296 1.00 0.00 O ATOM 969 OD2 ASP A 63 7.710 12.249 -0.677 1.00 0.00 O ATOM 0 HA ASP A 63 5.447 11.545 -3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.447 11.151 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.788 9.902 -1.674 1.00 0.00 H new ATOM 974 N TYR A 64 2.774 11.796 -1.626 1.00 0.00 N ATOM 975 CA TYR A 64 1.391 11.354 -1.503 1.00 0.00 C ATOM 976 C TYR A 64 0.590 11.742 -2.736 1.00 0.00 C ATOM 977 O TYR A 64 -0.156 10.929 -3.274 1.00 0.00 O ATOM 978 CB TYR A 64 0.704 11.922 -0.255 1.00 0.00 C ATOM 979 CG TYR A 64 -0.778 11.613 -0.240 1.00 0.00 C ATOM 980 CD1 TYR A 64 -1.238 10.340 0.083 1.00 0.00 C ATOM 981 CD2 TYR A 64 -1.715 12.579 -0.598 1.00 0.00 C ATOM 982 CE1 TYR A 64 -2.587 10.040 0.052 1.00 0.00 C ATOM 983 CE2 TYR A 64 -3.063 12.283 -0.641 1.00 0.00 C ATOM 984 CZ TYR A 64 -3.495 11.012 -0.312 1.00 0.00 C ATOM 985 OH TYR A 64 -4.838 10.710 -0.364 1.00 0.00 O ATOM 0 H TYR A 64 3.038 12.554 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 64 1.421 10.269 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.171 11.507 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.851 13.001 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.530 9.574 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.382 13.576 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.928 9.049 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.776 13.041 -0.930 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.153 10.779 -1.289 1.00 0.00 H new ATOM 995 N ARG A 65 0.744 12.982 -3.178 1.00 0.00 N ATOM 996 CA ARG A 65 -0.009 13.482 -4.314 1.00 0.00 C ATOM 997 C ARG A 65 0.222 12.623 -5.548 1.00 0.00 C ATOM 998 O ARG A 65 -0.699 12.358 -6.311 1.00 0.00 O ATOM 999 CB ARG A 65 0.369 14.927 -4.602 1.00 0.00 C ATOM 1000 CG ARG A 65 0.058 15.873 -3.455 1.00 0.00 C ATOM 1001 CD ARG A 65 0.183 17.326 -3.874 1.00 0.00 C ATOM 1002 NE ARG A 65 -1.011 17.785 -4.581 1.00 0.00 N ATOM 1003 CZ ARG A 65 -0.997 18.450 -5.726 1.00 0.00 C ATOM 1004 NH1 ARG A 65 0.155 18.757 -6.308 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -2.142 18.824 -6.277 1.00 0.00 N ATOM 0 H ARG A 65 1.385 13.659 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.069 13.435 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.434 14.978 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.161 15.262 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.953 15.685 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.737 15.674 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.347 17.947 -2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.056 17.447 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.918 17.579 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.035 18.481 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.160 19.269 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.026 18.599 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.140 19.337 -7.159 1.00 0.00 H new ATOM 1019 N ALA A 66 1.458 12.186 -5.730 1.00 0.00 N ATOM 1020 CA ALA A 66 1.798 11.295 -6.833 1.00 0.00 C ATOM 1021 C ALA A 66 1.096 9.945 -6.690 1.00 0.00 C ATOM 1022 O ALA A 66 0.687 9.333 -7.679 1.00 0.00 O ATOM 1023 CB ALA A 66 3.306 11.112 -6.923 1.00 0.00 C ATOM 0 H ALA A 66 2.244 12.433 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 66 1.449 11.754 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.543 10.444 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.781 12.079 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.676 10.681 -5.993 1.00 0.00 H new ATOM 1029 N ALA A 67 0.960 9.483 -5.457 1.00 0.00 N ATOM 1030 CA ALA A 67 0.246 8.244 -5.184 1.00 0.00 C ATOM 1031 C ALA A 67 -1.245 8.422 -5.445 1.00 0.00 C ATOM 1032 O ALA A 67 -1.898 7.549 -6.021 1.00 0.00 O ATOM 1033 CB ALA A 67 0.490 7.802 -3.748 1.00 0.00 C ATOM 0 H ALA A 67 1.334 9.947 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 67 0.621 7.469 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.049 6.874 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.557 7.640 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.137 8.575 -3.065 1.00 0.00 H new ATOM 1039 N ASP A 68 -1.765 9.569 -5.037 1.00 0.00 N ATOM 1040 CA ASP A 68 -3.178 9.885 -5.203 1.00 0.00 C ATOM 1041 C ASP A 68 -3.509 10.065 -6.681 1.00 0.00 C ATOM 1042 O ASP A 68 -4.569 9.651 -7.153 1.00 0.00 O ATOM 1043 CB ASP A 68 -3.518 11.154 -4.415 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.007 11.419 -4.315 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -5.575 12.038 -5.244 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.617 11.029 -3.294 1.00 0.00 O ATOM 0 H ASP A 68 -1.224 10.305 -4.583 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.778 9.060 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.103 11.071 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.035 12.008 -4.890 1.00 0.00 H new ATOM 1051 N ALA A 69 -2.581 10.676 -7.406 1.00 0.00 N ATOM 1052 CA ALA A 69 -2.731 10.868 -8.842 1.00 0.00 C ATOM 1053 C ALA A 69 -2.804 9.526 -9.567 1.00 0.00 C ATOM 1054 O ALA A 69 -3.618 9.346 -10.473 1.00 0.00 O ATOM 1055 CB ALA A 69 -1.582 11.699 -9.389 1.00 0.00 C ATOM 0 H ALA A 69 -1.713 11.048 -7.021 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.665 11.402 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.709 11.833 -10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.573 12.673 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.639 11.187 -9.196 1.00 0.00 H new ATOM 1061 N ALA A 70 -1.954 8.591 -9.151 1.00 0.00 N ATOM 1062 CA ALA A 70 -1.922 7.250 -9.737 1.00 0.00 C ATOM 1063 C ALA A 70 -3.230 6.517 -9.486 1.00 0.00 C ATOM 1064 O ALA A 70 -3.667 5.703 -10.303 1.00 0.00 O ATOM 1065 CB ALA A 70 -0.753 6.455 -9.176 1.00 0.00 C ATOM 0 H ALA A 70 -1.273 8.737 -8.406 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.791 7.352 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.743 5.460 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.181 6.967 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.858 6.367 -8.095 1.00 0.00 H new ATOM 1071 N ALA A 71 -3.848 6.799 -8.349 1.00 0.00 N ATOM 1072 CA ALA A 71 -5.153 6.247 -8.043 1.00 0.00 C ATOM 1073 C ALA A 71 -6.181 6.776 -9.028 1.00 0.00 C ATOM 1074 O ALA A 71 -6.933 6.005 -9.618 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.555 6.583 -6.615 1.00 0.00 C ATOM 0 H ALA A 71 -3.465 7.407 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.106 5.162 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.537 6.160 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.824 6.165 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.592 7.665 -6.493 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.183 8.092 -9.223 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.091 8.731 -10.171 1.00 0.00 C ATOM 1083 C GLN A 72 -6.854 8.207 -11.588 1.00 0.00 C ATOM 1084 O GLN A 72 -7.803 8.030 -12.356 1.00 0.00 O ATOM 1085 CB GLN A 72 -6.922 10.252 -10.124 1.00 0.00 C ATOM 1086 CG GLN A 72 -7.422 10.878 -8.829 1.00 0.00 C ATOM 1087 CD GLN A 72 -8.926 10.742 -8.659 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -9.676 10.711 -9.638 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -9.380 10.664 -7.417 1.00 0.00 N ATOM 0 H GLN A 72 -5.563 8.739 -8.735 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.114 8.485 -9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.868 10.497 -10.253 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.458 10.695 -10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.920 10.407 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.152 11.934 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.728 10.693 -6.633 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.381 10.575 -7.245 1.00 0.00 H new ATOM 1098 N GLU A 73 -5.591 7.949 -11.920 1.00 0.00 N ATOM 1099 CA GLU A 73 -5.231 7.352 -13.200 1.00 0.00 C ATOM 1100 C GLU A 73 -5.993 6.052 -13.431 1.00 0.00 C ATOM 1101 O GLU A 73 -6.502 5.792 -14.522 1.00 0.00 O ATOM 1102 CB GLU A 73 -3.735 7.052 -13.237 1.00 0.00 C ATOM 1103 CG GLU A 73 -2.843 8.271 -13.374 1.00 0.00 C ATOM 1104 CD GLU A 73 -1.404 7.874 -13.623 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -0.725 7.446 -12.667 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -0.952 7.950 -14.786 1.00 0.00 O ATOM 0 H GLU A 73 -4.795 8.147 -11.313 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.491 8.065 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.463 6.521 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.535 6.378 -14.070 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.198 8.894 -14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.905 8.873 -12.468 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.066 5.251 -12.382 1.00 0.00 N ATOM 1114 CA GLN A 74 -6.660 3.925 -12.451 1.00 0.00 C ATOM 1115 C GLN A 74 -8.128 3.925 -12.019 1.00 0.00 C ATOM 1116 O GLN A 74 -8.766 2.871 -11.966 1.00 0.00 O ATOM 1117 CB GLN A 74 -5.851 2.988 -11.564 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.503 2.614 -12.164 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.589 1.916 -11.177 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -2.791 1.056 -11.553 1.00 0.00 O ATOM 1121 NE2 GLN A 74 -3.669 2.304 -9.914 1.00 0.00 N ATOM 0 H GLN A 74 -5.715 5.501 -11.457 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.638 3.588 -13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.692 3.461 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.427 2.080 -11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.662 1.965 -13.025 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.012 3.515 -12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.343 3.019 -9.642 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.056 1.888 -9.213 1.00 0.00 H new ATOM 1130 N GLY A 75 -8.656 5.104 -11.709 1.00 0.00 N ATOM 1131 CA GLY A 75 -10.035 5.211 -11.254 1.00 0.00 C ATOM 1132 C GLY A 75 -10.233 4.599 -9.880 1.00 0.00 C ATOM 1133 O GLY A 75 -11.322 4.133 -9.544 1.00 0.00 O ATOM 0 H GLY A 75 -8.155 5.991 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.327 6.261 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.691 4.715 -11.969 1.00 0.00 H new ATOM 1137 N LEU A 76 -9.171 4.603 -9.092 1.00 0.00 N ATOM 1138 CA LEU A 76 -9.188 4.032 -7.754 1.00 0.00 C ATOM 1139 C LEU A 76 -8.931 5.125 -6.730 1.00 0.00 C ATOM 1140 O LEU A 76 -8.857 6.305 -7.080 1.00 0.00 O ATOM 1141 CB LEU A 76 -8.109 2.951 -7.629 1.00 0.00 C ATOM 1142 CG LEU A 76 -8.212 1.796 -8.627 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -7.038 0.842 -8.458 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -9.527 1.050 -8.454 1.00 0.00 C ATOM 0 H LEU A 76 -8.272 5.002 -9.361 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.165 3.583 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.133 3.422 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.147 2.540 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.183 2.212 -9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.126 0.026 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.105 1.379 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.041 0.437 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.579 0.233 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.587 0.647 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.358 1.735 -8.622 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.804 4.740 -5.471 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.403 5.667 -4.424 1.00 0.00 C ATOM 1158 C ASP A 77 -7.489 4.963 -3.428 1.00 0.00 C ATOM 1159 O ASP A 77 -7.278 3.751 -3.522 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.616 6.292 -3.721 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.591 5.279 -3.152 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.435 4.895 -1.978 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -11.546 4.902 -3.870 1.00 0.00 O ATOM 0 H ASP A 77 -8.974 3.788 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.852 6.485 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.264 6.934 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.144 6.931 -4.429 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.925 5.726 -2.501 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.976 5.182 -1.544 1.00 0.00 C ATOM 1170 C VAL A 78 -6.719 4.556 -0.371 1.00 0.00 C ATOM 1171 O VAL A 78 -7.286 5.260 0.462 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.008 6.266 -1.022 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -3.894 5.642 -0.196 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.433 7.079 -2.176 1.00 0.00 C ATOM 0 H VAL A 78 -7.109 6.723 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.388 4.421 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.571 6.941 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.224 6.424 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.324 5.115 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.334 4.939 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.754 7.837 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.889 6.418 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.244 7.564 -2.719 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.714 3.231 -0.322 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.453 2.497 0.698 1.00 0.00 C ATOM 1186 C VAL A 79 -6.556 2.116 1.875 1.00 0.00 C ATOM 1187 O VAL A 79 -7.020 1.565 2.875 1.00 0.00 O ATOM 1188 CB VAL A 79 -8.100 1.219 0.117 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -9.157 1.577 -0.915 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -7.047 0.303 -0.492 1.00 0.00 C ATOM 0 H VAL A 79 -6.205 2.640 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.239 3.163 1.053 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.582 0.683 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.601 0.664 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.932 2.184 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.697 2.140 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.529 -0.589 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.528 0.828 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.329 0.013 0.275 1.00 0.00 H new ATOM 1200 N GLY A 80 -5.269 2.406 1.753 1.00 0.00 N ATOM 1201 CA GLY A 80 -4.341 2.087 2.816 1.00 0.00 C ATOM 1202 C GLY A 80 -2.917 2.456 2.474 1.00 0.00 C ATOM 1203 O GLY A 80 -2.656 3.036 1.422 1.00 0.00 O ATOM 0 H GLY A 80 -4.852 2.856 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.640 2.611 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.394 1.020 3.032 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.996 2.118 3.364 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.585 2.424 3.171 1.00 0.00 C ATOM 1209 C VAL A 81 0.258 1.251 3.653 1.00 0.00 C ATOM 1210 O VAL A 81 -0.164 0.493 4.528 1.00 0.00 O ATOM 1211 CB VAL A 81 -0.146 3.684 3.959 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.172 4.227 3.429 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -1.218 4.769 3.944 1.00 0.00 C ATOM 0 H VAL A 81 -2.202 1.628 4.234 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.439 2.610 2.107 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.003 3.379 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.457 5.111 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.946 3.466 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.059 4.494 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.868 5.634 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.422 5.065 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.131 4.385 4.398 1.00 0.00 H new ATOM 1223 N TYR A 82 1.449 1.111 3.105 1.00 0.00 N ATOM 1224 CA TYR A 82 2.369 0.087 3.562 1.00 0.00 C ATOM 1225 C TYR A 82 3.757 0.682 3.743 1.00 0.00 C ATOM 1226 O TYR A 82 4.227 1.459 2.913 1.00 0.00 O ATOM 1227 CB TYR A 82 2.397 -1.126 2.613 1.00 0.00 C ATOM 1228 CG TYR A 82 2.833 -0.836 1.189 1.00 0.00 C ATOM 1229 CD1 TYR A 82 4.172 -0.914 0.822 1.00 0.00 C ATOM 1230 CD2 TYR A 82 1.905 -0.507 0.208 1.00 0.00 C ATOM 1231 CE1 TYR A 82 4.572 -0.669 -0.477 1.00 0.00 C ATOM 1232 CE2 TYR A 82 2.298 -0.264 -1.095 1.00 0.00 C ATOM 1233 CZ TYR A 82 3.633 -0.344 -1.431 1.00 0.00 C ATOM 1234 OH TYR A 82 4.029 -0.097 -2.726 1.00 0.00 O ATOM 0 H TYR A 82 1.802 1.692 2.344 1.00 0.00 H new ATOM 0 HA TYR A 82 2.017 -0.281 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.066 -1.877 3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.400 -1.566 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.912 -1.171 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.859 -0.440 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.617 -0.732 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.563 -0.013 -1.846 1.00 0.00 H new ATOM 0 HH TYR A 82 4.020 -0.934 -3.236 1.00 0.00 H new ATOM 1244 N HIS A 83 4.402 0.324 4.840 1.00 0.00 N ATOM 1245 CA HIS A 83 5.707 0.876 5.172 1.00 0.00 C ATOM 1246 C HIS A 83 6.593 -0.183 5.800 1.00 0.00 C ATOM 1247 O HIS A 83 6.164 -0.933 6.677 1.00 0.00 O ATOM 1248 CB HIS A 83 5.590 2.117 6.084 1.00 0.00 C ATOM 1249 CG HIS A 83 4.623 1.994 7.233 1.00 0.00 C ATOM 1250 ND1 HIS A 83 5.009 2.008 8.560 1.00 0.00 N ATOM 1251 CD2 HIS A 83 3.268 1.922 7.246 1.00 0.00 C ATOM 1252 CE1 HIS A 83 3.940 1.948 9.329 1.00 0.00 C ATOM 1253 NE2 HIS A 83 2.872 1.896 8.559 1.00 0.00 N ATOM 0 H HIS A 83 4.043 -0.348 5.518 1.00 0.00 H new ATOM 0 HA HIS A 83 6.172 1.204 4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.577 2.344 6.487 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.292 2.968 5.472 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.972 2.057 8.893 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.621 1.891 6.382 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.940 1.942 10.409 1.00 0.00 H new ATOM 1262 N SER A 84 7.826 -0.245 5.331 1.00 0.00 N ATOM 1263 CA SER A 84 8.765 -1.252 5.777 1.00 0.00 C ATOM 1264 C SER A 84 9.813 -0.637 6.691 1.00 0.00 C ATOM 1265 O SER A 84 10.425 0.377 6.355 1.00 0.00 O ATOM 1266 CB SER A 84 9.435 -1.903 4.566 1.00 0.00 C ATOM 1267 OG SER A 84 8.464 -2.428 3.675 1.00 0.00 O ATOM 0 H SER A 84 8.201 0.399 4.634 1.00 0.00 H new ATOM 0 HA SER A 84 8.225 -2.013 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.052 -1.169 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.100 -2.701 4.898 1.00 0.00 H new ATOM 0 HG SER A 84 8.913 -2.838 2.907 1.00 0.00 H new ATOM 1273 N HIS A 85 9.998 -1.241 7.851 1.00 0.00 N ATOM 1274 CA HIS A 85 11.014 -0.785 8.787 1.00 0.00 C ATOM 1275 C HIS A 85 11.943 -1.934 9.153 1.00 0.00 C ATOM 1276 O HIS A 85 11.513 -3.087 9.218 1.00 0.00 O ATOM 1277 CB HIS A 85 10.381 -0.168 10.051 1.00 0.00 C ATOM 1278 CG HIS A 85 9.396 -1.051 10.772 1.00 0.00 C ATOM 1279 ND1 HIS A 85 8.069 -0.713 10.940 1.00 0.00 N ATOM 1280 CD2 HIS A 85 9.554 -2.251 11.387 1.00 0.00 C ATOM 1281 CE1 HIS A 85 7.456 -1.664 11.619 1.00 0.00 C ATOM 1282 NE2 HIS A 85 8.330 -2.608 11.901 1.00 0.00 N ATOM 0 H HIS A 85 9.460 -2.047 8.169 1.00 0.00 H new ATOM 0 HA HIS A 85 11.597 -0.003 8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.179 0.100 10.744 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.878 0.757 9.771 1.00 0.00 H new ATOM 0 HD1 HIS A 85 7.630 0.140 10.593 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.470 -2.819 11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.412 -1.668 11.897 1.00 0.00 H new ATOM 1291 N PRO A 86 13.231 -1.637 9.351 1.00 0.00 N ATOM 1292 CA PRO A 86 14.213 -2.625 9.790 1.00 0.00 C ATOM 1293 C PRO A 86 14.071 -2.928 11.276 1.00 0.00 C ATOM 1294 O PRO A 86 13.518 -2.116 12.027 1.00 0.00 O ATOM 1295 CB PRO A 86 15.569 -1.955 9.508 1.00 0.00 C ATOM 1296 CG PRO A 86 15.258 -0.680 8.791 1.00 0.00 C ATOM 1297 CD PRO A 86 13.846 -0.323 9.151 1.00 0.00 C ATOM 0 HA PRO A 86 14.092 -3.579 9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.108 -1.760 10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.204 -2.600 8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.946 0.111 9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.364 -0.805 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.799 0.289 10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.354 0.239 8.357 1.00 0.00 H new ATOM 1305 N ASP A 87 14.568 -4.096 11.681 1.00 0.00 N ATOM 1306 CA ASP A 87 14.520 -4.542 13.076 1.00 0.00 C ATOM 1307 C ASP A 87 13.095 -4.910 13.496 1.00 0.00 C ATOM 1308 O ASP A 87 12.116 -4.375 12.967 1.00 0.00 O ATOM 1309 CB ASP A 87 15.111 -3.480 14.016 1.00 0.00 C ATOM 1310 CG ASP A 87 15.160 -3.932 15.460 1.00 0.00 C ATOM 1311 OD1 ASP A 87 15.801 -4.967 15.742 1.00 0.00 O ATOM 1312 OD2 ASP A 87 14.576 -3.248 16.321 1.00 0.00 O ATOM 0 H ASP A 87 15.016 -4.762 11.052 1.00 0.00 H new ATOM 0 HA ASP A 87 15.131 -5.441 13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.119 -3.229 13.685 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.517 -2.569 13.946 1.00 0.00 H new ATOM 1317 N HIS A 88 13.003 -5.825 14.463 1.00 0.00 N ATOM 1318 CA HIS A 88 11.731 -6.390 14.930 1.00 0.00 C ATOM 1319 C HIS A 88 11.077 -7.253 13.844 1.00 0.00 C ATOM 1320 O HIS A 88 11.144 -6.939 12.652 1.00 0.00 O ATOM 1321 CB HIS A 88 10.748 -5.291 15.375 1.00 0.00 C ATOM 1322 CG HIS A 88 11.259 -4.402 16.469 1.00 0.00 C ATOM 1323 ND1 HIS A 88 11.348 -3.032 16.336 1.00 0.00 N ATOM 1324 CD2 HIS A 88 11.685 -4.684 17.724 1.00 0.00 C ATOM 1325 CE1 HIS A 88 11.806 -2.512 17.460 1.00 0.00 C ATOM 1326 NE2 HIS A 88 12.017 -3.491 18.317 1.00 0.00 N ATOM 0 H HIS A 88 13.817 -6.200 14.950 1.00 0.00 H new ATOM 0 HA HIS A 88 11.963 -7.016 15.792 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.497 -4.675 14.512 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.824 -5.762 15.710 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.751 -5.664 18.174 1.00 0.00 H new ATOM 0 HE1 HIS A 88 11.979 -1.462 17.646 1.00 0.00 H new ATOM 0 HE2 HIS A 88 12.370 -3.380 19.268 1.00 0.00 H new ATOM 1335 N PRO A 89 10.432 -8.360 14.242 1.00 0.00 N ATOM 1336 CA PRO A 89 9.731 -9.245 13.314 1.00 0.00 C ATOM 1337 C PRO A 89 8.372 -8.680 12.924 1.00 0.00 C ATOM 1338 O PRO A 89 7.342 -9.093 13.460 1.00 0.00 O ATOM 1339 CB PRO A 89 9.564 -10.556 14.103 1.00 0.00 C ATOM 1340 CG PRO A 89 10.238 -10.338 15.423 1.00 0.00 C ATOM 1341 CD PRO A 89 10.340 -8.853 15.616 1.00 0.00 C ATOM 0 HA PRO A 89 10.277 -9.376 12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.510 -10.797 14.239 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.015 -11.392 13.569 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.665 -10.795 16.230 1.00 0.00 H new ATOM 0 HG3 PRO A 89 11.226 -10.798 15.434 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.469 -8.451 16.134 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.216 -8.580 16.205 1.00 0.00 H new ATOM 1349 N ALA A 90 8.393 -7.706 12.013 1.00 0.00 N ATOM 1350 CA ALA A 90 7.185 -7.015 11.573 1.00 0.00 C ATOM 1351 C ALA A 90 6.527 -6.309 12.753 1.00 0.00 C ATOM 1352 O ALA A 90 7.211 -5.955 13.716 1.00 0.00 O ATOM 1353 CB ALA A 90 6.220 -7.981 10.903 1.00 0.00 C ATOM 0 H ALA A 90 9.246 -7.376 11.562 1.00 0.00 H new ATOM 0 HA ALA A 90 7.463 -6.264 10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.328 -7.442 10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.701 -8.432 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.939 -8.762 11.609 1.00 0.00 H new ATOM 1359 N ARG A 91 5.211 -6.094 12.661 1.00 0.00 N ATOM 1360 CA ARG A 91 4.448 -5.415 13.702 1.00 0.00 C ATOM 1361 C ARG A 91 4.867 -3.948 13.853 1.00 0.00 C ATOM 1362 O ARG A 91 6.022 -3.582 13.610 1.00 0.00 O ATOM 1363 CB ARG A 91 4.589 -6.154 15.035 1.00 0.00 C ATOM 1364 CG ARG A 91 3.874 -7.496 15.071 1.00 0.00 C ATOM 1365 CD ARG A 91 4.060 -8.196 16.408 1.00 0.00 C ATOM 1366 NE ARG A 91 5.346 -8.890 16.505 1.00 0.00 N ATOM 1367 CZ ARG A 91 6.195 -8.752 17.523 1.00 0.00 C ATOM 1368 NH1 ARG A 91 5.983 -7.831 18.458 1.00 0.00 N ATOM 1369 NH2 ARG A 91 7.275 -9.518 17.583 1.00 0.00 N ATOM 0 H ARG A 91 4.649 -6.387 11.862 1.00 0.00 H new ATOM 0 HA ARG A 91 3.401 -5.425 13.401 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.647 -6.311 15.243 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.198 -5.523 15.833 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.811 -7.347 14.883 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.253 -8.132 14.271 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.985 -7.463 17.211 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.252 -8.913 16.554 1.00 0.00 H new ATOM 0 HE ARG A 91 5.608 -9.518 15.746 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.166 -7.224 18.399 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.638 -7.732 19.234 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.452 -10.208 16.853 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.929 -9.418 18.359 1.00 0.00 H new ATOM 1383 N PRO A 92 3.917 -3.078 14.225 1.00 0.00 N ATOM 1384 CA PRO A 92 4.196 -1.656 14.439 1.00 0.00 C ATOM 1385 C PRO A 92 5.188 -1.433 15.577 1.00 0.00 C ATOM 1386 O PRO A 92 4.993 -1.915 16.696 1.00 0.00 O ATOM 1387 CB PRO A 92 2.828 -1.060 14.794 1.00 0.00 C ATOM 1388 CG PRO A 92 2.002 -2.217 15.236 1.00 0.00 C ATOM 1389 CD PRO A 92 2.500 -3.402 14.459 1.00 0.00 C ATOM 0 HA PRO A 92 4.652 -1.196 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.916 -0.314 15.584 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.380 -0.562 13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.105 -2.383 16.308 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.945 -2.039 15.041 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.386 -4.329 15.021 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.956 -3.528 13.523 1.00 0.00 H new ATOM 1397 N SER A 93 6.264 -0.727 15.274 1.00 0.00 N ATOM 1398 CA SER A 93 7.260 -0.382 16.276 1.00 0.00 C ATOM 1399 C SER A 93 6.837 0.892 17.004 1.00 0.00 C ATOM 1400 O SER A 93 5.813 1.479 16.666 1.00 0.00 O ATOM 1401 CB SER A 93 8.626 -0.218 15.608 1.00 0.00 C ATOM 1402 OG SER A 93 8.960 -1.385 14.870 1.00 0.00 O ATOM 0 H SER A 93 6.471 -0.380 14.338 1.00 0.00 H new ATOM 0 HA SER A 93 7.338 -1.181 17.013 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.612 0.647 14.945 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.387 -0.028 16.365 1.00 0.00 H new ATOM 0 HG SER A 93 9.681 -1.866 15.327 1.00 0.00 H new ATOM 1408 N ALA A 94 7.618 1.324 17.987 1.00 0.00 N ATOM 1409 CA ALA A 94 7.212 2.435 18.844 1.00 0.00 C ATOM 1410 C ALA A 94 7.008 3.728 18.056 1.00 0.00 C ATOM 1411 O ALA A 94 5.969 4.370 18.179 1.00 0.00 O ATOM 1412 CB ALA A 94 8.229 2.650 19.952 1.00 0.00 C ATOM 0 H ALA A 94 8.530 0.926 18.211 1.00 0.00 H new ATOM 0 HA ALA A 94 6.252 2.167 19.284 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.911 3.481 20.581 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.305 1.746 20.556 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.201 2.877 19.514 1.00 0.00 H new ATOM 1418 N THR A 95 7.975 4.088 17.223 1.00 0.00 N ATOM 1419 CA THR A 95 7.879 5.312 16.438 1.00 0.00 C ATOM 1420 C THR A 95 6.991 5.079 15.220 1.00 0.00 C ATOM 1421 O THR A 95 6.258 5.967 14.778 1.00 0.00 O ATOM 1422 CB THR A 95 9.275 5.780 15.979 1.00 0.00 C ATOM 1423 OG1 THR A 95 10.178 5.774 17.094 1.00 0.00 O ATOM 1424 CG2 THR A 95 9.216 7.179 15.385 1.00 0.00 C ATOM 0 H THR A 95 8.831 3.553 17.073 1.00 0.00 H new ATOM 0 HA THR A 95 7.441 6.088 17.066 1.00 0.00 H new ATOM 0 HB THR A 95 9.628 5.092 15.211 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.064 6.070 16.799 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.214 7.483 15.070 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.548 7.181 14.524 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.844 7.877 16.135 1.00 0.00 H new ATOM 1432 N ASP A 96 7.055 3.855 14.709 1.00 0.00 N ATOM 1433 CA ASP A 96 6.262 3.434 13.560 1.00 0.00 C ATOM 1434 C ASP A 96 4.769 3.564 13.873 1.00 0.00 C ATOM 1435 O ASP A 96 3.988 4.040 13.050 1.00 0.00 O ATOM 1436 CB ASP A 96 6.626 1.983 13.219 1.00 0.00 C ATOM 1437 CG ASP A 96 6.015 1.476 11.926 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.646 1.646 10.854 1.00 0.00 O ATOM 1439 OD2 ASP A 96 4.943 0.850 11.981 1.00 0.00 O ATOM 0 H ASP A 96 7.661 3.124 15.081 1.00 0.00 H new ATOM 0 HA ASP A 96 6.478 4.071 12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.711 1.898 13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.305 1.338 14.037 1.00 0.00 H new ATOM 1444 N LEU A 97 4.397 3.157 15.085 1.00 0.00 N ATOM 1445 CA LEU A 97 3.022 3.260 15.567 1.00 0.00 C ATOM 1446 C LEU A 97 2.650 4.721 15.815 1.00 0.00 C ATOM 1447 O LEU A 97 1.554 5.162 15.468 1.00 0.00 O ATOM 1448 CB LEU A 97 2.879 2.440 16.861 1.00 0.00 C ATOM 1449 CG LEU A 97 1.449 2.075 17.287 1.00 0.00 C ATOM 1450 CD1 LEU A 97 1.472 0.911 18.264 1.00 0.00 C ATOM 1451 CD2 LEU A 97 0.735 3.260 17.918 1.00 0.00 C ATOM 0 H LEU A 97 5.041 2.746 15.761 1.00 0.00 H new ATOM 0 HA LEU A 97 2.343 2.864 14.812 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.446 1.517 16.744 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.344 2.999 17.673 1.00 0.00 H new ATOM 0 HG LEU A 97 0.901 1.786 16.390 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.452 0.662 18.558 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.934 0.046 17.788 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.047 1.189 19.148 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.274 2.965 18.207 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.284 3.588 18.801 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.682 4.078 17.199 1.00 0.00 H new ATOM 1463 N GLU A 98 3.578 5.467 16.406 1.00 0.00 N ATOM 1464 CA GLU A 98 3.333 6.852 16.801 1.00 0.00 C ATOM 1465 C GLU A 98 2.929 7.737 15.626 1.00 0.00 C ATOM 1466 O GLU A 98 2.045 8.586 15.759 1.00 0.00 O ATOM 1467 CB GLU A 98 4.575 7.429 17.474 1.00 0.00 C ATOM 1468 CG GLU A 98 4.689 7.071 18.945 1.00 0.00 C ATOM 1469 CD GLU A 98 3.646 7.763 19.798 1.00 0.00 C ATOM 1470 OE1 GLU A 98 3.822 8.962 20.093 1.00 0.00 O ATOM 1471 OE2 GLU A 98 2.648 7.115 20.180 1.00 0.00 O ATOM 0 H GLU A 98 4.516 5.132 16.624 1.00 0.00 H new ATOM 0 HA GLU A 98 2.497 6.840 17.500 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.462 7.070 16.951 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.562 8.514 17.372 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.589 5.992 19.061 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.682 7.340 19.304 1.00 0.00 H new ATOM 1478 N GLU A 99 3.556 7.537 14.477 1.00 0.00 N ATOM 1479 CA GLU A 99 3.316 8.407 13.335 1.00 0.00 C ATOM 1480 C GLU A 99 2.216 7.873 12.421 1.00 0.00 C ATOM 1481 O GLU A 99 1.978 8.414 11.340 1.00 0.00 O ATOM 1482 CB GLU A 99 4.609 8.643 12.557 1.00 0.00 C ATOM 1483 CG GLU A 99 5.611 9.483 13.331 1.00 0.00 C ATOM 1484 CD GLU A 99 6.763 9.969 12.479 1.00 0.00 C ATOM 1485 OE1 GLU A 99 6.525 10.372 11.319 1.00 0.00 O ATOM 1486 OE2 GLU A 99 7.912 9.971 12.972 1.00 0.00 O ATOM 0 H GLU A 99 4.228 6.788 14.311 1.00 0.00 H new ATOM 0 HA GLU A 99 2.965 9.363 13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.060 7.682 12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.376 9.138 11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.098 10.343 13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.004 8.896 14.161 1.00 0.00 H new ATOM 1493 N ALA A 100 1.531 6.827 12.860 1.00 0.00 N ATOM 1494 CA ALA A 100 0.364 6.334 12.142 1.00 0.00 C ATOM 1495 C ALA A 100 -0.869 7.113 12.584 1.00 0.00 C ATOM 1496 O ALA A 100 -1.696 6.622 13.349 1.00 0.00 O ATOM 1497 CB ALA A 100 0.177 4.839 12.367 1.00 0.00 C ATOM 0 H ALA A 100 1.761 6.305 13.706 1.00 0.00 H new ATOM 0 HA ALA A 100 0.514 6.485 11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.701 4.496 11.820 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.058 4.305 12.011 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.040 4.645 13.431 1.00 0.00 H new ATOM 1503 N THR A 101 -0.968 8.348 12.115 1.00 0.00 N ATOM 1504 CA THR A 101 -1.987 9.265 12.598 1.00 0.00 C ATOM 1505 C THR A 101 -3.110 9.464 11.574 1.00 0.00 C ATOM 1506 O THR A 101 -3.867 10.432 11.652 1.00 0.00 O ATOM 1507 CB THR A 101 -1.351 10.629 12.925 1.00 0.00 C ATOM 1508 OG1 THR A 101 0.022 10.446 13.313 1.00 0.00 O ATOM 1509 CG2 THR A 101 -2.101 11.330 14.052 1.00 0.00 C ATOM 0 H THR A 101 -0.354 8.738 11.400 1.00 0.00 H new ATOM 0 HA THR A 101 -2.422 8.827 13.496 1.00 0.00 H new ATOM 0 HB THR A 101 -1.407 11.250 12.031 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.423 11.316 13.518 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.629 12.290 14.261 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.137 11.492 13.754 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.074 10.710 14.948 1.00 0.00 H new ATOM 1517 N PHE A 102 -3.234 8.541 10.627 1.00 0.00 N ATOM 1518 CA PHE A 102 -4.235 8.670 9.570 1.00 0.00 C ATOM 1519 C PHE A 102 -5.221 7.503 9.581 1.00 0.00 C ATOM 1520 O PHE A 102 -5.014 6.495 8.904 1.00 0.00 O ATOM 1521 CB PHE A 102 -3.566 8.785 8.198 1.00 0.00 C ATOM 1522 CG PHE A 102 -2.721 10.017 8.044 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -3.300 11.231 7.709 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -1.349 9.966 8.249 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -2.528 12.369 7.575 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -0.574 11.102 8.118 1.00 0.00 C ATOM 1527 CZ PHE A 102 -1.165 12.305 7.782 1.00 0.00 C ATOM 0 H PHE A 102 -2.659 7.700 10.568 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.796 9.584 9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.945 7.905 8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.336 8.783 7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.367 11.288 7.551 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.883 9.029 8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.991 13.308 7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.493 11.050 8.278 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.561 13.194 7.681 1.00 0.00 H new ATOM 1537 N PRO A 103 -6.294 7.613 10.382 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.331 6.579 10.473 1.00 0.00 C ATOM 1539 C PRO A 103 -8.093 6.421 9.161 1.00 0.00 C ATOM 1540 O PRO A 103 -8.138 7.341 8.338 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.268 7.087 11.578 1.00 0.00 C ATOM 1542 CG PRO A 103 -7.501 8.152 12.285 1.00 0.00 C ATOM 1543 CD PRO A 103 -6.591 8.755 11.256 1.00 0.00 C ATOM 0 HA PRO A 103 -6.907 5.598 10.686 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.193 7.481 11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.544 6.283 12.260 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.171 8.904 12.703 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.930 7.736 13.116 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.075 9.566 10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.688 9.167 11.706 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.685 5.252 8.965 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.396 4.977 7.733 1.00 0.00 C ATOM 1553 C GLY A 104 -8.551 4.173 6.768 1.00 0.00 C ATOM 1554 O GLY A 104 -9.069 3.402 5.960 1.00 0.00 O ATOM 0 H GLY A 104 -8.686 4.487 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.313 4.432 7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.690 5.916 7.265 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.242 4.344 6.864 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.314 3.628 6.008 1.00 0.00 C ATOM 1560 C PHE A 105 -5.893 2.314 6.654 1.00 0.00 C ATOM 1561 O PHE A 105 -5.748 2.227 7.873 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.074 4.481 5.720 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.352 5.708 4.898 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -5.363 5.636 3.516 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.595 6.930 5.505 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -5.607 6.760 2.752 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -5.841 8.058 4.745 1.00 0.00 C ATOM 1568 CZ PHE A 105 -5.848 7.972 3.366 1.00 0.00 C ATOM 0 H PHE A 105 -6.798 4.976 7.530 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.822 3.414 5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.627 4.784 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.337 3.868 5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.179 4.690 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.592 7.002 6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.609 6.691 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.028 9.006 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.042 8.852 2.770 1.00 0.00 H new ATOM 1578 N THR A 106 -5.712 1.294 5.834 1.00 0.00 N ATOM 1579 CA THR A 106 -5.221 0.015 6.312 1.00 0.00 C ATOM 1580 C THR A 106 -3.702 -0.019 6.195 1.00 0.00 C ATOM 1581 O THR A 106 -3.145 0.355 5.163 1.00 0.00 O ATOM 1582 CB THR A 106 -5.837 -1.145 5.507 1.00 0.00 C ATOM 1583 OG1 THR A 106 -7.257 -0.957 5.401 1.00 0.00 O ATOM 1584 CG2 THR A 106 -5.549 -2.482 6.174 1.00 0.00 C ATOM 0 H THR A 106 -5.898 1.327 4.832 1.00 0.00 H new ATOM 0 HA THR A 106 -5.512 -0.104 7.356 1.00 0.00 H new ATOM 0 HB THR A 106 -5.389 -1.151 4.513 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.647 -1.695 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.994 -3.285 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.471 -2.633 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.975 -2.487 7.177 1.00 0.00 H new ATOM 1592 N TYR A 107 -3.032 -0.439 7.257 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.582 -0.402 7.295 1.00 0.00 C ATOM 1594 C TYR A 107 -0.986 -1.795 7.155 1.00 0.00 C ATOM 1595 O TYR A 107 -1.241 -2.678 7.971 1.00 0.00 O ATOM 1596 CB TYR A 107 -1.090 0.240 8.594 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.381 1.723 8.700 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -0.649 2.646 7.960 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -2.378 2.201 9.542 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -0.902 4.002 8.060 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -2.634 3.555 9.649 1.00 0.00 C ATOM 1602 CZ TYR A 107 -1.896 4.451 8.906 1.00 0.00 C ATOM 1603 OH TYR A 107 -2.148 5.800 9.011 1.00 0.00 O ATOM 0 H TYR A 107 -3.470 -0.808 8.101 1.00 0.00 H new ATOM 0 HA TYR A 107 -1.251 0.201 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.553 -0.271 9.438 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -0.014 0.085 8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.129 2.298 7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.963 1.503 10.123 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.325 4.706 7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.409 3.909 10.312 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.114 5.957 8.967 1.00 0.00 H new ATOM 1613 N VAL A 108 -0.195 -1.983 6.115 1.00 0.00 N ATOM 1614 CA VAL A 108 0.542 -3.221 5.935 1.00 0.00 C ATOM 1615 C VAL A 108 1.952 -3.059 6.476 1.00 0.00 C ATOM 1616 O VAL A 108 2.704 -2.176 6.048 1.00 0.00 O ATOM 1617 CB VAL A 108 0.597 -3.649 4.448 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.358 -4.958 4.286 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.806 -3.775 3.876 1.00 0.00 C ATOM 0 H VAL A 108 -0.046 -1.292 5.380 1.00 0.00 H new ATOM 0 HA VAL A 108 0.019 -4.003 6.485 1.00 0.00 H new ATOM 0 HB VAL A 108 1.129 -2.876 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.382 -5.237 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.377 -4.834 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.860 -5.741 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.747 -4.077 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.362 -4.524 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.316 -2.814 3.948 1.00 0.00 H new ATOM 1629 N ILE A 109 2.298 -3.906 7.427 1.00 0.00 N ATOM 1630 CA ILE A 109 3.596 -3.852 8.066 1.00 0.00 C ATOM 1631 C ILE A 109 4.424 -5.058 7.651 1.00 0.00 C ATOM 1632 O ILE A 109 4.045 -6.203 7.904 1.00 0.00 O ATOM 1633 CB ILE A 109 3.476 -3.837 9.607 1.00 0.00 C ATOM 1634 CG1 ILE A 109 2.566 -2.695 10.072 1.00 0.00 C ATOM 1635 CG2 ILE A 109 4.853 -3.717 10.242 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.052 -1.323 9.666 1.00 0.00 C ATOM 0 H ILE A 109 1.690 -4.647 7.776 1.00 0.00 H new ATOM 0 HA ILE A 109 4.080 -2.928 7.748 1.00 0.00 H new ATOM 0 HB ILE A 109 3.027 -4.778 9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 109 1.567 -2.851 9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.478 -2.732 11.158 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.754 -3.708 11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.468 -4.566 9.941 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.326 -2.792 9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.356 -0.568 10.031 1.00 0.00 H new ATOM 0 HD12 ILE A 109 4.038 -1.145 10.094 1.00 0.00 H new ATOM 0 HD13 ILE A 109 3.113 -1.265 8.579 1.00 0.00 H new ATOM 1648 N VAL A 110 5.543 -4.799 7.003 1.00 0.00 N ATOM 1649 CA VAL A 110 6.435 -5.857 6.578 1.00 0.00 C ATOM 1650 C VAL A 110 7.868 -5.518 6.949 1.00 0.00 C ATOM 1651 O VAL A 110 8.356 -4.420 6.670 1.00 0.00 O ATOM 1652 CB VAL A 110 6.310 -6.127 5.057 1.00 0.00 C ATOM 1653 CG1 VAL A 110 6.481 -4.848 4.250 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.312 -7.176 4.605 1.00 0.00 C ATOM 0 H VAL A 110 5.856 -3.859 6.759 1.00 0.00 H new ATOM 0 HA VAL A 110 6.146 -6.771 7.098 1.00 0.00 H new ATOM 0 HB VAL A 110 5.305 -6.509 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.388 -5.073 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.713 -4.131 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.466 -4.423 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.202 -7.346 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.323 -6.828 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.130 -8.108 5.141 1.00 0.00 H new ATOM 1664 N SER A 111 8.525 -6.453 7.606 1.00 0.00 N ATOM 1665 CA SER A 111 9.885 -6.246 8.048 1.00 0.00 C ATOM 1666 C SER A 111 10.858 -6.679 6.957 1.00 0.00 C ATOM 1667 O SER A 111 11.018 -7.872 6.691 1.00 0.00 O ATOM 1668 CB SER A 111 10.146 -7.027 9.335 1.00 0.00 C ATOM 1669 OG SER A 111 11.407 -6.698 9.892 1.00 0.00 O ATOM 0 H SER A 111 8.136 -7.365 7.845 1.00 0.00 H new ATOM 0 HA SER A 111 10.034 -5.185 8.250 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.360 -6.812 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.106 -8.096 9.128 1.00 0.00 H new ATOM 0 HG SER A 111 11.362 -6.768 10.868 1.00 0.00 H new ATOM 1675 N VAL A 112 11.486 -5.706 6.317 1.00 0.00 N ATOM 1676 CA VAL A 112 12.472 -5.981 5.288 1.00 0.00 C ATOM 1677 C VAL A 112 13.855 -5.713 5.852 1.00 0.00 C ATOM 1678 O VAL A 112 14.178 -4.584 6.220 1.00 0.00 O ATOM 1679 CB VAL A 112 12.248 -5.119 4.027 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.220 -5.517 2.930 1.00 0.00 C ATOM 1681 CG2 VAL A 112 10.810 -5.240 3.547 1.00 0.00 C ATOM 0 H VAL A 112 11.328 -4.714 6.494 1.00 0.00 H new ATOM 0 HA VAL A 112 12.374 -7.025 4.990 1.00 0.00 H new ATOM 0 HB VAL A 112 12.434 -4.076 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.047 -4.899 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.242 -5.373 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.069 -6.565 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.670 -4.626 2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.593 -6.281 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.135 -4.900 4.332 1.00 0.00 H new ATOM 1691 N ARG A 113 14.659 -6.757 5.937 1.00 0.00 N ATOM 1692 CA ARG A 113 15.939 -6.681 6.613 1.00 0.00 C ATOM 1693 C ARG A 113 17.048 -7.135 5.686 1.00 0.00 C ATOM 1694 O ARG A 113 17.005 -8.254 5.172 1.00 0.00 O ATOM 1695 CB ARG A 113 15.878 -7.542 7.872 1.00 0.00 C ATOM 1696 CG ARG A 113 14.822 -7.059 8.855 1.00 0.00 C ATOM 1697 CD ARG A 113 14.323 -8.175 9.757 1.00 0.00 C ATOM 1698 NE ARG A 113 15.347 -8.659 10.678 1.00 0.00 N ATOM 1699 CZ ARG A 113 15.288 -9.841 11.291 1.00 0.00 C ATOM 1700 NH1 ARG A 113 14.258 -10.652 11.071 1.00 0.00 N ATOM 1701 NH2 ARG A 113 16.245 -10.208 12.129 1.00 0.00 N ATOM 0 H ARG A 113 14.445 -7.673 5.543 1.00 0.00 H new ATOM 0 HA ARG A 113 16.154 -5.651 6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.666 -8.574 7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.853 -7.538 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.237 -6.258 9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.982 -6.636 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.466 -7.818 10.329 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.973 -9.004 9.142 1.00 0.00 H new ATOM 0 HE ARG A 113 16.152 -8.060 10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.514 -10.370 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.212 -11.557 11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.032 -9.585 12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.195 -11.114 12.595 1.00 0.00 H new ATOM 1715 N ASP A 114 18.001 -6.231 5.426 1.00 0.00 N ATOM 1716 CA ASP A 114 19.156 -6.511 4.557 1.00 0.00 C ATOM 1717 C ASP A 114 18.748 -6.593 3.081 1.00 0.00 C ATOM 1718 O ASP A 114 19.580 -6.478 2.177 1.00 0.00 O ATOM 1719 CB ASP A 114 19.837 -7.804 5.001 1.00 0.00 C ATOM 1720 CG ASP A 114 21.077 -8.140 4.202 1.00 0.00 C ATOM 1721 OD1 ASP A 114 22.163 -7.632 4.553 1.00 0.00 O ATOM 1722 OD2 ASP A 114 20.976 -8.931 3.242 1.00 0.00 O ATOM 0 H ASP A 114 17.995 -5.286 5.810 1.00 0.00 H new ATOM 0 HA ASP A 114 19.860 -5.684 4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 114 20.105 -7.721 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.127 -8.626 4.917 1.00 0.00 H new ATOM 1727 N GLY A 115 17.454 -6.750 2.853 1.00 0.00 N ATOM 1728 CA GLY A 115 16.928 -6.896 1.513 1.00 0.00 C ATOM 1729 C GLY A 115 15.852 -7.956 1.467 1.00 0.00 C ATOM 1730 O GLY A 115 15.118 -8.072 0.486 1.00 0.00 O ATOM 0 H GLY A 115 16.747 -6.779 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.521 -5.944 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.734 -7.161 0.829 1.00 0.00 H new ATOM 1734 N ALA A 116 15.750 -8.722 2.550 1.00 0.00 N ATOM 1735 CA ALA A 116 14.783 -9.804 2.632 1.00 0.00 C ATOM 1736 C ALA A 116 13.635 -9.452 3.572 1.00 0.00 C ATOM 1737 O ALA A 116 13.852 -9.161 4.749 1.00 0.00 O ATOM 1738 CB ALA A 116 15.465 -11.092 3.083 1.00 0.00 C ATOM 0 H ALA A 116 16.328 -8.610 3.383 1.00 0.00 H new ATOM 0 HA ALA A 116 14.365 -9.956 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.728 -11.893 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.241 -11.363 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.914 -10.942 4.065 1.00 0.00 H new ATOM 1744 N PRO A 117 12.399 -9.432 3.048 1.00 0.00 N ATOM 1745 CA PRO A 117 11.191 -9.256 3.852 1.00 0.00 C ATOM 1746 C PRO A 117 10.811 -10.547 4.566 1.00 0.00 C ATOM 1747 O PRO A 117 10.455 -11.537 3.927 1.00 0.00 O ATOM 1748 CB PRO A 117 10.111 -8.869 2.824 1.00 0.00 C ATOM 1749 CG PRO A 117 10.816 -8.750 1.509 1.00 0.00 C ATOM 1750 CD PRO A 117 12.072 -9.563 1.626 1.00 0.00 C ATOM 0 HA PRO A 117 11.321 -8.508 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.327 -9.625 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.632 -7.928 3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.189 -9.119 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.047 -7.709 1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 117 11.911 -10.602 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 117 12.867 -9.176 0.989 1.00 0.00 H new ATOM 1758 N GLU A 118 10.902 -10.541 5.887 1.00 0.00 N ATOM 1759 CA GLU A 118 10.644 -11.742 6.667 1.00 0.00 C ATOM 1760 C GLU A 118 9.152 -11.932 6.918 1.00 0.00 C ATOM 1761 O GLU A 118 8.533 -12.851 6.382 1.00 0.00 O ATOM 1762 CB GLU A 118 11.388 -11.687 8.002 1.00 0.00 C ATOM 1763 CG GLU A 118 11.211 -12.942 8.841 1.00 0.00 C ATOM 1764 CD GLU A 118 12.008 -12.908 10.128 1.00 0.00 C ATOM 1765 OE1 GLU A 118 13.181 -13.340 10.114 1.00 0.00 O ATOM 1766 OE2 GLU A 118 11.468 -12.458 11.159 1.00 0.00 O ATOM 0 H GLU A 118 11.152 -9.721 6.440 1.00 0.00 H new ATOM 0 HA GLU A 118 11.007 -12.592 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 118 12.450 -11.532 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.037 -10.826 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.154 -13.069 9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.513 -13.810 8.255 1.00 0.00 H new ATOM 1773 N ALA A 119 8.583 -11.063 7.733 1.00 0.00 N ATOM 1774 CA ALA A 119 7.195 -11.199 8.131 1.00 0.00 C ATOM 1775 C ALA A 119 6.326 -10.122 7.500 1.00 0.00 C ATOM 1776 O ALA A 119 6.643 -8.931 7.563 1.00 0.00 O ATOM 1777 CB ALA A 119 7.076 -11.157 9.644 1.00 0.00 C ATOM 0 H ALA A 119 9.061 -10.255 8.132 1.00 0.00 H new ATOM 0 HA ALA A 119 6.837 -12.165 7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 119 6.029 -11.260 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.653 -11.974 10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 119 7.461 -10.206 10.013 1.00 0.00 H new ATOM 1783 N LEU A 120 5.242 -10.560 6.877 1.00 0.00 N ATOM 1784 CA LEU A 120 4.256 -9.657 6.302 1.00 0.00 C ATOM 1785 C LEU A 120 2.985 -9.696 7.140 1.00 0.00 C ATOM 1786 O LEU A 120 2.412 -10.766 7.353 1.00 0.00 O ATOM 1787 CB LEU A 120 3.925 -10.038 4.851 1.00 0.00 C ATOM 1788 CG LEU A 120 5.054 -9.856 3.824 1.00 0.00 C ATOM 1789 CD1 LEU A 120 6.126 -10.928 3.976 1.00 0.00 C ATOM 1790 CD2 LEU A 120 4.488 -9.865 2.411 1.00 0.00 C ATOM 0 H LEU A 120 5.021 -11.548 6.756 1.00 0.00 H new ATOM 0 HA LEU A 120 4.675 -8.651 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.613 -11.082 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.070 -9.444 4.528 1.00 0.00 H new ATOM 0 HG LEU A 120 5.524 -8.890 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.908 -10.768 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.557 -10.872 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.681 -11.912 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.298 -9.735 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.988 -10.816 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.772 -9.051 2.301 1.00 0.00 H new ATOM 1802 N THR A 121 2.545 -8.542 7.613 1.00 0.00 N ATOM 1803 CA THR A 121 1.387 -8.475 8.489 1.00 0.00 C ATOM 1804 C THR A 121 0.495 -7.299 8.104 1.00 0.00 C ATOM 1805 O THR A 121 0.989 -6.218 7.801 1.00 0.00 O ATOM 1806 CB THR A 121 1.813 -8.336 9.968 1.00 0.00 C ATOM 1807 OG1 THR A 121 2.756 -7.262 10.119 1.00 0.00 O ATOM 1808 CG2 THR A 121 2.426 -9.626 10.494 1.00 0.00 C ATOM 0 H THR A 121 2.972 -7.639 7.405 1.00 0.00 H new ATOM 0 HA THR A 121 0.831 -9.405 8.373 1.00 0.00 H new ATOM 0 HB THR A 121 0.916 -8.118 10.548 1.00 0.00 H new ATOM 0 HG1 THR A 121 3.030 -6.940 9.235 1.00 0.00 H new ATOM 0 HG21 THR A 121 2.714 -9.493 11.537 1.00 0.00 H new ATOM 0 HG22 THR A 121 1.697 -10.432 10.419 1.00 0.00 H new ATOM 0 HG23 THR A 121 3.307 -9.878 9.903 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.813 -7.513 8.101 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.751 -6.446 7.781 1.00 0.00 C ATOM 1818 C ALA A 122 -2.519 -6.037 9.024 1.00 0.00 C ATOM 1819 O ALA A 122 -2.994 -6.890 9.780 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.703 -6.882 6.679 1.00 0.00 C ATOM 0 H ALA A 122 -1.247 -8.411 8.315 1.00 0.00 H new ATOM 0 HA ALA A 122 -1.190 -5.584 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.396 -6.071 6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.133 -7.131 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.263 -7.757 7.008 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.621 -4.737 9.241 1.00 0.00 N ATOM 1827 CA TRP A 123 -3.225 -4.213 10.450 1.00 0.00 C ATOM 1828 C TRP A 123 -4.215 -3.111 10.124 1.00 0.00 C ATOM 1829 O TRP A 123 -3.976 -2.280 9.244 1.00 0.00 O ATOM 1830 CB TRP A 123 -2.147 -3.646 11.375 1.00 0.00 C ATOM 1831 CG TRP A 123 -1.056 -4.613 11.710 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.049 -4.890 10.960 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.968 -5.429 12.877 1.00 0.00 C ATOM 1834 NE1 TRP A 123 0.826 -5.827 11.598 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.221 -6.174 12.778 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.779 -5.602 13.997 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 0.620 -7.077 13.761 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -1.387 -6.498 14.971 1.00 0.00 C ATOM 1839 CH2 TRP A 123 -0.197 -7.225 14.848 1.00 0.00 C ATOM 0 H TRP A 123 -2.291 -4.023 8.591 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.747 -5.032 10.945 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.706 -2.767 10.905 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -2.617 -3.311 12.300 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.279 -4.440 10.006 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.708 -6.203 11.250 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.698 -5.045 14.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 1.538 -7.638 13.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.009 -6.641 15.843 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.082 -7.918 15.628 1.00 0.00 H new ATOM 1850 N ALA A 124 -5.321 -3.100 10.837 1.00 0.00 N ATOM 1851 CA ALA A 124 -6.263 -2.009 10.738 1.00 0.00 C ATOM 1852 C ALA A 124 -6.136 -1.127 11.971 1.00 0.00 C ATOM 1853 O ALA A 124 -6.054 -1.624 13.097 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.682 -2.535 10.576 1.00 0.00 C ATOM 0 H ALA A 124 -5.589 -3.835 11.491 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.038 -1.413 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.375 -1.697 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.745 -3.138 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.943 -3.148 11.438 1.00 0.00 H new ATOM 1860 N LEU A 125 -6.080 0.173 11.753 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.879 1.124 12.836 1.00 0.00 C ATOM 1862 C LEU A 125 -7.205 1.474 13.498 1.00 0.00 C ATOM 1863 O LEU A 125 -8.229 1.598 12.826 1.00 0.00 O ATOM 1864 CB LEU A 125 -5.212 2.389 12.284 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.985 3.517 13.293 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -4.008 3.088 14.375 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.486 4.768 12.586 1.00 0.00 C ATOM 0 H LEU A 125 -6.171 0.599 10.831 1.00 0.00 H new ATOM 0 HA LEU A 125 -5.234 0.672 13.589 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.249 2.112 11.855 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.825 2.774 11.469 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.938 3.745 13.770 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.863 3.907 15.080 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.407 2.221 14.902 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.052 2.828 13.920 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.329 5.561 13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.545 4.550 12.080 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.225 5.091 11.853 1.00 0.00 H new ATOM 1879 N ALA A 126 -7.187 1.602 14.816 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.353 2.067 15.545 1.00 0.00 C ATOM 1881 C ALA A 126 -8.600 3.542 15.235 1.00 0.00 C ATOM 1882 O ALA A 126 -7.647 4.308 15.085 1.00 0.00 O ATOM 1883 CB ALA A 126 -8.151 1.865 17.038 1.00 0.00 C ATOM 0 H ALA A 126 -6.378 1.390 15.400 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.224 1.491 15.233 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.032 2.217 17.575 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.000 0.806 17.245 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.277 2.427 17.366 1.00 0.00 H new ATOM 1889 N PRO A 127 -9.872 3.956 15.113 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.233 5.352 14.825 1.00 0.00 C ATOM 1891 C PRO A 127 -9.566 6.339 15.782 1.00 0.00 C ATOM 1892 O PRO A 127 -9.088 7.398 15.371 1.00 0.00 O ATOM 1893 CB PRO A 127 -11.751 5.371 15.012 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.182 3.968 14.748 1.00 0.00 C ATOM 1895 CD PRO A 127 -11.061 3.091 15.232 1.00 0.00 C ATOM 0 HA PRO A 127 -9.906 5.658 13.831 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.022 5.686 16.020 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.226 6.068 14.322 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.110 3.740 15.272 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.369 3.811 13.686 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.220 2.767 16.260 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -10.965 2.191 14.625 1.00 0.00 H new ATOM 1903 N ASP A 128 -9.511 5.972 17.057 1.00 0.00 N ATOM 1904 CA ASP A 128 -8.918 6.832 18.075 1.00 0.00 C ATOM 1905 C ASP A 128 -7.415 6.607 18.164 1.00 0.00 C ATOM 1906 O ASP A 128 -6.736 7.230 18.981 1.00 0.00 O ATOM 1907 CB ASP A 128 -9.554 6.573 19.444 1.00 0.00 C ATOM 1908 CG ASP A 128 -11.045 6.823 19.457 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -11.462 7.975 19.695 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -11.816 5.862 19.241 1.00 0.00 O ATOM 0 H ASP A 128 -9.870 5.085 17.411 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.107 7.866 17.785 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -9.361 5.542 19.739 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.077 7.212 20.187 1.00 0.00 H new ATOM 1915 N ARG A 129 -6.904 5.715 17.311 1.00 0.00 N ATOM 1916 CA ARG A 129 -5.482 5.366 17.289 1.00 0.00 C ATOM 1917 C ARG A 129 -5.051 4.765 18.619 1.00 0.00 C ATOM 1918 O ARG A 129 -3.900 4.898 19.033 1.00 0.00 O ATOM 1919 CB ARG A 129 -4.633 6.592 16.942 1.00 0.00 C ATOM 1920 CG ARG A 129 -4.569 6.875 15.452 1.00 0.00 C ATOM 1921 CD ARG A 129 -4.596 8.364 15.164 1.00 0.00 C ATOM 1922 NE ARG A 129 -5.945 8.917 15.294 1.00 0.00 N ATOM 1923 CZ ARG A 129 -6.204 10.175 15.640 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -5.214 10.988 15.996 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -7.454 10.615 15.651 1.00 0.00 N ATOM 0 H ARG A 129 -7.463 5.216 16.619 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.326 4.614 16.516 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.040 7.464 17.453 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -3.622 6.444 17.321 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -3.660 6.440 15.037 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.409 6.392 14.953 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.924 8.879 15.850 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.224 8.546 14.156 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.735 8.300 15.108 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.253 10.648 16.004 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.416 11.952 16.261 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.217 9.989 15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -7.653 11.580 15.916 1.00 0.00 H new ATOM 1939 N SER A 130 -5.989 4.095 19.272 1.00 0.00 N ATOM 1940 CA SER A 130 -5.722 3.419 20.529 1.00 0.00 C ATOM 1941 C SER A 130 -4.710 2.296 20.320 1.00 0.00 C ATOM 1942 O SER A 130 -3.765 2.135 21.097 1.00 0.00 O ATOM 1943 CB SER A 130 -7.027 2.847 21.082 1.00 0.00 C ATOM 1944 OG SER A 130 -8.103 3.747 20.859 1.00 0.00 O ATOM 0 H SER A 130 -6.951 4.006 18.946 1.00 0.00 H new ATOM 0 HA SER A 130 -5.307 4.134 21.240 1.00 0.00 H new ATOM 0 HB2 SER A 130 -7.242 1.890 20.605 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.922 2.655 22.150 1.00 0.00 H new ATOM 0 HG SER A 130 -8.930 3.363 21.218 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.908 1.536 19.250 1.00 0.00 N ATOM 1951 CA GLU A 131 -4.060 0.400 18.949 1.00 0.00 C ATOM 1952 C GLU A 131 -4.226 -0.033 17.505 1.00 0.00 C ATOM 1953 O GLU A 131 -4.898 0.631 16.709 1.00 0.00 O ATOM 1954 CB GLU A 131 -4.369 -0.774 19.897 1.00 0.00 C ATOM 1955 CG GLU A 131 -5.853 -1.000 20.177 1.00 0.00 C ATOM 1956 CD GLU A 131 -6.606 -1.698 19.053 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -6.993 -1.025 18.081 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -6.852 -2.918 19.165 1.00 0.00 O ATOM 0 H GLU A 131 -5.656 1.692 18.574 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.024 0.705 19.098 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.952 -1.686 19.470 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.857 -0.602 20.844 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.953 -1.592 21.087 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -6.325 -0.037 20.370 1.00 0.00 H new ATOM 1965 N PHE A 132 -3.592 -1.139 17.182 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.761 -1.779 15.896 1.00 0.00 C ATOM 1967 C PHE A 132 -4.416 -3.128 16.112 1.00 0.00 C ATOM 1968 O PHE A 132 -4.148 -3.802 17.110 1.00 0.00 O ATOM 1969 CB PHE A 132 -2.420 -1.967 15.184 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.864 -0.711 14.577 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -1.114 0.174 15.334 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -2.086 -0.424 13.240 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -0.596 1.321 14.767 1.00 0.00 C ATOM 1974 CE2 PHE A 132 -1.571 0.723 12.671 1.00 0.00 C ATOM 1975 CZ PHE A 132 -0.825 1.595 13.434 1.00 0.00 C ATOM 0 H PHE A 132 -2.944 -1.621 17.805 1.00 0.00 H new ATOM 0 HA PHE A 132 -4.385 -1.144 15.266 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.696 -2.365 15.895 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -2.539 -2.714 14.400 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -0.933 -0.035 16.378 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -2.668 -1.105 12.637 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -0.012 2.004 15.366 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -1.753 0.937 11.628 1.00 0.00 H new ATOM 0 HZ PHE A 132 -0.420 2.492 12.989 1.00 0.00 H new ATOM 1985 N HIS A 133 -5.253 -3.534 15.178 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.914 -4.819 15.287 1.00 0.00 C ATOM 1987 C HIS A 133 -5.602 -5.669 14.072 1.00 0.00 C ATOM 1988 O HIS A 133 -5.796 -5.251 12.929 1.00 0.00 O ATOM 1989 CB HIS A 133 -7.435 -4.690 15.505 1.00 0.00 C ATOM 1990 CG HIS A 133 -8.075 -3.470 14.917 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -8.812 -3.483 13.755 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -8.125 -2.199 15.377 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -9.289 -2.274 13.529 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -8.888 -1.473 14.498 1.00 0.00 N ATOM 0 H HIS A 133 -5.490 -2.999 14.343 1.00 0.00 H new ATOM 0 HA HIS A 133 -5.522 -5.314 16.176 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.920 -5.571 15.084 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -7.632 -4.700 16.577 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -8.965 -4.299 13.162 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -7.651 -1.824 16.272 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -9.906 -1.987 12.690 1.00 0.00 H new ATOM 2003 N ARG A 134 -5.077 -6.853 14.350 1.00 0.00 N ATOM 2004 CA ARG A 134 -4.597 -7.760 13.324 1.00 0.00 C ATOM 2005 C ARG A 134 -5.747 -8.411 12.575 1.00 0.00 C ATOM 2006 O ARG A 134 -6.757 -8.796 13.166 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.714 -8.838 13.963 1.00 0.00 C ATOM 2008 CG ARG A 134 -3.321 -9.953 13.010 1.00 0.00 C ATOM 2009 CD ARG A 134 -2.355 -9.479 11.938 1.00 0.00 C ATOM 2010 NE ARG A 134 -2.288 -10.421 10.822 1.00 0.00 N ATOM 2011 CZ ARG A 134 -1.295 -11.288 10.623 1.00 0.00 C ATOM 2012 NH1 ARG A 134 -0.296 -11.385 11.494 1.00 0.00 N ATOM 2013 NH2 ARG A 134 -1.313 -12.090 9.568 1.00 0.00 N ATOM 0 H ARG A 134 -4.972 -7.211 15.299 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.014 -7.183 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -2.810 -8.370 14.352 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -4.241 -9.269 14.814 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -2.864 -10.766 13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -4.216 -10.357 12.537 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -2.668 -8.501 11.572 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.362 -9.355 12.371 1.00 0.00 H new ATOM 0 HE ARG A 134 -3.054 -10.414 10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.284 -10.793 12.324 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.459 -12.052 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -2.088 -12.045 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.552 -12.752 9.418 1.00 0.00 H new ATOM 2027 N GLU A 135 -5.579 -8.530 11.273 1.00 0.00 N ATOM 2028 CA GLU A 135 -6.535 -9.221 10.437 1.00 0.00 C ATOM 2029 C GLU A 135 -5.779 -10.197 9.550 1.00 0.00 C ATOM 2030 O GLU A 135 -4.579 -10.024 9.311 1.00 0.00 O ATOM 2031 CB GLU A 135 -7.334 -8.218 9.599 1.00 0.00 C ATOM 2032 CG GLU A 135 -8.608 -8.793 9.003 1.00 0.00 C ATOM 2033 CD GLU A 135 -9.397 -7.779 8.198 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -9.915 -6.813 8.798 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -9.508 -7.952 6.962 1.00 0.00 O ATOM 0 H GLU A 135 -4.778 -8.151 10.768 1.00 0.00 H new ATOM 0 HA GLU A 135 -7.247 -9.769 11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -7.590 -7.361 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -6.702 -7.848 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -8.354 -9.638 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -9.236 -9.179 9.806 1.00 0.00 H new ATOM 2042 N ASP A 136 -6.456 -11.228 9.085 1.00 0.00 N ATOM 2043 CA ASP A 136 -5.809 -12.238 8.263 1.00 0.00 C ATOM 2044 C ASP A 136 -6.054 -11.943 6.791 1.00 0.00 C ATOM 2045 O ASP A 136 -6.927 -11.138 6.452 1.00 0.00 O ATOM 2046 CB ASP A 136 -6.301 -13.641 8.621 1.00 0.00 C ATOM 2047 CG ASP A 136 -5.322 -14.713 8.182 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -4.257 -14.839 8.820 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -5.598 -15.423 7.194 1.00 0.00 O ATOM 0 H ASP A 136 -7.448 -11.390 9.259 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.737 -12.205 8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -6.454 -13.708 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -7.268 -13.818 8.150 1.00 0.00 H new ATOM 2054 N ILE A 137 -5.298 -12.593 5.921 1.00 0.00 N ATOM 2055 CA ILE A 137 -5.365 -12.303 4.500 1.00 0.00 C ATOM 2056 C ILE A 137 -6.499 -13.074 3.839 1.00 0.00 C ATOM 2057 O ILE A 137 -6.461 -14.306 3.743 1.00 0.00 O ATOM 2058 CB ILE A 137 -4.035 -12.642 3.784 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -2.885 -11.805 4.357 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -4.166 -12.420 2.281 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -3.089 -10.308 4.225 1.00 0.00 C ATOM 0 H ILE A 137 -4.632 -13.323 6.174 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.550 -11.233 4.405 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.809 -13.694 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.758 -12.053 5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -1.960 -12.082 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.222 -12.663 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.954 -13.061 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.416 -11.377 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.234 -9.785 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.185 -10.045 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -3.995 -10.016 4.756 1.00 0.00 H new ATOM 2073 N VAL A 138 -7.497 -12.341 3.378 1.00 0.00 N ATOM 2074 CA VAL A 138 -8.595 -12.932 2.648 1.00 0.00 C ATOM 2075 C VAL A 138 -8.608 -12.425 1.218 1.00 0.00 C ATOM 2076 O VAL A 138 -8.311 -11.256 0.953 1.00 0.00 O ATOM 2077 CB VAL A 138 -9.962 -12.653 3.311 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -10.103 -13.441 4.605 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -10.150 -11.166 3.566 1.00 0.00 C ATOM 0 H VAL A 138 -7.566 -11.331 3.499 1.00 0.00 H new ATOM 0 HA VAL A 138 -8.439 -14.011 2.657 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.742 -12.979 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -11.073 -13.230 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -10.026 -14.507 4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -9.311 -13.151 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -11.120 -10.997 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -9.361 -10.808 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -10.104 -10.626 2.620 1.00 0.00 H new ATOM 2089 N ARG A 139 -8.933 -13.314 0.302 1.00 0.00 N ATOM 2090 CA ARG A 139 -9.003 -12.985 -1.100 1.00 0.00 C ATOM 2091 C ARG A 139 -10.375 -12.417 -1.417 1.00 0.00 C ATOM 2092 O ARG A 139 -11.325 -12.640 -0.664 1.00 0.00 O ATOM 2093 CB ARG A 139 -8.742 -14.244 -1.925 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.365 -14.843 -1.690 1.00 0.00 C ATOM 2095 CD ARG A 139 -7.206 -16.182 -2.388 1.00 0.00 C ATOM 2096 NE ARG A 139 -8.123 -17.192 -1.859 1.00 0.00 N ATOM 2097 CZ ARG A 139 -7.965 -18.502 -2.024 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -6.954 -18.968 -2.749 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -8.829 -19.343 -1.476 1.00 0.00 N ATOM 0 H ARG A 139 -9.156 -14.287 0.513 1.00 0.00 H new ATOM 0 HA ARG A 139 -8.249 -12.238 -1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.500 -14.990 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -8.851 -14.006 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.602 -14.153 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.201 -14.969 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.383 -16.057 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -6.179 -16.530 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.934 -16.871 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -6.295 -18.320 -3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.836 -19.974 -2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.612 -18.985 -0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.711 -20.348 -1.600 1.00 0.00 H new ATOM 2113 N PRO A 140 -10.498 -11.645 -2.506 1.00 0.00 N ATOM 2114 CA PRO A 140 -11.791 -11.142 -2.959 1.00 0.00 C ATOM 2115 C PRO A 140 -12.778 -12.281 -3.165 1.00 0.00 C ATOM 2116 O PRO A 140 -12.557 -13.150 -4.014 1.00 0.00 O ATOM 2117 CB PRO A 140 -11.472 -10.454 -4.289 1.00 0.00 C ATOM 2118 CG PRO A 140 -10.021 -10.128 -4.217 1.00 0.00 C ATOM 2119 CD PRO A 140 -9.395 -11.203 -3.371 1.00 0.00 C ATOM 0 HA PRO A 140 -12.255 -10.471 -2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -11.688 -11.109 -5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -12.072 -9.554 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -9.576 -10.106 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.864 -9.144 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -9.011 -12.021 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.558 -10.819 -2.789 1.00 0.00 H new ATOM 2127 N ASP A 141 -13.840 -12.285 -2.357 1.00 0.00 N ATOM 2128 CA ASP A 141 -14.881 -13.308 -2.431 1.00 0.00 C ATOM 2129 C ASP A 141 -15.274 -13.546 -3.883 1.00 0.00 C ATOM 2130 O ASP A 141 -15.618 -12.594 -4.578 1.00 0.00 O ATOM 2131 CB ASP A 141 -16.104 -12.879 -1.611 1.00 0.00 C ATOM 2132 CG ASP A 141 -15.759 -12.598 -0.160 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -15.223 -11.505 0.128 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -16.037 -13.459 0.703 1.00 0.00 O ATOM 0 H ASP A 141 -14.001 -11.582 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 141 -14.493 -14.238 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -16.542 -11.986 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -16.861 -13.662 -1.656 1.00 0.00 H new