USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 814 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 37 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.27 K(o=2.5,f=-3.6!) USER MOD Set 2.1: A 11 CYS SG : rot 138:sc= -1.48! USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.762 K(o=-2.2,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.16 USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= 0.609 (180deg=-0.122) USER MOD Single : A 4 LYS NZ :NH3+ 147:sc= 0.907 (180deg=-0.837) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.242 USER MOD Single : A 13 MET CE :methyl -162:sc= -0.189 (180deg=-0.671) USER MOD Single : A 18 THR OG1 : rot -27:sc= 0.507 USER MOD Single : A 20 MET CE :methyl -120:sc= -1.05 (180deg=-2.08!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot -81:sc= -1.56 USER MOD Single : A 40 THR OG1 : rot -174:sc= -0.382 USER MOD Single : A 41 GLN : amide:sc= -3.75! C(o=-3.7!,f=-6.8!) USER MOD Single : A 47 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 51 THR OG1 : rot -63:sc= 0.776 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0.0511 K(o=0.051,f=-1.5) USER MOD Single : A 64 SER OG : rot 110:sc= -0.708 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.503 K(o=0.5,f=-0.00085) USER MOD Single : A 77 SER OG : rot -79:sc= 0.143 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -141:sc= -0.03 (180deg=-1.25) USER MOD Single : A 91 ASN : amide:sc= -0.925 K(o=-0.92,f=-1.7) USER MOD Single : A 97 LYS NZ :NH3+ -148:sc= 1.19 (180deg=0.821) USER MOD Single : A 102 MET CE :methyl -178:sc= -0.305 (180deg=-0.327) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.8!) USER MOD Single : A 108 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.690 2.654 -0.436 1.00 0.00 N ATOM 2 CA MET A 1 3.462 1.230 -0.089 1.00 0.00 C ATOM 3 C MET A 1 4.587 0.347 -0.670 1.00 0.00 C ATOM 4 O MET A 1 5.276 -0.357 0.083 1.00 0.00 O ATOM 5 CB MET A 1 2.073 0.759 -0.604 1.00 0.00 C ATOM 6 CG MET A 1 1.782 -0.739 -0.394 1.00 0.00 C ATOM 7 SD MET A 1 0.173 -1.241 -1.034 1.00 0.00 S ATOM 8 CE MET A 1 0.251 -3.020 -0.830 1.00 0.00 C ATOM 0 H1 MET A 1 2.925 3.235 -0.038 1.00 0.00 H new ATOM 0 H2 MET A 1 4.601 2.965 -0.043 1.00 0.00 H new ATOM 0 H3 MET A 1 3.704 2.761 -1.470 1.00 0.00 H new ATOM 0 HA MET A 1 3.475 1.132 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.299 1.339 -0.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.000 0.984 -1.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.560 -1.326 -0.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.831 -0.967 0.671 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.677 -3.468 -1.184 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.088 -3.416 -1.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.390 -3.260 0.224 1.00 0.00 H new ATOM 18 N SER A 2 4.766 0.390 -2.012 1.00 0.00 N ATOM 19 CA SER A 2 5.752 -0.447 -2.724 1.00 0.00 C ATOM 20 C SER A 2 7.203 -0.072 -2.333 1.00 0.00 C ATOM 21 O SER A 2 7.762 0.918 -2.817 1.00 0.00 O ATOM 22 CB SER A 2 5.533 -0.349 -4.260 1.00 0.00 C ATOM 23 OG SER A 2 5.516 1.000 -4.696 1.00 0.00 O ATOM 0 H SER A 2 4.232 1.004 -2.626 1.00 0.00 H new ATOM 0 HA SER A 2 5.600 -1.483 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.326 -0.890 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.592 -0.831 -4.526 1.00 0.00 H new ATOM 0 HG SER A 2 6.266 1.484 -4.291 1.00 0.00 H new ATOM 29 N LYS A 3 7.775 -0.864 -1.404 1.00 0.00 N ATOM 30 CA LYS A 3 9.163 -0.699 -0.924 1.00 0.00 C ATOM 31 C LYS A 3 10.145 -1.551 -1.754 1.00 0.00 C ATOM 32 O LYS A 3 9.746 -2.322 -2.661 1.00 0.00 O ATOM 33 CB LYS A 3 9.278 -1.011 0.615 1.00 0.00 C ATOM 34 CG LYS A 3 8.269 -2.037 1.175 1.00 0.00 C ATOM 35 CD LYS A 3 8.488 -2.335 2.685 1.00 0.00 C ATOM 36 CE LYS A 3 7.657 -3.533 3.167 1.00 0.00 C ATOM 37 NZ LYS A 3 7.864 -3.835 4.609 1.00 0.00 N ATOM 0 H LYS A 3 7.284 -1.641 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 3 9.441 0.346 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.286 -1.374 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.159 -0.077 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.256 -1.662 1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.351 -2.966 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.545 -2.532 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.224 -1.454 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.600 -3.331 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.917 -4.411 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.586 -4.818 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.867 -3.706 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.284 -3.192 5.185 1.00 0.00 H new ATOM 51 N LYS A 4 11.436 -1.439 -1.408 1.00 0.00 N ATOM 52 CA LYS A 4 12.524 -2.048 -2.189 1.00 0.00 C ATOM 53 C LYS A 4 13.686 -2.413 -1.239 1.00 0.00 C ATOM 54 O LYS A 4 13.985 -1.682 -0.295 1.00 0.00 O ATOM 55 CB LYS A 4 12.950 -1.040 -3.319 1.00 0.00 C ATOM 56 CG LYS A 4 13.495 -1.645 -4.637 1.00 0.00 C ATOM 57 CD LYS A 4 14.890 -2.283 -4.521 1.00 0.00 C ATOM 58 CE LYS A 4 15.396 -2.823 -5.870 1.00 0.00 C ATOM 59 NZ LYS A 4 15.479 -1.759 -6.907 1.00 0.00 N ATOM 0 H LYS A 4 11.754 -0.928 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 4 12.204 -2.972 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.087 -0.421 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.713 -0.377 -2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.793 -2.400 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.530 -0.861 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.595 -1.544 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.857 -3.096 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.380 -3.272 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.730 -3.613 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.274 -1.959 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.594 -1.736 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.627 -0.838 -6.448 1.00 0.00 H new ATOM 73 N LEU A 5 14.317 -3.558 -1.495 1.00 0.00 N ATOM 74 CA LEU A 5 15.495 -4.039 -0.759 1.00 0.00 C ATOM 75 C LEU A 5 16.567 -4.390 -1.779 1.00 0.00 C ATOM 76 O LEU A 5 16.269 -4.936 -2.845 1.00 0.00 O ATOM 77 CB LEU A 5 15.144 -5.282 0.127 1.00 0.00 C ATOM 78 CG LEU A 5 16.311 -5.902 1.009 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.786 -6.491 2.334 1.00 0.00 C ATOM 80 CD2 LEU A 5 17.105 -7.000 0.269 1.00 0.00 C ATOM 0 H LEU A 5 14.020 -4.194 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 5 15.852 -3.262 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.330 -5.001 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.763 -6.066 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 5 16.978 -5.066 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.619 -6.903 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.302 -5.706 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.066 -7.281 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.888 -7.385 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.432 -7.811 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.556 -6.580 -0.630 1.00 0.00 H new ATOM 92 N ILE A 6 17.811 -4.041 -1.475 1.00 0.00 N ATOM 93 CA ILE A 6 18.974 -4.508 -2.227 1.00 0.00 C ATOM 94 C ILE A 6 20.000 -5.053 -1.232 1.00 0.00 C ATOM 95 O ILE A 6 19.892 -4.820 -0.018 1.00 0.00 O ATOM 96 CB ILE A 6 19.616 -3.387 -3.136 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.369 -2.316 -2.295 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.549 -2.733 -4.047 1.00 0.00 C ATOM 99 CD1 ILE A 6 21.026 -1.221 -3.108 1.00 0.00 C ATOM 0 H ILE A 6 18.045 -3.424 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 6 18.647 -5.290 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 6 20.355 -3.872 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.666 -1.860 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.132 -2.814 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.017 -1.965 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.105 -3.493 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.772 -2.280 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.526 -0.521 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.758 -1.660 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.268 -0.692 -3.686 1.00 0.00 H new ATOM 111 N ALA A 7 20.979 -5.784 -1.741 1.00 0.00 N ATOM 112 CA ALA A 7 22.079 -6.309 -0.930 1.00 0.00 C ATOM 113 C ALA A 7 23.319 -6.475 -1.803 1.00 0.00 C ATOM 114 O ALA A 7 23.245 -6.381 -3.034 1.00 0.00 O ATOM 115 CB ALA A 7 21.678 -7.634 -0.245 1.00 0.00 C ATOM 0 H ALA A 7 21.038 -6.033 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 7 22.310 -5.600 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.513 -8.003 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.818 -7.463 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.420 -8.373 -1.004 1.00 0.00 H new ATOM 121 N LEU A 8 24.456 -6.729 -1.161 1.00 0.00 N ATOM 122 CA LEU A 8 25.736 -6.881 -1.846 1.00 0.00 C ATOM 123 C LEU A 8 26.501 -8.011 -1.156 1.00 0.00 C ATOM 124 O LEU A 8 26.935 -7.868 -0.010 1.00 0.00 O ATOM 125 CB LEU A 8 26.528 -5.532 -1.830 1.00 0.00 C ATOM 126 CG LEU A 8 27.581 -5.310 -2.973 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.184 -3.894 -2.898 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.705 -6.369 -2.962 1.00 0.00 C ATOM 0 H LEU A 8 24.516 -6.835 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 8 25.590 -7.137 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.807 -4.715 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.045 -5.454 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 8 27.043 -5.420 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.911 -3.765 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.390 -3.154 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.678 -3.760 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.404 -6.166 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.233 -6.329 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.272 -7.360 -3.095 1.00 0.00 H new ATOM 140 N CYS A 9 26.631 -9.136 -1.860 1.00 0.00 N ATOM 141 CA CYS A 9 27.382 -10.301 -1.403 1.00 0.00 C ATOM 142 C CYS A 9 28.760 -10.325 -2.090 1.00 0.00 C ATOM 143 O CYS A 9 28.849 -10.589 -3.284 1.00 0.00 O ATOM 144 CB CYS A 9 26.565 -11.575 -1.701 1.00 0.00 C ATOM 145 SG CYS A 9 24.930 -11.578 -0.932 1.00 0.00 S ATOM 0 H CYS A 9 26.209 -9.263 -2.780 1.00 0.00 H new ATOM 0 HA CYS A 9 27.551 -10.252 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.451 -11.680 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.123 -12.445 -1.354 1.00 0.00 H new ATOM 0 HG CYS A 9 24.409 -10.390 -1.015 1.00 0.00 H new ATOM 151 N ALA A 10 29.833 -10.022 -1.332 1.00 0.00 N ATOM 152 CA ALA A 10 31.216 -9.958 -1.879 1.00 0.00 C ATOM 153 C ALA A 10 32.149 -10.866 -1.063 1.00 0.00 C ATOM 154 O ALA A 10 32.373 -10.622 0.129 1.00 0.00 O ATOM 155 CB ALA A 10 31.745 -8.511 -1.902 1.00 0.00 C ATOM 0 H ALA A 10 29.774 -9.816 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 10 31.191 -10.314 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.757 -8.500 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.097 -7.897 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.756 -8.111 -0.888 1.00 0.00 H new ATOM 161 N CYS A 11 32.686 -11.918 -1.707 1.00 0.00 N ATOM 162 CA CYS A 11 33.523 -12.931 -1.035 1.00 0.00 C ATOM 163 C CYS A 11 34.900 -13.033 -1.712 1.00 0.00 C ATOM 164 O CYS A 11 34.971 -13.005 -2.943 1.00 0.00 O ATOM 165 CB CYS A 11 32.837 -14.314 -1.078 1.00 0.00 C ATOM 166 SG CYS A 11 33.622 -15.550 -0.039 1.00 0.00 S ATOM 0 H CYS A 11 32.553 -12.090 -2.704 1.00 0.00 H new ATOM 0 HA CYS A 11 33.653 -12.622 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 11 31.797 -14.202 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 11 32.828 -14.672 -2.107 1.00 0.00 H new ATOM 0 HG CYS A 11 32.710 -16.236 0.584 1.00 0.00 H new ATOM 172 N PRO A 12 36.013 -13.167 -0.917 1.00 0.00 N ATOM 173 CA PRO A 12 37.366 -13.469 -1.456 1.00 0.00 C ATOM 174 C PRO A 12 37.519 -14.944 -1.906 1.00 0.00 C ATOM 175 O PRO A 12 38.469 -15.285 -2.615 1.00 0.00 O ATOM 176 CB PRO A 12 38.287 -13.149 -0.255 1.00 0.00 C ATOM 177 CG PRO A 12 37.435 -13.454 0.936 1.00 0.00 C ATOM 178 CD PRO A 12 36.051 -12.989 0.565 1.00 0.00 C ATOM 0 HA PRO A 12 37.594 -12.895 -2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.190 -13.760 -0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.607 -12.107 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.444 -14.520 1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.799 -12.936 1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.282 -13.581 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.886 -11.950 0.849 1.00 0.00 H new ATOM 186 N MET A 13 36.581 -15.808 -1.461 1.00 0.00 N ATOM 187 CA MET A 13 36.547 -17.236 -1.830 1.00 0.00 C ATOM 188 C MET A 13 36.183 -17.394 -3.314 1.00 0.00 C ATOM 189 O MET A 13 36.934 -17.985 -4.102 1.00 0.00 O ATOM 190 CB MET A 13 35.509 -17.983 -0.946 1.00 0.00 C ATOM 191 CG MET A 13 35.351 -19.481 -1.238 1.00 0.00 C ATOM 192 SD MET A 13 34.064 -20.255 -0.227 1.00 0.00 S ATOM 193 CE MET A 13 34.637 -19.897 1.436 1.00 0.00 C ATOM 0 H MET A 13 35.825 -15.532 -0.834 1.00 0.00 H new ATOM 0 HA MET A 13 37.535 -17.667 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.794 -17.862 0.099 1.00 0.00 H new ATOM 0 HB3 MET A 13 34.539 -17.502 -1.070 1.00 0.00 H new ATOM 0 HG2 MET A 13 35.111 -19.619 -2.292 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.301 -19.985 -1.059 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.143 -20.564 2.143 1.00 0.00 H new ATOM 0 HE2 MET A 13 35.715 -20.047 1.489 1.00 0.00 H new ATOM 0 HE3 MET A 13 34.401 -18.863 1.687 1.00 0.00 H new ATOM 203 N GLY A 14 35.019 -16.837 -3.671 1.00 0.00 N ATOM 204 CA GLY A 14 34.488 -16.930 -5.027 1.00 0.00 C ATOM 205 C GLY A 14 33.019 -16.550 -5.085 1.00 0.00 C ATOM 206 O GLY A 14 32.366 -16.391 -4.037 1.00 0.00 O ATOM 0 H GLY A 14 34.425 -16.313 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.059 -16.276 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.615 -17.947 -5.398 1.00 0.00 H new ATOM 210 N LEU A 15 32.491 -16.434 -6.317 1.00 0.00 N ATOM 211 CA LEU A 15 31.074 -16.103 -6.562 1.00 0.00 C ATOM 212 C LEU A 15 30.132 -17.235 -6.110 1.00 0.00 C ATOM 213 O LEU A 15 28.959 -16.992 -5.874 1.00 0.00 O ATOM 214 CB LEU A 15 30.839 -15.739 -8.055 1.00 0.00 C ATOM 215 CG LEU A 15 31.415 -14.357 -8.514 1.00 0.00 C ATOM 216 CD1 LEU A 15 31.303 -14.176 -10.047 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.711 -13.192 -7.769 1.00 0.00 C ATOM 0 H LEU A 15 33.033 -16.567 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 15 30.835 -15.228 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.280 -16.520 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.766 -15.747 -8.248 1.00 0.00 H new ATOM 0 HG LEU A 15 32.474 -14.339 -8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.712 -13.206 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.862 -14.966 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 15 30.256 -14.228 -10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.127 -12.242 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.643 -13.216 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.868 -13.299 -6.696 1.00 0.00 H new ATOM 229 N ALA A 16 30.659 -18.458 -5.966 1.00 0.00 N ATOM 230 CA ALA A 16 29.883 -19.602 -5.443 1.00 0.00 C ATOM 231 C ALA A 16 29.307 -19.287 -4.042 1.00 0.00 C ATOM 232 O ALA A 16 28.115 -19.501 -3.778 1.00 0.00 O ATOM 233 CB ALA A 16 30.760 -20.860 -5.407 1.00 0.00 C ATOM 0 H ALA A 16 31.624 -18.686 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 16 29.041 -19.785 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.179 -21.697 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 16 31.105 -21.092 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.620 -20.686 -4.761 1.00 0.00 H new ATOM 239 N HIS A 17 30.166 -18.711 -3.175 1.00 0.00 N ATOM 240 CA HIS A 17 29.792 -18.364 -1.790 1.00 0.00 C ATOM 241 C HIS A 17 28.855 -17.136 -1.776 1.00 0.00 C ATOM 242 O HIS A 17 27.919 -17.064 -0.963 1.00 0.00 O ATOM 243 CB HIS A 17 31.059 -18.102 -0.924 1.00 0.00 C ATOM 244 CG HIS A 17 30.817 -18.146 0.570 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.525 -17.394 1.481 1.00 0.00 N ATOM 246 CD2 HIS A 17 29.931 -18.870 1.302 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.093 -17.658 2.699 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.125 -18.545 2.616 1.00 0.00 N ATOM 0 H HIS A 17 31.129 -18.476 -3.413 1.00 0.00 H new ATOM 0 HA HIS A 17 29.257 -19.209 -1.357 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.817 -18.842 -1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.467 -17.125 -1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.207 -19.573 0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.470 -17.220 3.611 1.00 0.00 H new ATOM 0 HE2 HIS A 17 29.603 -18.928 3.404 1.00 0.00 H new ATOM 257 N THR A 18 29.104 -16.184 -2.706 1.00 0.00 N ATOM 258 CA THR A 18 28.287 -14.961 -2.821 1.00 0.00 C ATOM 259 C THR A 18 26.840 -15.312 -3.222 1.00 0.00 C ATOM 260 O THR A 18 25.905 -14.700 -2.733 1.00 0.00 O ATOM 261 CB THR A 18 28.870 -13.931 -3.854 1.00 0.00 C ATOM 262 OG1 THR A 18 28.770 -14.434 -5.185 1.00 0.00 O ATOM 263 CG2 THR A 18 30.334 -13.575 -3.578 1.00 0.00 C ATOM 0 H THR A 18 29.863 -16.243 -3.384 1.00 0.00 H new ATOM 0 HA THR A 18 28.303 -14.491 -1.837 1.00 0.00 H new ATOM 0 HB THR A 18 28.271 -13.027 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.778 -15.414 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.681 -12.860 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.420 -13.134 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.944 -14.477 -3.629 1.00 0.00 H new ATOM 271 N PHE A 19 26.689 -16.321 -4.108 1.00 0.00 N ATOM 272 CA PHE A 19 25.374 -16.778 -4.605 1.00 0.00 C ATOM 273 C PHE A 19 24.618 -17.605 -3.552 1.00 0.00 C ATOM 274 O PHE A 19 23.399 -17.706 -3.623 1.00 0.00 O ATOM 275 CB PHE A 19 25.514 -17.580 -5.926 1.00 0.00 C ATOM 276 CG PHE A 19 25.914 -16.740 -7.146 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.264 -15.541 -7.429 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.921 -17.161 -8.015 1.00 0.00 C ATOM 279 CE1 PHE A 19 25.608 -14.795 -8.537 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.268 -16.410 -9.120 1.00 0.00 C ATOM 281 CZ PHE A 19 26.614 -15.228 -9.379 1.00 0.00 C ATOM 0 H PHE A 19 27.475 -16.841 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 19 24.787 -15.882 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.257 -18.364 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.566 -18.074 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 19 24.481 -15.191 -6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.437 -18.089 -7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 19 25.090 -13.871 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 19 28.052 -16.750 -9.780 1.00 0.00 H new ATOM 0 HZ PHE A 19 26.887 -14.638 -10.241 1.00 0.00 H new ATOM 291 N MET A 20 25.348 -18.209 -2.592 1.00 0.00 N ATOM 292 CA MET A 20 24.727 -18.831 -1.396 1.00 0.00 C ATOM 293 C MET A 20 23.967 -17.760 -0.574 1.00 0.00 C ATOM 294 O MET A 20 22.797 -17.945 -0.204 1.00 0.00 O ATOM 295 CB MET A 20 25.806 -19.513 -0.505 1.00 0.00 C ATOM 296 CG MET A 20 26.525 -20.715 -1.141 1.00 0.00 C ATOM 297 SD MET A 20 27.889 -21.347 -0.123 1.00 0.00 S ATOM 298 CE MET A 20 27.063 -21.751 1.419 1.00 0.00 C ATOM 0 H MET A 20 26.365 -18.281 -2.618 1.00 0.00 H new ATOM 0 HA MET A 20 24.024 -19.593 -1.733 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.553 -18.767 -0.233 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.333 -19.842 0.420 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.804 -21.515 -1.309 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.912 -20.424 -2.117 1.00 0.00 H new ATOM 0 HE1 MET A 20 27.500 -21.168 2.230 1.00 0.00 H new ATOM 0 HE2 MET A 20 26.002 -21.518 1.335 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.185 -22.813 1.630 1.00 0.00 H new ATOM 308 N ALA A 21 24.658 -16.632 -0.327 1.00 0.00 N ATOM 309 CA ALA A 21 24.099 -15.484 0.421 1.00 0.00 C ATOM 310 C ALA A 21 23.024 -14.737 -0.390 1.00 0.00 C ATOM 311 O ALA A 21 21.999 -14.317 0.154 1.00 0.00 O ATOM 312 CB ALA A 21 25.231 -14.527 0.813 1.00 0.00 C ATOM 0 H ALA A 21 25.618 -16.488 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 21 23.616 -15.870 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.818 -13.682 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 21 25.951 -15.053 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.730 -14.165 -0.086 1.00 0.00 H new ATOM 318 N ALA A 22 23.277 -14.609 -1.701 1.00 0.00 N ATOM 319 CA ALA A 22 22.416 -13.870 -2.634 1.00 0.00 C ATOM 320 C ALA A 22 21.079 -14.581 -2.834 1.00 0.00 C ATOM 321 O ALA A 22 20.043 -13.933 -2.911 1.00 0.00 O ATOM 322 CB ALA A 22 23.124 -13.674 -3.980 1.00 0.00 C ATOM 0 H ALA A 22 24.096 -15.021 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 22 22.215 -12.891 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.471 -13.125 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.045 -13.111 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.360 -14.647 -4.412 1.00 0.00 H new ATOM 328 N GLN A 23 21.123 -15.918 -2.919 1.00 0.00 N ATOM 329 CA GLN A 23 19.918 -16.750 -3.042 1.00 0.00 C ATOM 330 C GLN A 23 19.067 -16.643 -1.770 1.00 0.00 C ATOM 331 O GLN A 23 17.875 -16.341 -1.843 1.00 0.00 O ATOM 332 CB GLN A 23 20.299 -18.227 -3.332 1.00 0.00 C ATOM 333 CG GLN A 23 19.132 -19.238 -3.213 1.00 0.00 C ATOM 334 CD GLN A 23 19.381 -20.547 -3.963 1.00 0.00 C ATOM 335 OE1 GLN A 23 19.928 -21.503 -3.415 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.981 -20.596 -5.225 1.00 0.00 N ATOM 0 H GLN A 23 21.992 -16.452 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 23 19.327 -16.385 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.713 -18.289 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.090 -18.525 -2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 23 18.959 -19.459 -2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.222 -18.777 -3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.531 -19.785 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.123 -21.445 -5.773 1.00 0.00 H new ATOM 345 N ALA A 24 19.718 -16.837 -0.615 1.00 0.00 N ATOM 346 CA ALA A 24 19.043 -16.879 0.688 1.00 0.00 C ATOM 347 C ALA A 24 18.314 -15.549 1.014 1.00 0.00 C ATOM 348 O ALA A 24 17.122 -15.559 1.384 1.00 0.00 O ATOM 349 CB ALA A 24 20.069 -17.252 1.767 1.00 0.00 C ATOM 0 H ALA A 24 20.728 -16.969 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 24 18.264 -17.640 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.578 -17.286 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.495 -18.229 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.863 -16.506 1.787 1.00 0.00 H new ATOM 355 N LEU A 25 19.027 -14.414 0.850 1.00 0.00 N ATOM 356 CA LEU A 25 18.454 -13.064 1.062 1.00 0.00 C ATOM 357 C LEU A 25 17.343 -12.754 0.043 1.00 0.00 C ATOM 358 O LEU A 25 16.355 -12.103 0.391 1.00 0.00 O ATOM 359 CB LEU A 25 19.542 -11.959 0.980 1.00 0.00 C ATOM 360 CG LEU A 25 20.551 -11.878 2.160 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.619 -10.794 1.885 1.00 0.00 C ATOM 362 CD2 LEU A 25 19.830 -11.610 3.504 1.00 0.00 C ATOM 0 H LEU A 25 20.008 -14.405 0.569 1.00 0.00 H new ATOM 0 HA LEU A 25 18.027 -13.066 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.107 -12.107 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.041 -10.995 0.895 1.00 0.00 H new ATOM 0 HG LEU A 25 21.049 -12.844 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.317 -10.751 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.161 -11.041 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.133 -9.826 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.565 -11.559 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.291 -10.665 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.126 -12.417 3.707 1.00 0.00 H new ATOM 374 N GLU A 26 17.523 -13.217 -1.215 1.00 0.00 N ATOM 375 CA GLU A 26 16.550 -12.976 -2.297 1.00 0.00 C ATOM 376 C GLU A 26 15.188 -13.570 -1.927 1.00 0.00 C ATOM 377 O GLU A 26 14.199 -12.843 -1.866 1.00 0.00 O ATOM 378 CB GLU A 26 17.051 -13.557 -3.647 1.00 0.00 C ATOM 379 CG GLU A 26 16.119 -13.309 -4.858 1.00 0.00 C ATOM 380 CD GLU A 26 16.666 -13.889 -6.173 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.380 -15.066 -6.485 1.00 0.00 O ATOM 382 OE2 GLU A 26 17.401 -13.179 -6.895 1.00 0.00 O ATOM 0 H GLU A 26 18.336 -13.761 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 26 16.442 -11.898 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.029 -13.129 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.192 -14.632 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.143 -13.749 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.967 -12.236 -4.977 1.00 0.00 H new ATOM 389 N GLU A 27 15.196 -14.881 -1.610 1.00 0.00 N ATOM 390 CA GLU A 27 13.991 -15.645 -1.234 1.00 0.00 C ATOM 391 C GLU A 27 13.228 -14.952 -0.090 1.00 0.00 C ATOM 392 O GLU A 27 12.060 -14.618 -0.234 1.00 0.00 O ATOM 393 CB GLU A 27 14.378 -17.094 -0.817 1.00 0.00 C ATOM 394 CG GLU A 27 15.124 -17.892 -1.901 1.00 0.00 C ATOM 395 CD GLU A 27 15.438 -19.340 -1.496 1.00 0.00 C ATOM 396 OE1 GLU A 27 16.410 -19.557 -0.741 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.697 -20.264 -1.910 1.00 0.00 O ATOM 0 H GLU A 27 16.047 -15.443 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 27 13.335 -15.688 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.002 -17.047 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.472 -17.635 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.524 -17.901 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.057 -17.380 -2.139 1.00 0.00 H new ATOM 404 N ALA A 28 13.955 -14.660 0.998 1.00 0.00 N ATOM 405 CA ALA A 28 13.384 -14.054 2.221 1.00 0.00 C ATOM 406 C ALA A 28 12.778 -12.654 1.967 1.00 0.00 C ATOM 407 O ALA A 28 11.737 -12.310 2.539 1.00 0.00 O ATOM 408 CB ALA A 28 14.463 -13.981 3.303 1.00 0.00 C ATOM 0 H ALA A 28 14.958 -14.836 1.060 1.00 0.00 H new ATOM 0 HA ALA A 28 12.564 -14.691 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.044 -13.535 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.821 -14.986 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.293 -13.371 2.948 1.00 0.00 H new ATOM 414 N ALA A 29 13.434 -11.869 1.098 1.00 0.00 N ATOM 415 CA ALA A 29 12.986 -10.506 0.742 1.00 0.00 C ATOM 416 C ALA A 29 11.805 -10.513 -0.258 1.00 0.00 C ATOM 417 O ALA A 29 11.019 -9.558 -0.295 1.00 0.00 O ATOM 418 CB ALA A 29 14.162 -9.694 0.204 1.00 0.00 C ATOM 0 H ALA A 29 14.289 -12.157 0.621 1.00 0.00 H new ATOM 0 HA ALA A 29 12.614 -10.033 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.823 -8.691 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.938 -9.629 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.565 -10.182 -0.683 1.00 0.00 H new ATOM 424 N VAL A 30 11.666 -11.607 -1.038 1.00 0.00 N ATOM 425 CA VAL A 30 10.499 -11.822 -1.926 1.00 0.00 C ATOM 426 C VAL A 30 9.242 -11.953 -1.052 1.00 0.00 C ATOM 427 O VAL A 30 8.194 -11.339 -1.308 1.00 0.00 O ATOM 428 CB VAL A 30 10.693 -13.130 -2.801 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.389 -13.591 -3.499 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.809 -12.941 -3.852 1.00 0.00 C ATOM 0 H VAL A 30 12.352 -12.361 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 30 10.398 -10.977 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 30 10.984 -13.914 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.587 -14.490 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.630 -13.806 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.031 -12.801 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.918 -13.855 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.549 -12.116 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.750 -12.718 -3.348 1.00 0.00 H new ATOM 440 N GLU A 31 9.418 -12.727 0.021 1.00 0.00 N ATOM 441 CA GLU A 31 8.363 -13.082 0.969 1.00 0.00 C ATOM 442 C GLU A 31 8.101 -11.946 1.981 1.00 0.00 C ATOM 443 O GLU A 31 7.022 -11.886 2.583 1.00 0.00 O ATOM 444 CB GLU A 31 8.777 -14.387 1.680 1.00 0.00 C ATOM 445 CG GLU A 31 9.263 -15.486 0.712 1.00 0.00 C ATOM 446 CD GLU A 31 9.640 -16.795 1.418 1.00 0.00 C ATOM 447 OE1 GLU A 31 10.793 -16.908 1.893 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.791 -17.712 1.511 1.00 0.00 O ATOM 0 H GLU A 31 10.322 -13.134 0.260 1.00 0.00 H new ATOM 0 HA GLU A 31 7.426 -13.234 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.570 -14.167 2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.929 -14.765 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.480 -15.688 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.127 -15.117 0.160 1.00 0.00 H new ATOM 455 N ALA A 32 9.093 -11.042 2.148 1.00 0.00 N ATOM 456 CA ALA A 32 8.958 -9.832 2.987 1.00 0.00 C ATOM 457 C ALA A 32 8.024 -8.791 2.323 1.00 0.00 C ATOM 458 O ALA A 32 7.557 -7.854 2.984 1.00 0.00 O ATOM 459 CB ALA A 32 10.344 -9.240 3.279 1.00 0.00 C ATOM 0 H ALA A 32 10.008 -11.132 1.705 1.00 0.00 H new ATOM 0 HA ALA A 32 8.499 -10.114 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.236 -8.349 3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.950 -9.976 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.831 -8.974 2.341 1.00 0.00 H new ATOM 465 N GLY A 33 7.772 -8.960 1.003 1.00 0.00 N ATOM 466 CA GLY A 33 6.709 -8.222 0.302 1.00 0.00 C ATOM 467 C GLY A 33 7.204 -7.285 -0.786 1.00 0.00 C ATOM 468 O GLY A 33 6.427 -6.892 -1.661 1.00 0.00 O ATOM 0 H GLY A 33 8.294 -9.603 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.018 -8.939 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.144 -7.643 1.032 1.00 0.00 H new ATOM 472 N TYR A 34 8.491 -6.928 -0.739 1.00 0.00 N ATOM 473 CA TYR A 34 9.082 -5.915 -1.644 1.00 0.00 C ATOM 474 C TYR A 34 9.967 -6.518 -2.729 1.00 0.00 C ATOM 475 O TYR A 34 10.125 -7.741 -2.824 1.00 0.00 O ATOM 476 CB TYR A 34 9.861 -4.826 -0.848 1.00 0.00 C ATOM 477 CG TYR A 34 10.765 -5.256 0.319 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.347 -6.519 0.421 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.002 -4.363 1.354 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.112 -6.857 1.508 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.750 -4.695 2.429 1.00 0.00 C ATOM 482 CZ TYR A 34 12.307 -5.940 2.510 1.00 0.00 C ATOM 483 OH TYR A 34 13.042 -6.281 3.609 1.00 0.00 O ATOM 0 H TYR A 34 9.158 -7.327 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 34 8.239 -5.445 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.480 -4.279 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.129 -4.121 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.193 -7.241 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.576 -3.372 1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.558 -7.838 1.575 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.907 -3.979 3.222 1.00 0.00 H new ATOM 0 HH TYR A 34 12.481 -6.787 4.233 1.00 0.00 H new ATOM 493 N GLU A 35 10.527 -5.611 -3.565 1.00 0.00 N ATOM 494 CA GLU A 35 11.489 -5.990 -4.613 1.00 0.00 C ATOM 495 C GLU A 35 12.855 -6.280 -3.960 1.00 0.00 C ATOM 496 O GLU A 35 13.173 -5.708 -2.919 1.00 0.00 O ATOM 497 CB GLU A 35 11.608 -4.855 -5.670 1.00 0.00 C ATOM 498 CG GLU A 35 12.513 -5.166 -6.888 1.00 0.00 C ATOM 499 CD GLU A 35 12.065 -6.402 -7.699 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.176 -6.266 -8.571 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.595 -7.510 -7.465 1.00 0.00 O ATOM 0 H GLU A 35 10.325 -4.612 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 35 11.142 -6.887 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.609 -4.616 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.989 -3.961 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.530 -4.298 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.534 -5.322 -6.540 1.00 0.00 H new ATOM 508 N VAL A 36 13.645 -7.178 -4.566 1.00 0.00 N ATOM 509 CA VAL A 36 14.993 -7.518 -4.077 1.00 0.00 C ATOM 510 C VAL A 36 15.975 -7.621 -5.254 1.00 0.00 C ATOM 511 O VAL A 36 15.662 -8.225 -6.284 1.00 0.00 O ATOM 512 CB VAL A 36 14.990 -8.828 -3.198 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.392 -10.042 -3.935 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.403 -9.151 -2.657 1.00 0.00 C ATOM 0 H VAL A 36 13.371 -7.688 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 36 15.328 -6.712 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 36 14.338 -8.622 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.417 -10.913 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.360 -9.827 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 36 14.975 -10.246 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.364 -10.059 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.088 -9.298 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.755 -8.323 -2.041 1.00 0.00 H new ATOM 524 N LYS A 37 17.145 -6.984 -5.102 1.00 0.00 N ATOM 525 CA LYS A 37 18.211 -6.992 -6.121 1.00 0.00 C ATOM 526 C LYS A 37 19.574 -7.070 -5.422 1.00 0.00 C ATOM 527 O LYS A 37 19.958 -6.143 -4.715 1.00 0.00 O ATOM 528 CB LYS A 37 18.130 -5.716 -6.995 1.00 0.00 C ATOM 529 CG LYS A 37 19.149 -5.690 -8.154 1.00 0.00 C ATOM 530 CD LYS A 37 18.812 -6.663 -9.291 1.00 0.00 C ATOM 531 CE LYS A 37 19.943 -6.737 -10.324 1.00 0.00 C ATOM 532 NZ LYS A 37 19.561 -7.529 -11.521 1.00 0.00 N ATOM 0 H LYS A 37 17.382 -6.447 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 37 18.085 -7.859 -6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.124 -5.631 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.290 -4.843 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.203 -4.679 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.138 -5.930 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.629 -7.655 -8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.891 -6.346 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.218 -5.728 -10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.825 -7.182 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.068 -7.166 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.811 -8.527 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.536 -7.449 -11.678 1.00 0.00 H new ATOM 546 N ILE A 38 20.290 -8.189 -5.587 1.00 0.00 N ATOM 547 CA ILE A 38 21.554 -8.439 -4.859 1.00 0.00 C ATOM 548 C ILE A 38 22.747 -8.592 -5.818 1.00 0.00 C ATOM 549 O ILE A 38 22.841 -9.586 -6.545 1.00 0.00 O ATOM 550 CB ILE A 38 21.395 -9.730 -3.993 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.133 -9.593 -3.080 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.671 -10.023 -3.152 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.652 -10.879 -2.472 1.00 0.00 C ATOM 0 H ILE A 38 20.020 -8.942 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 38 21.759 -7.579 -4.221 1.00 0.00 H new ATOM 0 HB ILE A 38 21.261 -10.580 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.357 -8.890 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.323 -9.160 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.519 -10.928 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.522 -10.161 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.866 -9.185 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.774 -10.684 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.391 -11.581 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.441 -11.307 -1.854 1.00 0.00 H new ATOM 565 N GLU A 39 23.649 -7.603 -5.786 1.00 0.00 N ATOM 566 CA GLU A 39 24.921 -7.627 -6.533 1.00 0.00 C ATOM 567 C GLU A 39 25.912 -8.568 -5.838 1.00 0.00 C ATOM 568 O GLU A 39 25.987 -8.602 -4.609 1.00 0.00 O ATOM 569 CB GLU A 39 25.484 -6.185 -6.616 1.00 0.00 C ATOM 570 CG GLU A 39 26.869 -6.027 -7.262 1.00 0.00 C ATOM 571 CD GLU A 39 27.333 -4.558 -7.289 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.765 -3.770 -8.069 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.245 -4.182 -6.528 1.00 0.00 O ATOM 0 H GLU A 39 23.519 -6.754 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 39 24.756 -7.998 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.775 -5.573 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.530 -5.778 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.595 -6.626 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.840 -6.416 -8.280 1.00 0.00 H new ATOM 580 N THR A 40 26.655 -9.335 -6.638 1.00 0.00 N ATOM 581 CA THR A 40 27.628 -10.319 -6.154 1.00 0.00 C ATOM 582 C THR A 40 29.009 -10.004 -6.742 1.00 0.00 C ATOM 583 O THR A 40 29.206 -10.112 -7.952 1.00 0.00 O ATOM 584 CB THR A 40 27.185 -11.771 -6.531 1.00 0.00 C ATOM 585 OG1 THR A 40 26.783 -11.828 -7.906 1.00 0.00 O ATOM 586 CG2 THR A 40 26.035 -12.269 -5.641 1.00 0.00 C ATOM 0 H THR A 40 26.598 -9.290 -7.655 1.00 0.00 H new ATOM 0 HA THR A 40 27.681 -10.260 -5.067 1.00 0.00 H new ATOM 0 HB THR A 40 28.044 -12.422 -6.371 1.00 0.00 H new ATOM 0 HG1 THR A 40 26.414 -12.714 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.758 -13.281 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.355 -12.270 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.175 -11.610 -5.755 1.00 0.00 H new ATOM 594 N GLN A 41 29.951 -9.575 -5.887 1.00 0.00 N ATOM 595 CA GLN A 41 31.303 -9.183 -6.316 1.00 0.00 C ATOM 596 C GLN A 41 32.343 -10.250 -5.936 1.00 0.00 C ATOM 597 O GLN A 41 32.223 -10.925 -4.899 1.00 0.00 O ATOM 598 CB GLN A 41 31.687 -7.815 -5.701 1.00 0.00 C ATOM 599 CG GLN A 41 30.791 -6.653 -6.159 1.00 0.00 C ATOM 600 CD GLN A 41 31.326 -5.284 -5.747 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.957 -4.716 -4.726 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.265 -4.784 -6.506 1.00 0.00 N ATOM 0 H GLN A 41 29.798 -9.490 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 41 31.296 -9.094 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.641 -7.890 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.721 -7.588 -5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.691 -6.686 -7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.793 -6.786 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.554 -5.277 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.709 -3.901 -6.253 1.00 0.00 H new ATOM 611 N GLY A 42 33.358 -10.384 -6.803 1.00 0.00 N ATOM 612 CA GLY A 42 34.488 -11.273 -6.579 1.00 0.00 C ATOM 613 C GLY A 42 35.603 -11.039 -7.597 1.00 0.00 C ATOM 614 O GLY A 42 35.393 -10.346 -8.599 1.00 0.00 O ATOM 0 H GLY A 42 33.410 -9.871 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.877 -11.120 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 42 34.153 -12.309 -6.638 1.00 0.00 H new ATOM 618 N ALA A 43 36.779 -11.649 -7.344 1.00 0.00 N ATOM 619 CA ALA A 43 37.970 -11.526 -8.217 1.00 0.00 C ATOM 620 C ALA A 43 37.719 -12.128 -9.613 1.00 0.00 C ATOM 621 O ALA A 43 38.368 -11.741 -10.589 1.00 0.00 O ATOM 622 CB ALA A 43 39.184 -12.186 -7.541 1.00 0.00 C ATOM 0 H ALA A 43 36.932 -12.242 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 43 38.178 -10.466 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 43 40.056 -12.092 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 43 39.383 -11.693 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.974 -13.241 -7.366 1.00 0.00 H new ATOM 628 N ASP A 44 36.768 -13.078 -9.688 1.00 0.00 N ATOM 629 CA ASP A 44 36.322 -13.676 -10.961 1.00 0.00 C ATOM 630 C ASP A 44 35.477 -12.671 -11.765 1.00 0.00 C ATOM 631 O ASP A 44 35.610 -12.578 -12.993 1.00 0.00 O ATOM 632 CB ASP A 44 35.510 -14.967 -10.689 1.00 0.00 C ATOM 633 CG ASP A 44 34.972 -15.650 -11.970 1.00 0.00 C ATOM 634 OD1 ASP A 44 35.780 -16.233 -12.727 1.00 0.00 O ATOM 635 OD2 ASP A 44 33.746 -15.610 -12.222 1.00 0.00 O ATOM 0 H ASP A 44 36.288 -13.452 -8.870 1.00 0.00 H new ATOM 0 HA ASP A 44 37.202 -13.933 -11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 44 36.140 -15.674 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.670 -14.726 -10.037 1.00 0.00 H new ATOM 640 N GLY A 45 34.618 -11.917 -11.057 1.00 0.00 N ATOM 641 CA GLY A 45 33.748 -10.931 -11.693 1.00 0.00 C ATOM 642 C GLY A 45 32.605 -10.473 -10.802 1.00 0.00 C ATOM 643 O GLY A 45 32.544 -10.824 -9.613 1.00 0.00 O ATOM 0 H GLY A 45 34.513 -11.977 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.343 -10.065 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.337 -11.356 -12.609 1.00 0.00 H new ATOM 647 N ILE A 46 31.704 -9.666 -11.391 1.00 0.00 N ATOM 648 CA ILE A 46 30.519 -9.110 -10.711 1.00 0.00 C ATOM 649 C ILE A 46 29.255 -9.535 -11.486 1.00 0.00 C ATOM 650 O ILE A 46 29.224 -9.457 -12.721 1.00 0.00 O ATOM 651 CB ILE A 46 30.604 -7.533 -10.601 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.904 -7.114 -9.825 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.338 -6.939 -9.924 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.218 -5.629 -9.832 1.00 0.00 C ATOM 0 H ILE A 46 31.779 -9.377 -12.366 1.00 0.00 H new ATOM 0 HA ILE A 46 30.476 -9.501 -9.694 1.00 0.00 H new ATOM 0 HB ILE A 46 30.652 -7.126 -11.611 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.811 -7.443 -8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.751 -7.649 -10.254 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.432 -5.855 -9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.457 -7.196 -10.512 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.236 -7.349 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.134 -5.448 -9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.350 -5.290 -10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.395 -5.081 -9.372 1.00 0.00 H new ATOM 666 N GLN A 47 28.228 -9.986 -10.751 1.00 0.00 N ATOM 667 CA GLN A 47 26.947 -10.453 -11.322 1.00 0.00 C ATOM 668 C GLN A 47 25.778 -9.744 -10.617 1.00 0.00 C ATOM 669 O GLN A 47 25.915 -9.338 -9.462 1.00 0.00 O ATOM 670 CB GLN A 47 26.832 -11.993 -11.140 1.00 0.00 C ATOM 671 CG GLN A 47 25.622 -12.665 -11.832 1.00 0.00 C ATOM 672 CD GLN A 47 25.643 -12.614 -13.369 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.595 -12.527 -14.006 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.814 -12.734 -13.979 1.00 0.00 N ATOM 0 H GLN A 47 28.259 -10.039 -9.733 1.00 0.00 H new ATOM 0 HA GLN A 47 26.911 -10.217 -12.385 1.00 0.00 H new ATOM 0 HB2 GLN A 47 27.745 -12.454 -11.518 1.00 0.00 H new ATOM 0 HB3 GLN A 47 26.783 -12.211 -10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.576 -13.708 -11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.709 -12.186 -11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.670 -12.805 -13.429 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.858 -12.756 -14.998 1.00 0.00 H new ATOM 683 N ASN A 48 24.642 -9.598 -11.334 1.00 0.00 N ATOM 684 CA ASN A 48 23.385 -9.005 -10.804 1.00 0.00 C ATOM 685 C ASN A 48 23.640 -7.542 -10.346 1.00 0.00 C ATOM 686 O ASN A 48 23.106 -7.093 -9.320 1.00 0.00 O ATOM 687 CB ASN A 48 22.782 -9.903 -9.657 1.00 0.00 C ATOM 688 CG ASN A 48 21.248 -10.008 -9.673 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.624 -9.982 -10.733 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.629 -10.139 -8.504 1.00 0.00 N ATOM 0 H ASN A 48 24.567 -9.891 -12.308 1.00 0.00 H new ATOM 0 HA ASN A 48 22.638 -8.973 -11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.204 -10.905 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.097 -9.501 -8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.613 -10.221 -8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.170 -10.158 -7.640 1.00 0.00 H new ATOM 697 N ARG A 49 24.449 -6.824 -11.170 1.00 0.00 N ATOM 698 CA ARG A 49 24.927 -5.442 -10.929 1.00 0.00 C ATOM 699 C ARG A 49 23.798 -4.475 -10.498 1.00 0.00 C ATOM 700 O ARG A 49 22.787 -4.328 -11.193 1.00 0.00 O ATOM 701 CB ARG A 49 25.624 -4.916 -12.226 1.00 0.00 C ATOM 702 CG ARG A 49 25.975 -3.404 -12.241 1.00 0.00 C ATOM 703 CD ARG A 49 27.048 -3.002 -11.211 1.00 0.00 C ATOM 704 NE ARG A 49 28.422 -3.233 -11.671 1.00 0.00 N ATOM 705 CZ ARG A 49 29.496 -3.220 -10.873 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.356 -3.267 -9.556 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.710 -3.216 -11.396 1.00 0.00 N ATOM 0 H ARG A 49 24.796 -7.207 -12.049 1.00 0.00 H new ATOM 0 HA ARG A 49 25.632 -5.475 -10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.542 -5.484 -12.378 1.00 0.00 H new ATOM 0 HB3 ARG A 49 24.974 -5.127 -13.075 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.322 -3.131 -13.238 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.069 -2.829 -12.051 1.00 0.00 H new ATOM 0 HD2 ARG A 49 26.928 -1.946 -10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.883 -3.562 -10.290 1.00 0.00 H new ATOM 0 HE ARG A 49 28.568 -3.415 -12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.424 -3.314 -9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.180 -3.257 -8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.829 -3.223 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.528 -3.206 -10.787 1.00 0.00 H new ATOM 721 N LEU A 50 24.011 -3.834 -9.344 1.00 0.00 N ATOM 722 CA LEU A 50 23.144 -2.768 -8.814 1.00 0.00 C ATOM 723 C LEU A 50 23.414 -1.444 -9.537 1.00 0.00 C ATOM 724 O LEU A 50 24.574 -1.044 -9.715 1.00 0.00 O ATOM 725 CB LEU A 50 23.388 -2.616 -7.284 1.00 0.00 C ATOM 726 CG LEU A 50 22.781 -3.751 -6.410 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.346 -3.746 -4.978 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.258 -3.644 -6.389 1.00 0.00 C ATOM 0 H LEU A 50 24.805 -4.043 -8.738 1.00 0.00 H new ATOM 0 HA LEU A 50 22.102 -3.037 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.462 -2.573 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.972 -1.663 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 50 23.065 -4.701 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.893 -4.555 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.426 -3.886 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.119 -2.793 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.846 -4.444 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.967 -2.680 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.873 -3.732 -7.405 1.00 0.00 H new ATOM 740 N THR A 51 22.331 -0.776 -9.950 1.00 0.00 N ATOM 741 CA THR A 51 22.398 0.536 -10.605 1.00 0.00 C ATOM 742 C THR A 51 22.163 1.644 -9.570 1.00 0.00 C ATOM 743 O THR A 51 21.746 1.368 -8.436 1.00 0.00 O ATOM 744 CB THR A 51 21.344 0.654 -11.763 1.00 0.00 C ATOM 745 OG1 THR A 51 20.002 0.657 -11.231 1.00 0.00 O ATOM 746 CG2 THR A 51 21.479 -0.500 -12.779 1.00 0.00 C ATOM 0 H THR A 51 21.381 -1.131 -9.839 1.00 0.00 H new ATOM 0 HA THR A 51 23.390 0.646 -11.042 1.00 0.00 H new ATOM 0 HB THR A 51 21.540 1.595 -12.276 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.825 -0.198 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.732 -0.382 -13.564 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.476 -0.482 -13.220 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.324 -1.452 -12.271 1.00 0.00 H new ATOM 754 N ALA A 52 22.405 2.903 -9.979 1.00 0.00 N ATOM 755 CA ALA A 52 22.137 4.080 -9.141 1.00 0.00 C ATOM 756 C ALA A 52 20.658 4.142 -8.726 1.00 0.00 C ATOM 757 O ALA A 52 20.342 4.542 -7.601 1.00 0.00 O ATOM 758 CB ALA A 52 22.547 5.361 -9.873 1.00 0.00 C ATOM 0 H ALA A 52 22.790 3.130 -10.896 1.00 0.00 H new ATOM 0 HA ALA A 52 22.734 3.991 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.342 6.224 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.612 5.324 -10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.979 5.448 -10.799 1.00 0.00 H new ATOM 764 N GLN A 53 19.768 3.697 -9.642 1.00 0.00 N ATOM 765 CA GLN A 53 18.324 3.651 -9.388 1.00 0.00 C ATOM 766 C GLN A 53 18.006 2.642 -8.268 1.00 0.00 C ATOM 767 O GLN A 53 17.278 2.977 -7.351 1.00 0.00 O ATOM 768 CB GLN A 53 17.520 3.281 -10.664 1.00 0.00 C ATOM 769 CG GLN A 53 15.992 3.471 -10.505 1.00 0.00 C ATOM 770 CD GLN A 53 15.165 2.920 -11.672 1.00 0.00 C ATOM 771 OE1 GLN A 53 14.919 3.611 -12.660 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.697 1.685 -11.547 1.00 0.00 N ATOM 0 H GLN A 53 20.035 3.364 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 53 18.022 4.651 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.870 3.893 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.724 2.243 -10.925 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.671 2.984 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.779 4.534 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.919 1.137 -10.716 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.115 1.283 -12.282 1.00 0.00 H new ATOM 781 N ASP A 54 18.599 1.423 -8.345 1.00 0.00 N ATOM 782 CA ASP A 54 18.401 0.347 -7.327 1.00 0.00 C ATOM 783 C ASP A 54 18.707 0.844 -5.910 1.00 0.00 C ATOM 784 O ASP A 54 17.946 0.587 -4.975 1.00 0.00 O ATOM 785 CB ASP A 54 19.292 -0.897 -7.622 1.00 0.00 C ATOM 786 CG ASP A 54 18.772 -1.771 -8.768 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.731 -2.421 -8.587 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.386 -1.813 -9.845 1.00 0.00 O ATOM 0 H ASP A 54 19.223 1.155 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 54 17.351 0.061 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.301 -0.561 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.364 -1.503 -6.719 1.00 0.00 H new ATOM 793 N ILE A 55 19.827 1.568 -5.794 1.00 0.00 N ATOM 794 CA ILE A 55 20.335 2.097 -4.512 1.00 0.00 C ATOM 795 C ILE A 55 19.448 3.261 -4.003 1.00 0.00 C ATOM 796 O ILE A 55 19.256 3.425 -2.791 1.00 0.00 O ATOM 797 CB ILE A 55 21.838 2.554 -4.671 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.680 1.405 -5.317 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.461 3.009 -3.320 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.105 1.776 -5.672 1.00 0.00 C ATOM 0 H ILE A 55 20.415 1.808 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 55 20.294 1.303 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 55 21.854 3.422 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.701 0.560 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.173 1.067 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.495 3.314 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.893 3.850 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.432 2.183 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.606 0.914 -6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.099 2.598 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.636 2.083 -4.771 1.00 0.00 H new ATOM 812 N ALA A 56 18.885 4.036 -4.953 1.00 0.00 N ATOM 813 CA ALA A 56 17.977 5.163 -4.653 1.00 0.00 C ATOM 814 C ALA A 56 16.608 4.664 -4.146 1.00 0.00 C ATOM 815 O ALA A 56 16.041 5.228 -3.209 1.00 0.00 O ATOM 816 CB ALA A 56 17.802 6.048 -5.900 1.00 0.00 C ATOM 0 H ALA A 56 19.047 3.898 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 56 18.427 5.757 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.131 6.875 -5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.771 6.442 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.379 5.455 -6.711 1.00 0.00 H new ATOM 822 N GLU A 57 16.095 3.601 -4.785 1.00 0.00 N ATOM 823 CA GLU A 57 14.797 2.978 -4.444 1.00 0.00 C ATOM 824 C GLU A 57 14.888 2.207 -3.122 1.00 0.00 C ATOM 825 O GLU A 57 13.901 2.114 -2.382 1.00 0.00 O ATOM 826 CB GLU A 57 14.367 1.996 -5.560 1.00 0.00 C ATOM 827 CG GLU A 57 14.219 2.632 -6.947 1.00 0.00 C ATOM 828 CD GLU A 57 14.010 1.592 -8.060 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.919 0.751 -8.274 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.960 1.609 -8.732 1.00 0.00 O ATOM 0 H GLU A 57 16.571 3.142 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 57 14.062 3.777 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.100 1.191 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.417 1.542 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.375 3.322 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.109 3.221 -7.169 1.00 0.00 H new ATOM 837 N ALA A 58 16.090 1.646 -2.870 1.00 0.00 N ATOM 838 CA ALA A 58 16.364 0.743 -1.741 1.00 0.00 C ATOM 839 C ALA A 58 16.004 1.369 -0.383 1.00 0.00 C ATOM 840 O ALA A 58 16.713 2.245 0.118 1.00 0.00 O ATOM 841 CB ALA A 58 17.836 0.305 -1.755 1.00 0.00 C ATOM 0 H ALA A 58 16.907 1.813 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 58 15.725 -0.131 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.025 -0.363 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.052 -0.216 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.477 1.182 -1.673 1.00 0.00 H new ATOM 847 N THR A 59 14.855 0.940 0.155 1.00 0.00 N ATOM 848 CA THR A 59 14.446 1.206 1.539 1.00 0.00 C ATOM 849 C THR A 59 15.467 0.567 2.509 1.00 0.00 C ATOM 850 O THR A 59 15.828 1.148 3.537 1.00 0.00 O ATOM 851 CB THR A 59 13.016 0.611 1.788 1.00 0.00 C ATOM 852 OG1 THR A 59 12.115 1.077 0.766 1.00 0.00 O ATOM 853 CG2 THR A 59 12.450 0.969 3.178 1.00 0.00 C ATOM 0 H THR A 59 14.173 0.390 -0.368 1.00 0.00 H new ATOM 0 HA THR A 59 14.416 2.282 1.713 1.00 0.00 H new ATOM 0 HB THR A 59 13.110 -0.474 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.196 0.838 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.459 0.530 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.111 0.578 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.380 2.052 3.274 1.00 0.00 H new ATOM 861 N ILE A 60 15.941 -0.637 2.125 1.00 0.00 N ATOM 862 CA ILE A 60 16.897 -1.440 2.913 1.00 0.00 C ATOM 863 C ILE A 60 18.093 -1.858 2.030 1.00 0.00 C ATOM 864 O ILE A 60 17.909 -2.193 0.853 1.00 0.00 O ATOM 865 CB ILE A 60 16.187 -2.733 3.485 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.970 -2.365 4.400 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.185 -3.639 4.241 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.182 -3.549 4.948 1.00 0.00 C ATOM 0 H ILE A 60 15.667 -1.083 1.249 1.00 0.00 H new ATOM 0 HA ILE A 60 17.256 -0.833 3.744 1.00 0.00 H new ATOM 0 HB ILE A 60 15.806 -3.292 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.334 -1.773 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.290 -1.729 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.663 -4.518 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.978 -3.953 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.619 -3.086 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.363 -3.185 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.779 -4.133 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.840 -4.177 5.549 1.00 0.00 H new ATOM 880 N ILE A 61 19.317 -1.814 2.606 1.00 0.00 N ATOM 881 CA ILE A 61 20.548 -2.351 1.973 1.00 0.00 C ATOM 882 C ILE A 61 21.286 -3.232 2.989 1.00 0.00 C ATOM 883 O ILE A 61 21.435 -2.832 4.139 1.00 0.00 O ATOM 884 CB ILE A 61 21.525 -1.212 1.491 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.760 -0.148 0.647 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.730 -1.804 0.698 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.610 0.976 0.110 1.00 0.00 C ATOM 0 H ILE A 61 19.481 -1.404 3.526 1.00 0.00 H new ATOM 0 HA ILE A 61 20.243 -2.922 1.096 1.00 0.00 H new ATOM 0 HB ILE A 61 21.926 -0.714 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.278 -0.651 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.967 0.279 1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.387 -0.996 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.284 -2.491 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.362 -2.340 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.986 1.662 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.072 1.511 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.387 0.568 -0.536 1.00 0.00 H new ATOM 899 N ILE A 62 21.730 -4.435 2.575 1.00 0.00 N ATOM 900 CA ILE A 62 22.554 -5.329 3.429 1.00 0.00 C ATOM 901 C ILE A 62 23.891 -5.625 2.717 1.00 0.00 C ATOM 902 O ILE A 62 23.895 -6.298 1.688 1.00 0.00 O ATOM 903 CB ILE A 62 21.841 -6.715 3.762 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.392 -6.544 4.334 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.693 -7.549 4.743 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.306 -6.376 3.291 1.00 0.00 C ATOM 0 H ILE A 62 21.533 -4.816 1.650 1.00 0.00 H new ATOM 0 HA ILE A 62 22.709 -4.805 4.372 1.00 0.00 H new ATOM 0 HB ILE A 62 21.751 -7.242 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.155 -7.414 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.378 -5.676 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.186 -8.490 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.666 -7.753 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.829 -6.993 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.341 -6.265 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.511 -5.489 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.284 -7.253 2.644 1.00 0.00 H new ATOM 918 N HIS A 63 25.032 -5.132 3.251 1.00 0.00 N ATOM 919 CA HIS A 63 26.364 -5.492 2.708 1.00 0.00 C ATOM 920 C HIS A 63 26.840 -6.790 3.365 1.00 0.00 C ATOM 921 O HIS A 63 27.509 -6.784 4.400 1.00 0.00 O ATOM 922 CB HIS A 63 27.410 -4.345 2.853 1.00 0.00 C ATOM 923 CG HIS A 63 27.386 -3.340 1.722 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.481 -2.564 1.434 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.398 -3.047 0.837 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.139 -1.828 0.399 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.889 -2.087 -0.007 1.00 0.00 N ATOM 0 H HIS A 63 25.059 -4.493 4.046 1.00 0.00 H new ATOM 0 HA HIS A 63 26.263 -5.650 1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.232 -3.822 3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.407 -4.782 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.412 -3.488 0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.788 -1.102 -0.068 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.399 -1.654 -0.790 1.00 0.00 H new ATOM 935 N SER A 64 26.404 -7.899 2.760 1.00 0.00 N ATOM 936 CA SER A 64 26.761 -9.256 3.161 1.00 0.00 C ATOM 937 C SER A 64 28.133 -9.607 2.584 1.00 0.00 C ATOM 938 O SER A 64 28.246 -10.273 1.551 1.00 0.00 O ATOM 939 CB SER A 64 25.682 -10.209 2.629 1.00 0.00 C ATOM 940 OG SER A 64 24.395 -9.760 2.995 1.00 0.00 O ATOM 0 H SER A 64 25.776 -7.873 1.957 1.00 0.00 H new ATOM 0 HA SER A 64 26.816 -9.342 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.754 -10.278 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.849 -11.211 3.023 1.00 0.00 H new ATOM 0 HG SER A 64 23.922 -9.440 2.199 1.00 0.00 H new ATOM 946 N VAL A 65 29.191 -9.120 3.224 1.00 0.00 N ATOM 947 CA VAL A 65 30.546 -9.198 2.658 1.00 0.00 C ATOM 948 C VAL A 65 31.534 -9.824 3.648 1.00 0.00 C ATOM 949 O VAL A 65 31.296 -9.874 4.855 1.00 0.00 O ATOM 950 CB VAL A 65 31.028 -7.774 2.191 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.124 -7.216 1.061 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.095 -6.784 3.376 1.00 0.00 C ATOM 0 H VAL A 65 29.143 -8.666 4.136 1.00 0.00 H new ATOM 0 HA VAL A 65 30.511 -9.850 1.786 1.00 0.00 H new ATOM 0 HB VAL A 65 32.036 -7.888 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.483 -6.232 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.154 -7.890 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.099 -7.134 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.431 -5.811 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.106 -6.684 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.795 -7.158 4.123 1.00 0.00 H new ATOM 962 N ALA A 66 32.625 -10.346 3.093 1.00 0.00 N ATOM 963 CA ALA A 66 33.757 -10.908 3.847 1.00 0.00 C ATOM 964 C ALA A 66 35.028 -10.080 3.558 1.00 0.00 C ATOM 965 O ALA A 66 36.059 -10.254 4.219 1.00 0.00 O ATOM 966 CB ALA A 66 33.936 -12.388 3.478 1.00 0.00 C ATOM 0 H ALA A 66 32.756 -10.394 2.083 1.00 0.00 H new ATOM 0 HA ALA A 66 33.563 -10.856 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.775 -12.803 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.027 -12.937 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.133 -12.475 2.410 1.00 0.00 H new ATOM 972 N VAL A 67 34.925 -9.185 2.547 1.00 0.00 N ATOM 973 CA VAL A 67 35.953 -8.192 2.165 1.00 0.00 C ATOM 974 C VAL A 67 35.246 -6.888 1.764 1.00 0.00 C ATOM 975 O VAL A 67 34.042 -6.900 1.481 1.00 0.00 O ATOM 976 CB VAL A 67 36.859 -8.677 0.958 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.903 -9.724 1.412 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.994 -9.215 -0.225 1.00 0.00 C ATOM 0 H VAL A 67 34.095 -9.134 1.956 1.00 0.00 H new ATOM 0 HA VAL A 67 36.609 -8.048 3.024 1.00 0.00 H new ATOM 0 HB VAL A 67 37.407 -7.807 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.505 -10.032 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.550 -9.287 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.391 -10.592 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.647 -9.539 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.394 -10.058 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.336 -8.424 -0.584 1.00 0.00 H new ATOM 988 N THR A 68 36.002 -5.779 1.742 1.00 0.00 N ATOM 989 CA THR A 68 35.504 -4.473 1.292 1.00 0.00 C ATOM 990 C THR A 68 35.073 -4.549 -0.196 1.00 0.00 C ATOM 991 O THR A 68 35.923 -4.799 -1.067 1.00 0.00 O ATOM 992 CB THR A 68 36.598 -3.364 1.474 1.00 0.00 C ATOM 993 OG1 THR A 68 37.049 -3.346 2.844 1.00 0.00 O ATOM 994 CG2 THR A 68 36.082 -1.958 1.077 1.00 0.00 C ATOM 0 H THR A 68 36.978 -5.765 2.037 1.00 0.00 H new ATOM 0 HA THR A 68 34.641 -4.210 1.903 1.00 0.00 H new ATOM 0 HB THR A 68 37.426 -3.609 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.734 -2.653 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.876 -1.225 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.779 -1.964 0.030 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.228 -1.694 1.701 1.00 0.00 H new ATOM 1002 N PRO A 69 33.744 -4.370 -0.509 1.00 0.00 N ATOM 1003 CA PRO A 69 33.253 -4.385 -1.904 1.00 0.00 C ATOM 1004 C PRO A 69 33.720 -3.123 -2.666 1.00 0.00 C ATOM 1005 O PRO A 69 33.936 -2.078 -2.045 1.00 0.00 O ATOM 1006 CB PRO A 69 31.718 -4.441 -1.735 1.00 0.00 C ATOM 1007 CG PRO A 69 31.446 -3.772 -0.422 1.00 0.00 C ATOM 1008 CD PRO A 69 32.629 -4.112 0.461 1.00 0.00 C ATOM 0 HA PRO A 69 33.632 -5.219 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.212 -3.926 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.358 -5.470 -1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.346 -2.694 -0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.514 -4.131 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.870 -3.292 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.427 -4.987 1.079 1.00 0.00 H new ATOM 1016 N GLU A 70 33.885 -3.229 -3.998 1.00 0.00 N ATOM 1017 CA GLU A 70 34.471 -2.141 -4.815 1.00 0.00 C ATOM 1018 C GLU A 70 33.536 -0.916 -4.861 1.00 0.00 C ATOM 1019 O GLU A 70 33.962 0.225 -4.639 1.00 0.00 O ATOM 1020 CB GLU A 70 34.780 -2.632 -6.264 1.00 0.00 C ATOM 1021 CG GLU A 70 35.588 -3.944 -6.358 1.00 0.00 C ATOM 1022 CD GLU A 70 36.978 -3.871 -5.694 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.934 -3.388 -6.343 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.121 -4.297 -4.525 1.00 0.00 O ATOM 0 H GLU A 70 33.622 -4.056 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 70 35.407 -1.845 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.837 -2.767 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.329 -1.848 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.015 -4.746 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.711 -4.209 -7.408 1.00 0.00 H new ATOM 1031 N ASP A 71 32.244 -1.186 -5.089 1.00 0.00 N ATOM 1032 CA ASP A 71 31.227 -0.151 -5.384 1.00 0.00 C ATOM 1033 C ASP A 71 30.559 0.393 -4.107 1.00 0.00 C ATOM 1034 O ASP A 71 29.557 1.112 -4.187 1.00 0.00 O ATOM 1035 CB ASP A 71 30.176 -0.749 -6.353 1.00 0.00 C ATOM 1036 CG ASP A 71 30.821 -1.293 -7.642 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.359 -2.415 -7.621 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.815 -0.606 -8.679 1.00 0.00 O ATOM 0 H ASP A 71 31.866 -2.133 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 71 31.721 0.700 -5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.636 -1.552 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.443 0.016 -6.610 1.00 0.00 H new ATOM 1043 N ASN A 72 31.176 0.100 -2.937 1.00 0.00 N ATOM 1044 CA ASN A 72 30.658 0.460 -1.590 1.00 0.00 C ATOM 1045 C ASN A 72 30.383 1.982 -1.437 1.00 0.00 C ATOM 1046 O ASN A 72 29.501 2.392 -0.669 1.00 0.00 O ATOM 1047 CB ASN A 72 31.671 -0.030 -0.511 1.00 0.00 C ATOM 1048 CG ASN A 72 32.924 0.853 -0.381 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.002 1.724 0.480 1.00 0.00 O ATOM 1050 ND2 ASN A 72 33.887 0.663 -1.271 1.00 0.00 N ATOM 0 H ASN A 72 32.063 -0.402 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 72 29.696 -0.035 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.166 -0.071 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.980 -1.047 -0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 72 34.722 1.249 -1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.794 -0.069 -1.975 1.00 0.00 H new ATOM 1057 N GLU A 73 31.136 2.782 -2.220 1.00 0.00 N ATOM 1058 CA GLU A 73 31.085 4.259 -2.219 1.00 0.00 C ATOM 1059 C GLU A 73 29.671 4.816 -2.509 1.00 0.00 C ATOM 1060 O GLU A 73 29.283 5.859 -1.981 1.00 0.00 O ATOM 1061 CB GLU A 73 32.083 4.808 -3.272 1.00 0.00 C ATOM 1062 CG GLU A 73 31.797 4.350 -4.728 1.00 0.00 C ATOM 1063 CD GLU A 73 32.638 5.091 -5.782 1.00 0.00 C ATOM 1064 OE1 GLU A 73 32.459 6.320 -5.938 1.00 0.00 O ATOM 1065 OE2 GLU A 73 33.458 4.451 -6.476 1.00 0.00 O ATOM 0 H GLU A 73 31.813 2.410 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 73 31.358 4.589 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.066 5.897 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.090 4.496 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 73 31.989 3.280 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 73 30.740 4.501 -4.947 1.00 0.00 H new ATOM 1072 N ARG A 74 28.921 4.095 -3.352 1.00 0.00 N ATOM 1073 CA ARG A 74 27.584 4.509 -3.827 1.00 0.00 C ATOM 1074 C ARG A 74 26.544 4.379 -2.708 1.00 0.00 C ATOM 1075 O ARG A 74 25.655 5.219 -2.546 1.00 0.00 O ATOM 1076 CB ARG A 74 27.184 3.617 -5.028 1.00 0.00 C ATOM 1077 CG ARG A 74 28.170 3.661 -6.211 1.00 0.00 C ATOM 1078 CD ARG A 74 27.838 2.621 -7.291 1.00 0.00 C ATOM 1079 NE ARG A 74 28.811 2.661 -8.388 1.00 0.00 N ATOM 1080 CZ ARG A 74 28.920 1.753 -9.362 1.00 0.00 C ATOM 1081 NH1 ARG A 74 28.113 0.692 -9.420 1.00 0.00 N ATOM 1082 NH2 ARG A 74 29.884 1.883 -10.257 1.00 0.00 N ATOM 0 H ARG A 74 29.224 3.198 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 74 27.620 5.554 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.093 2.586 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.199 3.924 -5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.157 4.657 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.182 3.488 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 74 27.827 1.625 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 74 26.838 2.807 -7.682 1.00 0.00 H new ATOM 0 HE ARG A 74 29.459 3.448 -8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 74 27.392 0.560 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 74 28.217 0.013 -10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.532 2.669 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 74 29.980 1.198 -11.006 1.00 0.00 H new ATOM 1096 N PHE A 75 26.705 3.312 -1.927 1.00 0.00 N ATOM 1097 CA PHE A 75 25.775 2.916 -0.864 1.00 0.00 C ATOM 1098 C PHE A 75 25.947 3.795 0.393 1.00 0.00 C ATOM 1099 O PHE A 75 25.087 3.790 1.270 1.00 0.00 O ATOM 1100 CB PHE A 75 26.002 1.421 -0.540 1.00 0.00 C ATOM 1101 CG PHE A 75 25.887 0.505 -1.761 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.000 0.228 -2.555 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.674 -0.065 -2.117 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.899 -0.587 -3.661 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.575 -0.878 -3.221 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.688 -1.146 -3.992 1.00 0.00 C ATOM 0 H PHE A 75 27.503 2.683 -2.016 1.00 0.00 H new ATOM 0 HA PHE A 75 24.751 3.062 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 75 26.991 1.300 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.276 1.106 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.956 0.659 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.796 0.132 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.770 -0.786 -4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.621 -1.309 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.607 -1.793 -4.853 1.00 0.00 H new ATOM 1116 N GLU A 76 27.053 4.569 0.430 1.00 0.00 N ATOM 1117 CA GLU A 76 27.394 5.502 1.533 1.00 0.00 C ATOM 1118 C GLU A 76 26.252 6.509 1.828 1.00 0.00 C ATOM 1119 O GLU A 76 26.046 6.904 2.977 1.00 0.00 O ATOM 1120 CB GLU A 76 28.700 6.259 1.159 1.00 0.00 C ATOM 1121 CG GLU A 76 29.198 7.304 2.183 1.00 0.00 C ATOM 1122 CD GLU A 76 30.409 8.110 1.677 1.00 0.00 C ATOM 1123 OE1 GLU A 76 30.222 8.999 0.813 1.00 0.00 O ATOM 1124 OE2 GLU A 76 31.556 7.845 2.114 1.00 0.00 O ATOM 0 H GLU A 76 27.748 4.565 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 76 27.539 4.920 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.491 5.524 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 76 28.544 6.762 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 76 28.385 7.990 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.467 6.797 3.110 1.00 0.00 H new ATOM 1131 N SER A 77 25.515 6.905 0.774 1.00 0.00 N ATOM 1132 CA SER A 77 24.422 7.897 0.873 1.00 0.00 C ATOM 1133 C SER A 77 23.152 7.325 1.549 1.00 0.00 C ATOM 1134 O SER A 77 22.304 8.088 2.023 1.00 0.00 O ATOM 1135 CB SER A 77 24.084 8.425 -0.539 1.00 0.00 C ATOM 1136 OG SER A 77 23.708 7.373 -1.419 1.00 0.00 O ATOM 0 H SER A 77 25.658 6.548 -0.171 1.00 0.00 H new ATOM 0 HA SER A 77 24.772 8.711 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 77 23.273 9.150 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 77 24.948 8.950 -0.947 1.00 0.00 H new ATOM 0 HG SER A 77 24.511 6.907 -1.734 1.00 0.00 H new ATOM 1142 N ARG A 78 23.032 5.982 1.584 1.00 0.00 N ATOM 1143 CA ARG A 78 21.803 5.277 2.012 1.00 0.00 C ATOM 1144 C ARG A 78 22.032 4.455 3.300 1.00 0.00 C ATOM 1145 O ARG A 78 23.176 4.289 3.751 1.00 0.00 O ATOM 1146 CB ARG A 78 21.323 4.358 0.861 1.00 0.00 C ATOM 1147 CG ARG A 78 21.044 5.074 -0.480 1.00 0.00 C ATOM 1148 CD ARG A 78 19.862 6.054 -0.401 1.00 0.00 C ATOM 1149 NE ARG A 78 19.637 6.727 -1.690 1.00 0.00 N ATOM 1150 CZ ARG A 78 18.815 7.764 -1.903 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.086 8.287 -0.924 1.00 0.00 N ATOM 1152 NH2 ARG A 78 18.737 8.286 -3.119 1.00 0.00 N ATOM 0 H ARG A 78 23.788 5.352 1.315 1.00 0.00 H new ATOM 0 HA ARG A 78 21.038 6.019 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.077 3.588 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.413 3.849 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.938 5.615 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.840 4.328 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 78 18.960 5.516 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.055 6.799 0.371 1.00 0.00 H new ATOM 0 HE ARG A 78 20.154 6.372 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.144 7.899 0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.468 9.076 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.298 7.898 -3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.116 9.075 -3.296 1.00 0.00 H new ATOM 1166 N ASP A 79 20.922 3.943 3.881 1.00 0.00 N ATOM 1167 CA ASP A 79 20.950 3.135 5.117 1.00 0.00 C ATOM 1168 C ASP A 79 21.424 1.703 4.805 1.00 0.00 C ATOM 1169 O ASP A 79 20.631 0.841 4.388 1.00 0.00 O ATOM 1170 CB ASP A 79 19.549 3.100 5.804 1.00 0.00 C ATOM 1171 CG ASP A 79 19.049 4.486 6.272 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.766 5.157 7.052 1.00 0.00 O ATOM 1173 OD2 ASP A 79 17.933 4.904 5.886 1.00 0.00 O ATOM 0 H ASP A 79 19.984 4.080 3.504 1.00 0.00 H new ATOM 0 HA ASP A 79 21.652 3.602 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.824 2.678 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.593 2.431 6.663 1.00 0.00 H new ATOM 1178 N VAL A 80 22.736 1.475 4.960 1.00 0.00 N ATOM 1179 CA VAL A 80 23.350 0.155 4.751 1.00 0.00 C ATOM 1180 C VAL A 80 23.556 -0.552 6.093 1.00 0.00 C ATOM 1181 O VAL A 80 23.942 0.069 7.090 1.00 0.00 O ATOM 1182 CB VAL A 80 24.716 0.259 3.986 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.327 -1.131 3.706 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.546 1.052 2.683 1.00 0.00 C ATOM 0 H VAL A 80 23.401 2.199 5.233 1.00 0.00 H new ATOM 0 HA VAL A 80 22.667 -0.428 4.134 1.00 0.00 H new ATOM 0 HB VAL A 80 25.412 0.794 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.272 -1.013 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.503 -1.648 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.638 -1.715 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.504 1.113 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.821 0.549 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.193 2.057 2.912 1.00 0.00 H new ATOM 1194 N TYR A 81 23.287 -1.858 6.088 1.00 0.00 N ATOM 1195 CA TYR A 81 23.422 -2.738 7.242 1.00 0.00 C ATOM 1196 C TYR A 81 24.504 -3.775 6.903 1.00 0.00 C ATOM 1197 O TYR A 81 24.230 -4.797 6.259 1.00 0.00 O ATOM 1198 CB TYR A 81 22.038 -3.376 7.580 1.00 0.00 C ATOM 1199 CG TYR A 81 20.951 -2.324 7.913 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.239 -1.666 6.898 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.663 -1.967 9.232 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.298 -0.699 7.188 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.711 -1.000 9.524 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.034 -0.370 8.496 1.00 0.00 C ATOM 1205 OH TYR A 81 18.085 0.591 8.780 1.00 0.00 O ATOM 0 H TYR A 81 22.959 -2.344 5.254 1.00 0.00 H new ATOM 0 HA TYR A 81 23.731 -2.198 8.137 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.706 -3.978 6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.153 -4.052 8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.432 -1.922 5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.191 -2.452 10.040 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.770 -0.201 6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.500 -0.740 10.551 1.00 0.00 H new ATOM 0 HH TYR A 81 18.017 0.706 9.751 1.00 0.00 H new ATOM 1215 N GLU A 82 25.763 -3.441 7.259 1.00 0.00 N ATOM 1216 CA GLU A 82 26.941 -4.259 6.935 1.00 0.00 C ATOM 1217 C GLU A 82 27.090 -5.416 7.931 1.00 0.00 C ATOM 1218 O GLU A 82 27.145 -5.210 9.148 1.00 0.00 O ATOM 1219 CB GLU A 82 28.224 -3.387 6.916 1.00 0.00 C ATOM 1220 CG GLU A 82 28.160 -2.218 5.916 1.00 0.00 C ATOM 1221 CD GLU A 82 29.435 -1.355 5.893 1.00 0.00 C ATOM 1222 OE1 GLU A 82 29.707 -0.665 6.896 1.00 0.00 O ATOM 1223 OE2 GLU A 82 30.166 -1.358 4.879 1.00 0.00 O ATOM 0 H GLU A 82 25.987 -2.593 7.780 1.00 0.00 H new ATOM 0 HA GLU A 82 26.798 -4.681 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.398 -2.990 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.078 -4.018 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.982 -2.615 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.308 -1.585 6.164 1.00 0.00 H new ATOM 1230 N ILE A 83 27.132 -6.626 7.383 1.00 0.00 N ATOM 1231 CA ILE A 83 27.307 -7.885 8.124 1.00 0.00 C ATOM 1232 C ILE A 83 28.411 -8.716 7.437 1.00 0.00 C ATOM 1233 O ILE A 83 28.983 -8.291 6.412 1.00 0.00 O ATOM 1234 CB ILE A 83 25.969 -8.726 8.148 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.532 -9.068 6.682 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.832 -7.992 8.922 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.405 -10.063 6.568 1.00 0.00 C ATOM 0 H ILE A 83 27.043 -6.770 6.377 1.00 0.00 H new ATOM 0 HA ILE A 83 27.582 -7.648 9.152 1.00 0.00 H new ATOM 0 HB ILE A 83 26.160 -9.655 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.234 -8.146 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.396 -9.457 6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.931 -8.606 8.913 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.145 -7.821 9.952 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.624 -7.036 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.176 -10.234 5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.702 -11.004 7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.522 -9.672 7.073 1.00 0.00 H new ATOM 1249 N THR A 84 28.707 -9.896 7.990 1.00 0.00 N ATOM 1250 CA THR A 84 29.516 -10.891 7.303 1.00 0.00 C ATOM 1251 C THR A 84 28.632 -11.654 6.297 1.00 0.00 C ATOM 1252 O THR A 84 27.419 -11.796 6.507 1.00 0.00 O ATOM 1253 CB THR A 84 30.160 -11.884 8.310 1.00 0.00 C ATOM 1254 OG1 THR A 84 30.613 -11.172 9.466 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.351 -12.629 7.695 1.00 0.00 C ATOM 0 H THR A 84 28.393 -10.181 8.918 1.00 0.00 H new ATOM 0 HA THR A 84 30.323 -10.383 6.775 1.00 0.00 H new ATOM 0 HB THR A 84 29.398 -12.615 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 84 31.017 -11.801 10.100 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.772 -13.313 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.017 -13.194 6.825 1.00 0.00 H new ATOM 0 HG23 THR A 84 32.112 -11.910 7.390 1.00 0.00 H new ATOM 1263 N LEU A 85 29.251 -12.148 5.217 1.00 0.00 N ATOM 1264 CA LEU A 85 28.541 -12.869 4.134 1.00 0.00 C ATOM 1265 C LEU A 85 27.888 -14.173 4.651 1.00 0.00 C ATOM 1266 O LEU A 85 26.839 -14.587 4.148 1.00 0.00 O ATOM 1267 CB LEU A 85 29.523 -13.124 2.948 1.00 0.00 C ATOM 1268 CG LEU A 85 28.888 -13.607 1.587 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.681 -13.077 0.374 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.772 -15.143 1.513 1.00 0.00 C ATOM 0 H LEU A 85 30.256 -12.063 5.062 1.00 0.00 H new ATOM 0 HA LEU A 85 27.722 -12.249 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.072 -12.202 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.252 -13.869 3.266 1.00 0.00 H new ATOM 0 HG LEU A 85 27.881 -13.192 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.216 -13.429 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.681 -11.987 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.708 -13.440 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.330 -15.429 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.763 -15.587 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.141 -15.500 2.327 1.00 0.00 H new ATOM 1282 N GLN A 86 28.504 -14.783 5.683 1.00 0.00 N ATOM 1283 CA GLN A 86 27.999 -16.024 6.304 1.00 0.00 C ATOM 1284 C GLN A 86 26.634 -15.797 6.986 1.00 0.00 C ATOM 1285 O GLN A 86 25.758 -16.666 6.940 1.00 0.00 O ATOM 1286 CB GLN A 86 29.030 -16.560 7.332 1.00 0.00 C ATOM 1287 CG GLN A 86 28.600 -17.850 8.061 1.00 0.00 C ATOM 1288 CD GLN A 86 29.652 -18.386 9.032 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.645 -18.059 10.219 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.569 -19.209 8.531 1.00 0.00 N ATOM 0 H GLN A 86 29.362 -14.431 6.108 1.00 0.00 H new ATOM 0 HA GLN A 86 27.859 -16.764 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 86 29.973 -16.746 6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.220 -15.785 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.677 -17.657 8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.377 -18.618 7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.545 -19.459 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.297 -19.590 9.135 1.00 0.00 H new ATOM 1299 N ASP A 87 26.473 -14.605 7.600 1.00 0.00 N ATOM 1300 CA ASP A 87 25.243 -14.207 8.318 1.00 0.00 C ATOM 1301 C ASP A 87 24.042 -14.172 7.348 1.00 0.00 C ATOM 1302 O ASP A 87 22.931 -14.528 7.711 1.00 0.00 O ATOM 1303 CB ASP A 87 25.446 -12.819 8.995 1.00 0.00 C ATOM 1304 CG ASP A 87 24.522 -12.563 10.206 1.00 0.00 C ATOM 1305 OD1 ASP A 87 23.320 -12.320 10.022 1.00 0.00 O ATOM 1306 OD2 ASP A 87 25.013 -12.587 11.358 1.00 0.00 O ATOM 0 H ASP A 87 27.198 -13.887 7.611 1.00 0.00 H new ATOM 0 HA ASP A 87 25.032 -14.943 9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.483 -12.734 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.279 -12.038 8.253 1.00 0.00 H new ATOM 1311 N ALA A 88 24.317 -13.787 6.088 1.00 0.00 N ATOM 1312 CA ALA A 88 23.303 -13.691 5.015 1.00 0.00 C ATOM 1313 C ALA A 88 22.824 -15.064 4.516 1.00 0.00 C ATOM 1314 O ALA A 88 21.852 -15.153 3.762 1.00 0.00 O ATOM 1315 CB ALA A 88 23.882 -12.889 3.858 1.00 0.00 C ATOM 0 H ALA A 88 25.256 -13.531 5.781 1.00 0.00 H new ATOM 0 HA ALA A 88 22.429 -13.191 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.142 -12.813 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.147 -11.890 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.773 -13.389 3.478 1.00 0.00 H new ATOM 1321 N ILE A 89 23.533 -16.116 4.921 1.00 0.00 N ATOM 1322 CA ILE A 89 23.201 -17.502 4.574 1.00 0.00 C ATOM 1323 C ILE A 89 22.391 -18.144 5.716 1.00 0.00 C ATOM 1324 O ILE A 89 21.300 -18.675 5.490 1.00 0.00 O ATOM 1325 CB ILE A 89 24.531 -18.301 4.301 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.313 -17.642 3.116 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.264 -19.801 4.032 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.730 -18.142 2.917 1.00 0.00 C ATOM 0 H ILE A 89 24.364 -16.032 5.506 1.00 0.00 H new ATOM 0 HA ILE A 89 22.590 -17.525 3.672 1.00 0.00 H new ATOM 0 HB ILE A 89 25.145 -18.252 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.754 -17.809 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.345 -16.565 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.209 -20.312 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.774 -20.244 4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.620 -19.905 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.184 -17.623 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.314 -17.949 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.713 -19.214 2.718 1.00 0.00 H new ATOM 1340 N LYS A 90 22.942 -18.066 6.942 1.00 0.00 N ATOM 1341 CA LYS A 90 22.346 -18.692 8.148 1.00 0.00 C ATOM 1342 C LYS A 90 21.091 -17.934 8.627 1.00 0.00 C ATOM 1343 O LYS A 90 20.068 -18.544 8.960 1.00 0.00 O ATOM 1344 CB LYS A 90 23.394 -18.764 9.308 1.00 0.00 C ATOM 1345 CG LYS A 90 24.089 -17.420 9.639 1.00 0.00 C ATOM 1346 CD LYS A 90 24.891 -17.401 10.969 1.00 0.00 C ATOM 1347 CE LYS A 90 26.153 -18.290 10.973 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.850 -19.739 11.126 1.00 0.00 N ATOM 0 H LYS A 90 23.813 -17.568 7.129 1.00 0.00 H new ATOM 0 HA LYS A 90 22.046 -19.702 7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.897 -19.131 10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.157 -19.496 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.765 -17.168 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.331 -16.637 9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.186 -16.374 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.235 -17.721 11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.701 -18.136 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.809 -17.975 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.562 -20.179 11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.907 -19.854 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.870 -20.198 10.193 1.00 0.00 H new ATOM 1362 N ASN A 91 21.182 -16.600 8.612 1.00 0.00 N ATOM 1363 CA ASN A 91 20.217 -15.694 9.258 1.00 0.00 C ATOM 1364 C ASN A 91 19.538 -14.800 8.199 1.00 0.00 C ATOM 1365 O ASN A 91 19.068 -13.725 8.525 1.00 0.00 O ATOM 1366 CB ASN A 91 20.979 -14.815 10.295 1.00 0.00 C ATOM 1367 CG ASN A 91 20.069 -14.032 11.251 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.075 -14.554 11.752 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.352 -12.754 11.437 1.00 0.00 N ATOM 0 H ASN A 91 21.942 -16.107 8.143 1.00 0.00 H new ATOM 0 HA ASN A 91 19.444 -16.274 9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.637 -15.455 10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.615 -14.110 9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.738 -12.174 12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.184 -12.348 11.009 1.00 0.00 H new ATOM 1376 N ALA A 92 19.454 -15.284 6.946 1.00 0.00 N ATOM 1377 CA ALA A 92 18.939 -14.499 5.791 1.00 0.00 C ATOM 1378 C ALA A 92 17.607 -13.771 6.101 1.00 0.00 C ATOM 1379 O ALA A 92 17.529 -12.521 6.063 1.00 0.00 O ATOM 1380 CB ALA A 92 18.777 -15.425 4.586 1.00 0.00 C ATOM 0 H ALA A 92 19.740 -16.231 6.698 1.00 0.00 H new ATOM 0 HA ALA A 92 19.668 -13.719 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.400 -14.855 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.743 -15.861 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.073 -16.220 4.830 1.00 0.00 H new ATOM 1386 N ALA A 93 16.593 -14.572 6.469 1.00 0.00 N ATOM 1387 CA ALA A 93 15.270 -14.063 6.846 1.00 0.00 C ATOM 1388 C ALA A 93 15.347 -13.219 8.119 1.00 0.00 C ATOM 1389 O ALA A 93 14.632 -12.227 8.226 1.00 0.00 O ATOM 1390 CB ALA A 93 14.276 -15.222 7.011 1.00 0.00 C ATOM 0 H ALA A 93 16.670 -15.588 6.512 1.00 0.00 H new ATOM 0 HA ALA A 93 14.912 -13.417 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.299 -14.827 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.191 -15.766 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.631 -15.897 7.790 1.00 0.00 H new ATOM 1396 N GLY A 94 16.265 -13.605 9.037 1.00 0.00 N ATOM 1397 CA GLY A 94 16.449 -12.923 10.312 1.00 0.00 C ATOM 1398 C GLY A 94 16.846 -11.465 10.134 1.00 0.00 C ATOM 1399 O GLY A 94 16.175 -10.582 10.642 1.00 0.00 O ATOM 0 H GLY A 94 16.891 -14.399 8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.525 -12.978 10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.216 -13.438 10.890 1.00 0.00 H new ATOM 1403 N ILE A 95 17.896 -11.237 9.334 1.00 0.00 N ATOM 1404 CA ILE A 95 18.454 -9.903 9.042 1.00 0.00 C ATOM 1405 C ILE A 95 17.358 -8.989 8.484 1.00 0.00 C ATOM 1406 O ILE A 95 17.104 -7.909 9.016 1.00 0.00 O ATOM 1407 CB ILE A 95 19.596 -10.022 7.975 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.699 -11.009 8.440 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.209 -8.639 7.625 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.450 -11.642 7.296 1.00 0.00 C ATOM 0 H ILE A 95 18.395 -11.990 8.859 1.00 0.00 H new ATOM 0 HA ILE A 95 18.852 -9.484 9.966 1.00 0.00 H new ATOM 0 HB ILE A 95 19.142 -10.419 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.404 -10.480 9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.244 -11.793 9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.996 -8.767 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.433 -7.988 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.629 -8.189 8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.207 -12.321 7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.754 -12.198 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.933 -10.865 6.703 1.00 0.00 H new ATOM 1422 N ILE A 96 16.706 -9.487 7.426 1.00 0.00 N ATOM 1423 CA ILE A 96 15.662 -8.764 6.690 1.00 0.00 C ATOM 1424 C ILE A 96 14.500 -8.334 7.621 1.00 0.00 C ATOM 1425 O ILE A 96 14.181 -7.146 7.670 1.00 0.00 O ATOM 1426 CB ILE A 96 15.190 -9.658 5.484 1.00 0.00 C ATOM 1427 CG1 ILE A 96 16.358 -9.742 4.435 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.875 -9.157 4.832 1.00 0.00 C ATOM 1429 CD1 ILE A 96 16.192 -10.781 3.353 1.00 0.00 C ATOM 0 H ILE A 96 16.892 -10.418 7.052 1.00 0.00 H new ATOM 0 HA ILE A 96 16.064 -7.833 6.291 1.00 0.00 H new ATOM 0 HB ILE A 96 14.959 -10.653 5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.468 -8.766 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.287 -9.944 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.604 -9.816 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 96 13.077 -9.158 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.019 -8.144 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.053 -10.752 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 96 16.117 -11.769 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.286 -10.573 2.785 1.00 0.00 H new ATOM 1441 N LYS A 97 13.935 -9.282 8.413 1.00 0.00 N ATOM 1442 CA LYS A 97 12.788 -8.984 9.319 1.00 0.00 C ATOM 1443 C LYS A 97 13.194 -8.053 10.478 1.00 0.00 C ATOM 1444 O LYS A 97 12.366 -7.285 10.975 1.00 0.00 O ATOM 1445 CB LYS A 97 12.104 -10.288 9.850 1.00 0.00 C ATOM 1446 CG LYS A 97 13.004 -11.284 10.646 1.00 0.00 C ATOM 1447 CD LYS A 97 13.245 -10.940 12.139 1.00 0.00 C ATOM 1448 CE LYS A 97 11.967 -10.932 12.980 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.266 -10.673 14.412 1.00 0.00 N ATOM 0 H LYS A 97 14.250 -10.252 8.445 1.00 0.00 H new ATOM 0 HA LYS A 97 12.050 -8.452 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.271 -9.997 10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.681 -10.820 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.552 -12.274 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.971 -11.346 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.943 -11.662 12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.720 -9.961 12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.286 -10.168 12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.457 -11.890 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.576 -11.175 15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.224 -11.011 14.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.207 -9.652 14.600 1.00 0.00 H new ATOM 1463 N GLU A 98 14.473 -8.151 10.903 1.00 0.00 N ATOM 1464 CA GLU A 98 15.046 -7.294 11.958 1.00 0.00 C ATOM 1465 C GLU A 98 15.037 -5.828 11.498 1.00 0.00 C ATOM 1466 O GLU A 98 14.693 -4.933 12.267 1.00 0.00 O ATOM 1467 CB GLU A 98 16.499 -7.742 12.307 1.00 0.00 C ATOM 1468 CG GLU A 98 16.632 -9.015 13.170 1.00 0.00 C ATOM 1469 CD GLU A 98 16.007 -8.911 14.568 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.633 -8.302 15.464 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.909 -9.459 14.793 1.00 0.00 O ATOM 0 H GLU A 98 15.135 -8.827 10.523 1.00 0.00 H new ATOM 0 HA GLU A 98 14.436 -7.392 12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.041 -7.902 11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.994 -6.922 12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.167 -9.847 12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.690 -9.256 13.277 1.00 0.00 H new ATOM 1478 N ILE A 99 15.382 -5.606 10.222 1.00 0.00 N ATOM 1479 CA ILE A 99 15.468 -4.253 9.647 1.00 0.00 C ATOM 1480 C ILE A 99 14.050 -3.719 9.370 1.00 0.00 C ATOM 1481 O ILE A 99 13.780 -2.537 9.542 1.00 0.00 O ATOM 1482 CB ILE A 99 16.317 -4.249 8.326 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.728 -4.877 8.569 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.452 -2.819 7.759 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.498 -5.187 7.297 1.00 0.00 C ATOM 0 H ILE A 99 15.608 -6.351 9.563 1.00 0.00 H new ATOM 0 HA ILE A 99 15.968 -3.604 10.366 1.00 0.00 H new ATOM 0 HB ILE A 99 15.792 -4.859 7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.317 -4.193 9.180 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.610 -5.796 9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.044 -2.845 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.462 -2.420 7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.945 -2.182 8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.465 -5.620 7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.932 -5.896 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.650 -4.268 6.731 1.00 0.00 H new ATOM 1497 N GLU A 100 13.158 -4.636 8.971 1.00 0.00 N ATOM 1498 CA GLU A 100 11.742 -4.339 8.681 1.00 0.00 C ATOM 1499 C GLU A 100 11.019 -3.789 9.915 1.00 0.00 C ATOM 1500 O GLU A 100 10.335 -2.762 9.834 1.00 0.00 O ATOM 1501 CB GLU A 100 11.048 -5.632 8.173 1.00 0.00 C ATOM 1502 CG GLU A 100 11.462 -6.048 6.751 1.00 0.00 C ATOM 1503 CD GLU A 100 10.601 -5.402 5.655 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.671 -4.164 5.469 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.850 -6.126 4.962 1.00 0.00 O ATOM 0 H GLU A 100 13.399 -5.618 8.838 1.00 0.00 H new ATOM 0 HA GLU A 100 11.695 -3.569 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.275 -6.448 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.968 -5.486 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.506 -5.778 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.396 -7.132 6.663 1.00 0.00 H new ATOM 1512 N GLU A 101 11.198 -4.477 11.061 1.00 0.00 N ATOM 1513 CA GLU A 101 10.557 -4.084 12.321 1.00 0.00 C ATOM 1514 C GLU A 101 11.175 -2.777 12.872 1.00 0.00 C ATOM 1515 O GLU A 101 10.448 -1.929 13.386 1.00 0.00 O ATOM 1516 CB GLU A 101 10.626 -5.235 13.369 1.00 0.00 C ATOM 1517 CG GLU A 101 12.037 -5.555 13.898 1.00 0.00 C ATOM 1518 CD GLU A 101 12.069 -6.699 14.925 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.818 -6.444 16.125 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.340 -7.850 14.541 1.00 0.00 O ATOM 0 H GLU A 101 11.784 -5.309 11.134 1.00 0.00 H new ATOM 0 HA GLU A 101 9.504 -3.891 12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.989 -4.974 14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.209 -6.138 12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.680 -5.816 13.057 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.456 -4.658 14.354 1.00 0.00 H new ATOM 1527 N MET A 102 12.510 -2.607 12.704 1.00 0.00 N ATOM 1528 CA MET A 102 13.241 -1.427 13.217 1.00 0.00 C ATOM 1529 C MET A 102 12.866 -0.150 12.449 1.00 0.00 C ATOM 1530 O MET A 102 12.494 0.851 13.071 1.00 0.00 O ATOM 1531 CB MET A 102 14.783 -1.649 13.186 1.00 0.00 C ATOM 1532 CG MET A 102 15.317 -2.566 14.300 1.00 0.00 C ATOM 1533 SD MET A 102 17.129 -2.669 14.350 1.00 0.00 S ATOM 1534 CE MET A 102 17.550 -3.266 12.709 1.00 0.00 C ATOM 0 H MET A 102 13.103 -3.277 12.214 1.00 0.00 H new ATOM 0 HA MET A 102 12.939 -1.296 14.256 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.057 -2.074 12.220 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.279 -0.681 13.261 1.00 0.00 H new ATOM 0 HG2 MET A 102 14.955 -2.203 15.262 1.00 0.00 H new ATOM 0 HG3 MET A 102 14.908 -3.567 14.162 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.629 -3.401 12.637 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.052 -4.219 12.530 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.224 -2.541 11.963 1.00 0.00 H new ATOM 1544 N ILE A 103 12.954 -0.205 11.105 1.00 0.00 N ATOM 1545 CA ILE A 103 12.599 0.933 10.233 1.00 0.00 C ATOM 1546 C ILE A 103 11.123 1.329 10.439 1.00 0.00 C ATOM 1547 O ILE A 103 10.827 2.496 10.682 1.00 0.00 O ATOM 1548 CB ILE A 103 12.882 0.647 8.700 1.00 0.00 C ATOM 1549 CG1 ILE A 103 14.414 0.418 8.458 1.00 0.00 C ATOM 1550 CG2 ILE A 103 12.333 1.783 7.786 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.848 0.350 6.994 1.00 0.00 C ATOM 0 H ILE A 103 13.270 -1.031 10.597 1.00 0.00 H new ATOM 0 HA ILE A 103 13.243 1.763 10.524 1.00 0.00 H new ATOM 0 HB ILE A 103 12.349 -0.265 8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.965 1.223 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.706 -0.510 8.949 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.548 1.547 6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 103 11.255 1.871 7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.811 2.726 8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.925 0.189 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.333 -0.474 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.596 1.286 6.496 1.00 0.00 H new ATOM 1563 N ALA A 104 10.216 0.338 10.401 1.00 0.00 N ATOM 1564 CA ALA A 104 8.768 0.593 10.562 1.00 0.00 C ATOM 1565 C ALA A 104 8.430 1.170 11.959 1.00 0.00 C ATOM 1566 O ALA A 104 7.476 1.924 12.098 1.00 0.00 O ATOM 1567 CB ALA A 104 7.960 -0.684 10.280 1.00 0.00 C ATOM 0 H ALA A 104 10.455 -0.644 10.261 1.00 0.00 H new ATOM 0 HA ALA A 104 8.486 1.350 9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.897 -0.477 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.149 -1.016 9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.260 -1.466 10.977 1.00 0.00 H new ATOM 1573 N SER A 105 9.244 0.840 12.978 1.00 0.00 N ATOM 1574 CA SER A 105 9.010 1.289 14.368 1.00 0.00 C ATOM 1575 C SER A 105 9.522 2.730 14.593 1.00 0.00 C ATOM 1576 O SER A 105 8.917 3.497 15.353 1.00 0.00 O ATOM 1577 CB SER A 105 9.685 0.311 15.354 1.00 0.00 C ATOM 1578 OG SER A 105 9.419 0.640 16.701 1.00 0.00 O ATOM 0 H SER A 105 10.076 0.260 12.866 1.00 0.00 H new ATOM 0 HA SER A 105 7.935 1.294 14.548 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.336 -0.702 15.154 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.762 0.316 15.187 1.00 0.00 H new ATOM 0 HG SER A 105 9.864 -0.005 17.289 1.00 0.00 H new ATOM 1584 N GLU A 106 10.646 3.091 13.936 1.00 0.00 N ATOM 1585 CA GLU A 106 11.255 4.437 14.083 1.00 0.00 C ATOM 1586 C GLU A 106 10.549 5.479 13.185 1.00 0.00 C ATOM 1587 O GLU A 106 10.490 6.665 13.536 1.00 0.00 O ATOM 1588 CB GLU A 106 12.781 4.401 13.787 1.00 0.00 C ATOM 1589 CG GLU A 106 13.151 3.958 12.362 1.00 0.00 C ATOM 1590 CD GLU A 106 14.637 4.152 12.025 1.00 0.00 C ATOM 1591 OE1 GLU A 106 15.001 5.250 11.552 1.00 0.00 O ATOM 1592 OE2 GLU A 106 15.442 3.218 12.236 1.00 0.00 O ATOM 0 H GLU A 106 11.151 2.473 13.300 1.00 0.00 H new ATOM 0 HA GLU A 106 11.118 4.742 15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.194 5.394 13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.259 3.727 14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.893 2.906 12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.549 4.519 11.648 1.00 0.00 H new ATOM 1599 N GLN A 107 10.011 5.032 12.032 1.00 0.00 N ATOM 1600 CA GLN A 107 9.291 5.919 11.097 1.00 0.00 C ATOM 1601 C GLN A 107 7.877 6.232 11.631 1.00 0.00 C ATOM 1602 O GLN A 107 7.458 7.397 11.646 1.00 0.00 O ATOM 1603 CB GLN A 107 9.223 5.302 9.667 1.00 0.00 C ATOM 1604 CG GLN A 107 10.597 5.064 8.976 1.00 0.00 C ATOM 1605 CD GLN A 107 11.381 6.327 8.581 1.00 0.00 C ATOM 1606 OE1 GLN A 107 11.275 7.387 9.199 1.00 0.00 O ATOM 1607 NE2 GLN A 107 12.209 6.213 7.550 1.00 0.00 N ATOM 0 H GLN A 107 10.062 4.060 11.726 1.00 0.00 H new ATOM 0 HA GLN A 107 9.847 6.854 11.024 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.695 4.350 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.626 5.959 9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 107 11.219 4.469 9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.432 4.468 8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 107 12.283 5.327 7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.772 7.012 7.257 1.00 0.00 H new ATOM 1616 N GLN A 108 7.161 5.185 12.085 1.00 0.00 N ATOM 1617 CA GLN A 108 5.798 5.323 12.634 1.00 0.00 C ATOM 1618 C GLN A 108 5.854 5.881 14.083 1.00 0.00 C ATOM 1619 O GLN A 108 5.404 7.026 14.307 1.00 0.00 O ATOM 1620 CB GLN A 108 5.039 3.961 12.589 1.00 0.00 C ATOM 1621 CG GLN A 108 4.855 3.369 11.172 1.00 0.00 C ATOM 1622 CD GLN A 108 4.030 4.249 10.227 1.00 0.00 C ATOM 1623 OE1 GLN A 108 3.121 4.969 10.648 1.00 0.00 O ATOM 1624 NE2 GLN A 108 4.337 4.190 8.941 1.00 0.00 N ATOM 1625 OXT GLN A 108 6.380 5.182 14.974 1.00 0.00 O ATOM 0 H GLN A 108 7.508 4.226 12.082 1.00 0.00 H new ATOM 0 HA GLN A 108 5.247 6.031 12.015 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.579 3.239 13.202 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.057 4.093 13.043 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.837 3.201 10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.373 2.395 11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.094 3.584 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.816 4.750 8.266 1.00 0.00 H new TER 1634 GLN A 108