USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1094 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 40:sc= 0.981 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -120:sc= 0.11 (180deg=-0.00408) USER MOD Set 2.2: A 105 CYS SG : rot 180:sc= -1.41 USER MOD Set 3.1: A 33 GLN : amide:sc= -1.83! C(o=-1.9!,f=-3.3!) USER MOD Set 3.2: A 37 GLN :FLIP amide:sc= -0.0462 F(o=-4.2,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0142 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 0.671 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -152:sc= -0.236 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -140:sc= -1.77 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 83:sc= -1.77 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 60:sc= 0.303 USER MOD Single : A 31 THR OG1 : rot -123:sc= 0.27 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.346 USER MOD Single : A 40 THR OG1 : rot -115:sc= -0.619 USER MOD Single : A 41 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.11) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -112:sc= 0.88 (180deg=-0.00411) USER MOD Single : A 55 HIS : no HE2:sc= -9.43! C(o=-9.4!,f=-13!) USER MOD Single : A 56 MET CE :methyl 147:sc=-0.00453 (180deg=-0.434) USER MOD Single : A 60 ASN : amide:sc= 0.371 K(o=0.37,f=-1.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -3:sc= 0.83 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -10.1! C(o=-12!,f=-10!) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.00744 (180deg=0.00349) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -21:sc= 1.1 USER MOD Single : A 87 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.5!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 145:sc= 0.0904 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.443 X(o=0.44,f=0) USER MOD Single : A 102 THR OG1 : rot 99:sc= 0.736 USER MOD Single : A 106 MET CE :methyl -151:sc= -6.93! (180deg=-9.59!) USER MOD Single : A 119 THR OG1 : rot 74:sc= -0.265 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 124 GLN : amide:sc= -2.36 K(o=-2.4,f=-3!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 145:sc= -1.5 (180deg=-3.11!) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 100:sc= 0.244 USER MOD Single : A 137 TYR OH : rot 165:sc= -0.777 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.818 -14.430 9.027 1.00 0.00 N ATOM 2 CA GLY A 1 20.985 -14.227 8.190 1.00 0.00 C ATOM 3 C GLY A 1 20.995 -12.862 7.531 1.00 0.00 C ATOM 4 O GLY A 1 19.950 -12.352 7.128 1.00 0.00 O ATOM 0 H1 GLY A 1 19.440 -15.386 8.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.085 -14.323 10.026 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.091 -13.727 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.886 -14.342 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.015 -14.999 7.421 1.00 0.00 H new ATOM 8 N SER A 2 22.179 -12.267 7.422 1.00 0.00 N ATOM 9 CA SER A 2 22.320 -10.950 6.812 1.00 0.00 C ATOM 10 C SER A 2 23.733 -10.749 6.273 1.00 0.00 C ATOM 11 O SER A 2 24.711 -11.164 6.896 1.00 0.00 O ATOM 12 CB SER A 2 21.989 -9.856 7.829 1.00 0.00 C ATOM 13 OG SER A 2 20.595 -9.792 8.073 1.00 0.00 O ATOM 0 H SER A 2 23.054 -12.676 7.748 1.00 0.00 H new ATOM 0 HA SER A 2 21.620 -10.886 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.516 -10.052 8.763 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.341 -8.893 7.460 1.00 0.00 H new ATOM 0 HG SER A 2 20.160 -10.584 7.693 1.00 0.00 H new ATOM 19 N SER A 3 23.832 -10.111 5.112 1.00 0.00 N ATOM 20 CA SER A 3 25.124 -9.857 4.486 1.00 0.00 C ATOM 21 C SER A 3 25.345 -8.362 4.281 1.00 0.00 C ATOM 22 O SER A 3 24.413 -7.622 3.969 1.00 0.00 O ATOM 23 CB SER A 3 25.217 -10.587 3.144 1.00 0.00 C ATOM 24 OG SER A 3 24.250 -10.098 2.231 1.00 0.00 O ATOM 0 H SER A 3 23.032 -9.760 4.585 1.00 0.00 H new ATOM 0 HA SER A 3 25.902 -10.233 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.215 -10.459 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.070 -11.656 3.297 1.00 0.00 H new ATOM 0 HG SER A 3 24.330 -10.579 1.381 1.00 0.00 H new ATOM 30 N GLY A 4 26.588 -7.923 4.460 1.00 0.00 N ATOM 31 CA GLY A 4 26.910 -6.518 4.291 1.00 0.00 C ATOM 32 C GLY A 4 26.079 -5.621 5.187 1.00 0.00 C ATOM 33 O GLY A 4 24.930 -5.311 4.872 1.00 0.00 O ATOM 0 H GLY A 4 27.377 -8.515 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.967 -6.362 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.751 -6.235 3.251 1.00 0.00 H new ATOM 37 N SER A 5 26.660 -5.204 6.307 1.00 0.00 N ATOM 38 CA SER A 5 25.964 -4.342 7.255 1.00 0.00 C ATOM 39 C SER A 5 26.071 -2.878 6.837 1.00 0.00 C ATOM 40 O SER A 5 26.442 -2.019 7.637 1.00 0.00 O ATOM 41 CB SER A 5 26.536 -4.526 8.661 1.00 0.00 C ATOM 42 OG SER A 5 25.618 -4.088 9.647 1.00 0.00 O ATOM 0 H SER A 5 27.612 -5.449 6.580 1.00 0.00 H new ATOM 0 HA SER A 5 24.911 -4.625 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.776 -5.577 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.468 -3.968 8.754 1.00 0.00 H new ATOM 0 HG SER A 5 26.007 -4.218 10.537 1.00 0.00 H new ATOM 48 N SER A 6 25.744 -2.603 5.579 1.00 0.00 N ATOM 49 CA SER A 6 25.807 -1.244 5.052 1.00 0.00 C ATOM 50 C SER A 6 24.418 -0.748 4.662 1.00 0.00 C ATOM 51 O SER A 6 24.028 -0.814 3.497 1.00 0.00 O ATOM 52 CB SER A 6 26.741 -1.186 3.842 1.00 0.00 C ATOM 53 OG SER A 6 27.170 0.141 3.592 1.00 0.00 O ATOM 0 H SER A 6 25.433 -3.303 4.905 1.00 0.00 H new ATOM 0 HA SER A 6 26.199 -0.595 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.607 -1.825 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.228 -1.577 2.964 1.00 0.00 H new ATOM 0 HG SER A 6 27.767 0.151 2.815 1.00 0.00 H new ATOM 59 N GLY A 7 23.676 -0.250 5.647 1.00 0.00 N ATOM 60 CA GLY A 7 22.339 0.250 5.387 1.00 0.00 C ATOM 61 C GLY A 7 21.262 -0.739 5.785 1.00 0.00 C ATOM 62 O GLY A 7 21.558 -1.802 6.333 1.00 0.00 O ATOM 0 H GLY A 7 23.977 -0.184 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.191 1.182 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.241 0.482 4.326 1.00 0.00 H new ATOM 66 N ILE A 8 20.009 -0.391 5.512 1.00 0.00 N ATOM 67 CA ILE A 8 18.885 -1.256 5.846 1.00 0.00 C ATOM 68 C ILE A 8 18.328 -1.939 4.601 1.00 0.00 C ATOM 69 O ILE A 8 18.171 -1.326 3.545 1.00 0.00 O ATOM 70 CB ILE A 8 17.755 -0.470 6.537 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.942 -0.494 8.055 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.400 -1.047 6.155 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.645 -0.379 8.825 1.00 0.00 C ATOM 0 H ILE A 8 19.747 0.485 5.060 1.00 0.00 H new ATOM 0 HA ILE A 8 19.262 -2.013 6.534 1.00 0.00 H new ATOM 0 HB ILE A 8 17.795 0.566 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.442 -1.421 8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.601 0.324 8.345 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.611 -0.482 6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.269 -0.983 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.348 -2.091 6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.854 -0.403 9.895 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.154 0.561 8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.992 -1.212 8.564 1.00 0.00 H new ATOM 85 N PRO A 9 18.020 -3.238 4.727 1.00 0.00 N ATOM 86 CA PRO A 9 17.473 -4.032 3.623 1.00 0.00 C ATOM 87 C PRO A 9 15.983 -3.783 3.413 1.00 0.00 C ATOM 88 O PRO A 9 15.251 -3.496 4.360 1.00 0.00 O ATOM 89 CB PRO A 9 17.716 -5.476 4.070 1.00 0.00 C ATOM 90 CG PRO A 9 17.722 -5.416 5.558 1.00 0.00 C ATOM 91 CD PRO A 9 18.182 -4.032 5.957 1.00 0.00 C ATOM 0 HA PRO A 9 17.940 -3.782 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 9 16.934 -6.141 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.663 -5.856 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.727 -5.618 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.388 -6.174 5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.582 -3.631 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.218 -4.037 6.296 1.00 0.00 H new ATOM 99 N THR A 10 15.539 -3.896 2.164 1.00 0.00 N ATOM 100 CA THR A 10 14.137 -3.683 1.830 1.00 0.00 C ATOM 101 C THR A 10 13.664 -4.681 0.779 1.00 0.00 C ATOM 102 O THR A 10 14.443 -5.504 0.296 1.00 0.00 O ATOM 103 CB THR A 10 13.895 -2.253 1.309 1.00 0.00 C ATOM 104 OG1 THR A 10 14.698 -2.012 0.148 1.00 0.00 O ATOM 105 CG2 THR A 10 14.221 -1.224 2.381 1.00 0.00 C ATOM 0 H THR A 10 16.131 -4.134 1.368 1.00 0.00 H new ATOM 0 HA THR A 10 13.568 -3.829 2.748 1.00 0.00 H new ATOM 0 HB THR A 10 12.841 -2.159 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.537 -1.102 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.043 -0.222 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.587 -1.392 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.267 -1.319 2.671 1.00 0.00 H new ATOM 113 N CYS A 11 12.385 -4.603 0.429 1.00 0.00 N ATOM 114 CA CYS A 11 11.809 -5.501 -0.565 1.00 0.00 C ATOM 115 C CYS A 11 10.630 -4.843 -1.274 1.00 0.00 C ATOM 116 O CYS A 11 10.242 -3.721 -0.946 1.00 0.00 O ATOM 117 CB CYS A 11 11.359 -6.805 0.095 1.00 0.00 C ATOM 118 SG CYS A 11 11.425 -8.246 -0.995 1.00 0.00 S ATOM 0 H CYS A 11 11.728 -3.927 0.819 1.00 0.00 H new ATOM 0 HA CYS A 11 12.577 -5.723 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.986 -6.993 0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.338 -6.683 0.457 1.00 0.00 H new ATOM 0 HG CYS A 11 10.537 -9.117 -0.617 1.00 0.00 H new ATOM 124 N LYS A 12 10.064 -5.546 -2.248 1.00 0.00 N ATOM 125 CA LYS A 12 8.929 -5.031 -3.005 1.00 0.00 C ATOM 126 C LYS A 12 7.625 -5.658 -2.524 1.00 0.00 C ATOM 127 O LYS A 12 7.558 -6.862 -2.275 1.00 0.00 O ATOM 128 CB LYS A 12 9.119 -5.307 -4.499 1.00 0.00 C ATOM 129 CG LYS A 12 7.887 -5.006 -5.334 1.00 0.00 C ATOM 130 CD LYS A 12 8.230 -4.877 -6.809 1.00 0.00 C ATOM 131 CE LYS A 12 8.036 -6.195 -7.543 1.00 0.00 C ATOM 132 NZ LYS A 12 7.950 -6.000 -9.017 1.00 0.00 N ATOM 0 H LYS A 12 10.373 -6.476 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 12 8.875 -3.954 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.952 -4.709 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.393 -6.353 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.152 -5.799 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.427 -4.082 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.603 -4.110 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.264 -4.548 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.865 -6.865 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.127 -6.679 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.818 -6.921 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.144 -5.381 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.828 -5.561 -9.361 1.00 0.00 H new ATOM 146 N ILE A 13 6.590 -4.834 -2.396 1.00 0.00 N ATOM 147 CA ILE A 13 5.287 -5.309 -1.947 1.00 0.00 C ATOM 148 C ILE A 13 4.217 -5.059 -3.004 1.00 0.00 C ATOM 149 O ILE A 13 3.362 -4.187 -2.845 1.00 0.00 O ATOM 150 CB ILE A 13 4.863 -4.629 -0.632 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.905 -4.884 0.459 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.495 -5.131 -0.193 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.055 -6.345 0.821 1.00 0.00 C ATOM 0 H ILE A 13 6.629 -3.835 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 13 5.383 -6.381 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 13 4.797 -3.554 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.869 -4.500 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.629 -4.323 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.209 -4.641 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.759 -4.903 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.536 -6.209 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.810 -6.451 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.102 -6.730 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.361 -6.909 -0.060 1.00 0.00 H new ATOM 165 N THR A 14 4.268 -5.831 -4.085 1.00 0.00 N ATOM 166 CA THR A 14 3.303 -5.695 -5.169 1.00 0.00 C ATOM 167 C THR A 14 2.103 -6.611 -4.955 1.00 0.00 C ATOM 168 O THR A 14 2.221 -7.834 -5.035 1.00 0.00 O ATOM 169 CB THR A 14 3.942 -6.014 -6.533 1.00 0.00 C ATOM 170 OG1 THR A 14 5.292 -5.537 -6.566 1.00 0.00 O ATOM 171 CG2 THR A 14 3.147 -5.378 -7.664 1.00 0.00 C ATOM 0 H THR A 14 4.968 -6.558 -4.233 1.00 0.00 H new ATOM 0 HA THR A 14 2.969 -4.657 -5.167 1.00 0.00 H new ATOM 0 HB THR A 14 3.936 -7.096 -6.668 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.481 -5.150 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.617 -5.617 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.128 -5.765 -7.655 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.126 -4.296 -7.531 1.00 0.00 H new ATOM 179 N LEU A 15 0.949 -6.012 -4.684 1.00 0.00 N ATOM 180 CA LEU A 15 -0.274 -6.775 -4.459 1.00 0.00 C ATOM 181 C LEU A 15 -1.347 -6.395 -5.475 1.00 0.00 C ATOM 182 O LEU A 15 -1.668 -5.218 -5.644 1.00 0.00 O ATOM 183 CB LEU A 15 -0.793 -6.539 -3.040 1.00 0.00 C ATOM 184 CG LEU A 15 0.239 -6.665 -1.918 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.167 -5.819 -0.722 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.409 -8.121 -1.511 1.00 0.00 C ATOM 0 H LEU A 15 0.834 -5.001 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.041 -7.833 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.229 -5.541 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.599 -7.247 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 15 1.196 -6.298 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.579 -5.921 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.236 -4.774 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.135 -6.155 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.147 -8.192 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.545 -8.514 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.747 -8.702 -2.369 1.00 0.00 H new ATOM 198 N LYS A 16 -1.900 -7.398 -6.147 1.00 0.00 N ATOM 199 CA LYS A 16 -2.940 -7.171 -7.144 1.00 0.00 C ATOM 200 C LYS A 16 -4.242 -7.853 -6.736 1.00 0.00 C ATOM 201 O LYS A 16 -4.372 -9.073 -6.836 1.00 0.00 O ATOM 202 CB LYS A 16 -2.487 -7.689 -8.511 1.00 0.00 C ATOM 203 CG LYS A 16 -1.610 -6.709 -9.272 1.00 0.00 C ATOM 204 CD LYS A 16 -1.189 -7.269 -10.620 1.00 0.00 C ATOM 205 CE LYS A 16 0.117 -8.042 -10.520 1.00 0.00 C ATOM 206 NZ LYS A 16 1.294 -7.133 -10.445 1.00 0.00 N ATOM 0 H LYS A 16 -1.645 -8.377 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.117 -6.098 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.941 -8.622 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.366 -7.920 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.150 -5.774 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.724 -6.477 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.972 -7.923 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.076 -6.454 -11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.094 -8.681 -9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.219 -8.697 -11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.927 -7.317 -11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.972 -6.145 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.807 -7.301 -9.556 1.00 0.00 H new ATOM 220 N GLU A 17 -5.204 -7.057 -6.279 1.00 0.00 N ATOM 221 CA GLU A 17 -6.496 -7.586 -5.857 1.00 0.00 C ATOM 222 C GLU A 17 -7.628 -6.971 -6.676 1.00 0.00 C ATOM 223 O GLU A 17 -7.519 -5.845 -7.161 1.00 0.00 O ATOM 224 CB GLU A 17 -6.722 -7.314 -4.369 1.00 0.00 C ATOM 225 CG GLU A 17 -8.053 -7.833 -3.851 1.00 0.00 C ATOM 226 CD GLU A 17 -8.220 -9.325 -4.065 1.00 0.00 C ATOM 227 OE1 GLU A 17 -7.309 -10.087 -3.681 1.00 0.00 O ATOM 228 OE2 GLU A 17 -9.264 -9.731 -4.618 1.00 0.00 O ATOM 0 H GLU A 17 -5.113 -6.045 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.492 -8.663 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.915 -7.773 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.667 -6.240 -4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.136 -7.611 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.864 -7.305 -4.352 1.00 0.00 H new ATOM 235 N THR A 18 -8.716 -7.721 -6.826 1.00 0.00 N ATOM 236 CA THR A 18 -9.868 -7.252 -7.586 1.00 0.00 C ATOM 237 C THR A 18 -10.997 -6.814 -6.660 1.00 0.00 C ATOM 238 O THR A 18 -11.352 -7.524 -5.719 1.00 0.00 O ATOM 239 CB THR A 18 -10.394 -8.343 -8.538 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.298 -8.991 -9.194 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.333 -7.748 -9.577 1.00 0.00 C ATOM 0 H THR A 18 -8.823 -8.655 -6.431 1.00 0.00 H new ATOM 0 HA THR A 18 -9.532 -6.398 -8.174 1.00 0.00 H new ATOM 0 HB THR A 18 -10.947 -9.074 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.641 -9.684 -9.796 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.692 -8.537 -10.238 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.181 -7.281 -9.076 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.800 -6.999 -10.163 1.00 0.00 H new ATOM 249 N PHE A 19 -11.558 -5.641 -6.933 1.00 0.00 N ATOM 250 CA PHE A 19 -12.647 -5.107 -6.123 1.00 0.00 C ATOM 251 C PHE A 19 -13.971 -5.178 -6.879 1.00 0.00 C ATOM 252 O PHE A 19 -14.022 -4.946 -8.088 1.00 0.00 O ATOM 253 CB PHE A 19 -12.352 -3.661 -5.722 1.00 0.00 C ATOM 254 CG PHE A 19 -11.232 -3.530 -4.730 1.00 0.00 C ATOM 255 CD1 PHE A 19 -9.920 -3.415 -5.158 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.493 -3.522 -3.369 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.887 -3.296 -4.247 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.464 -3.402 -2.453 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.160 -3.288 -2.893 1.00 0.00 C ATOM 0 H PHE A 19 -11.277 -5.042 -7.709 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.729 -5.716 -5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.104 -3.088 -6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.254 -3.218 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.701 -3.418 -6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.511 -3.610 -3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.868 -3.209 -4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.680 -3.397 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.355 -3.193 -2.180 1.00 0.00 H new ATOM 269 N LEU A 20 -15.040 -5.500 -6.159 1.00 0.00 N ATOM 270 CA LEU A 20 -16.365 -5.601 -6.760 1.00 0.00 C ATOM 271 C LEU A 20 -17.009 -4.225 -6.894 1.00 0.00 C ATOM 272 O LEU A 20 -18.213 -4.068 -6.685 1.00 0.00 O ATOM 273 CB LEU A 20 -17.259 -6.516 -5.920 1.00 0.00 C ATOM 274 CG LEU A 20 -17.027 -8.018 -6.085 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.456 -8.475 -7.471 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.565 -8.362 -5.837 1.00 0.00 C ATOM 0 H LEU A 20 -15.015 -5.696 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.253 -6.028 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.121 -6.261 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.299 -6.300 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.634 -8.543 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.284 -9.547 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.516 -8.263 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.876 -7.943 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.418 -9.435 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.939 -7.827 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.290 -8.071 -4.823 1.00 0.00 H new ATOM 288 N THR A 21 -16.201 -3.231 -7.247 1.00 0.00 N ATOM 289 CA THR A 21 -16.691 -1.868 -7.410 1.00 0.00 C ATOM 290 C THR A 21 -15.998 -1.171 -8.575 1.00 0.00 C ATOM 291 O THR A 21 -15.007 -1.669 -9.109 1.00 0.00 O ATOM 292 CB THR A 21 -16.481 -1.038 -6.130 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.160 0.218 -6.244 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.000 -0.798 -5.879 1.00 0.00 C ATOM 0 H THR A 21 -15.203 -3.344 -7.426 1.00 0.00 H new ATOM 0 HA THR A 21 -17.759 -1.938 -7.616 1.00 0.00 H new ATOM 0 HB THR A 21 -16.891 -1.597 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.104 0.102 -6.009 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.876 -0.210 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.491 -1.755 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.571 -0.257 -6.723 1.00 0.00 H new ATOM 302 N SER A 22 -16.525 -0.014 -8.964 1.00 0.00 N ATOM 303 CA SER A 22 -15.958 0.751 -10.069 1.00 0.00 C ATOM 304 C SER A 22 -14.763 1.576 -9.601 1.00 0.00 C ATOM 305 O SER A 22 -14.644 1.935 -8.429 1.00 0.00 O ATOM 306 CB SER A 22 -17.019 1.670 -10.678 1.00 0.00 C ATOM 307 OG SER A 22 -17.831 0.968 -11.604 1.00 0.00 O ATOM 0 H SER A 22 -17.343 0.414 -8.531 1.00 0.00 H new ATOM 0 HA SER A 22 -15.617 0.048 -10.829 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.642 2.087 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.535 2.509 -11.177 1.00 0.00 H new ATOM 0 HG SER A 22 -18.502 1.577 -11.978 1.00 0.00 H new ATOM 313 N PRO A 23 -13.855 1.884 -10.539 1.00 0.00 N ATOM 314 CA PRO A 23 -12.652 2.670 -10.248 1.00 0.00 C ATOM 315 C PRO A 23 -12.963 3.929 -9.446 1.00 0.00 C ATOM 316 O PRO A 23 -12.472 4.102 -8.330 1.00 0.00 O ATOM 317 CB PRO A 23 -12.124 3.038 -11.637 1.00 0.00 C ATOM 318 CG PRO A 23 -12.633 1.962 -12.533 1.00 0.00 C ATOM 319 CD PRO A 23 -13.932 1.489 -11.955 1.00 0.00 C ATOM 0 HA PRO A 23 -11.939 2.114 -9.640 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.484 4.018 -11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.035 3.080 -11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.776 2.339 -13.546 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.918 1.142 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.783 1.953 -12.453 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.048 0.411 -12.063 1.00 0.00 H new ATOM 327 N GLU A 24 -13.780 4.806 -10.021 1.00 0.00 N ATOM 328 CA GLU A 24 -14.155 6.049 -9.358 1.00 0.00 C ATOM 329 C GLU A 24 -14.545 5.795 -7.905 1.00 0.00 C ATOM 330 O GLU A 24 -14.249 6.600 -7.023 1.00 0.00 O ATOM 331 CB GLU A 24 -15.314 6.719 -10.099 1.00 0.00 C ATOM 332 CG GLU A 24 -16.681 6.196 -9.690 1.00 0.00 C ATOM 333 CD GLU A 24 -17.760 6.529 -10.702 1.00 0.00 C ATOM 334 OE1 GLU A 24 -18.208 7.694 -10.730 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.156 5.624 -11.467 1.00 0.00 O ATOM 0 H GLU A 24 -14.195 4.679 -10.944 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.291 6.713 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.277 7.793 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.183 6.571 -11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.629 5.115 -9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.953 6.618 -8.723 1.00 0.00 H new ATOM 342 N GLU A 25 -15.212 4.670 -7.665 1.00 0.00 N ATOM 343 CA GLU A 25 -15.643 4.310 -6.320 1.00 0.00 C ATOM 344 C GLU A 25 -14.444 4.120 -5.396 1.00 0.00 C ATOM 345 O GLU A 25 -14.225 4.906 -4.474 1.00 0.00 O ATOM 346 CB GLU A 25 -16.483 3.031 -6.354 1.00 0.00 C ATOM 347 CG GLU A 25 -17.447 2.905 -5.187 1.00 0.00 C ATOM 348 CD GLU A 25 -18.243 4.173 -4.948 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.608 4.841 -5.938 1.00 0.00 O ATOM 350 OE2 GLU A 25 -18.501 4.498 -3.769 1.00 0.00 O ATOM 0 H GLU A 25 -15.465 3.993 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.253 5.126 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.048 3.002 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.816 2.169 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.134 2.080 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.889 2.656 -4.285 1.00 0.00 H new ATOM 357 N LEU A 26 -13.671 3.070 -5.649 1.00 0.00 N ATOM 358 CA LEU A 26 -12.493 2.774 -4.841 1.00 0.00 C ATOM 359 C LEU A 26 -11.518 3.947 -4.849 1.00 0.00 C ATOM 360 O LEU A 26 -10.715 4.106 -3.930 1.00 0.00 O ATOM 361 CB LEU A 26 -11.797 1.514 -5.360 1.00 0.00 C ATOM 362 CG LEU A 26 -10.778 0.874 -4.417 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.480 0.216 -3.240 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.922 -0.139 -5.165 1.00 0.00 C ATOM 0 H LEU A 26 -13.839 2.409 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.820 2.604 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.560 0.772 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.293 1.760 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.125 1.657 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.739 -0.234 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.048 0.966 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.157 -0.556 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.202 -0.585 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.560 -0.920 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.390 0.361 -5.974 1.00 0.00 H new ATOM 376 N TYR A 27 -11.596 4.767 -5.892 1.00 0.00 N ATOM 377 CA TYR A 27 -10.721 5.926 -6.020 1.00 0.00 C ATOM 378 C TYR A 27 -10.920 6.890 -4.854 1.00 0.00 C ATOM 379 O TYR A 27 -10.103 7.783 -4.627 1.00 0.00 O ATOM 380 CB TYR A 27 -10.985 6.647 -7.343 1.00 0.00 C ATOM 381 CG TYR A 27 -10.036 7.794 -7.607 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.672 7.660 -7.375 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.502 9.011 -8.088 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.801 8.706 -7.614 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.638 10.061 -8.332 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.289 9.904 -8.093 1.00 0.00 C ATOM 387 OH TYR A 27 -7.426 10.948 -8.333 1.00 0.00 O ATOM 0 H TYR A 27 -12.256 4.650 -6.661 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.689 5.574 -6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.910 5.929 -8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.007 7.025 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.286 6.723 -7.002 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.558 9.139 -8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.744 8.586 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.017 11.000 -8.708 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.765 10.679 -9.005 1.00 0.00 H new ATOM 397 N ARG A 28 -12.010 6.702 -4.119 1.00 0.00 N ATOM 398 CA ARG A 28 -12.318 7.554 -2.977 1.00 0.00 C ATOM 399 C ARG A 28 -11.869 6.900 -1.673 1.00 0.00 C ATOM 400 O ARG A 28 -11.194 7.522 -0.854 1.00 0.00 O ATOM 401 CB ARG A 28 -13.818 7.849 -2.922 1.00 0.00 C ATOM 402 CG ARG A 28 -14.458 8.006 -4.292 1.00 0.00 C ATOM 403 CD ARG A 28 -15.916 7.576 -4.278 1.00 0.00 C ATOM 404 NE ARG A 28 -16.800 8.649 -3.832 1.00 0.00 N ATOM 405 CZ ARG A 28 -18.115 8.513 -3.702 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.695 7.354 -3.982 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.852 9.536 -3.290 1.00 0.00 N ATOM 0 H ARG A 28 -12.695 5.967 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.775 8.491 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.319 7.043 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.980 8.761 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.387 9.046 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.909 7.411 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.209 7.257 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.033 6.714 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.385 9.553 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.131 6.565 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.705 7.252 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.409 10.429 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.862 9.430 -3.191 1.00 0.00 H new ATOM 421 N VAL A 29 -12.251 5.640 -1.488 1.00 0.00 N ATOM 422 CA VAL A 29 -11.888 4.900 -0.285 1.00 0.00 C ATOM 423 C VAL A 29 -10.408 5.071 0.039 1.00 0.00 C ATOM 424 O VAL A 29 -9.981 4.855 1.174 1.00 0.00 O ATOM 425 CB VAL A 29 -12.200 3.399 -0.433 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.795 2.643 0.823 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.675 3.190 -0.740 1.00 0.00 C ATOM 0 H VAL A 29 -12.812 5.111 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.485 5.308 0.530 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.620 3.005 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.023 1.584 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.725 2.766 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.346 3.036 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.878 2.124 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.277 3.598 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.928 3.698 -1.671 1.00 0.00 H new ATOM 437 N PHE A 30 -9.629 5.460 -0.964 1.00 0.00 N ATOM 438 CA PHE A 30 -8.195 5.659 -0.787 1.00 0.00 C ATOM 439 C PHE A 30 -7.851 7.146 -0.770 1.00 0.00 C ATOM 440 O PHE A 30 -6.802 7.547 -0.265 1.00 0.00 O ATOM 441 CB PHE A 30 -7.419 4.957 -1.902 1.00 0.00 C ATOM 442 CG PHE A 30 -7.310 3.471 -1.713 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.331 2.630 -2.127 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.188 2.914 -1.121 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.234 1.262 -1.954 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.085 1.547 -0.947 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.110 0.720 -1.363 1.00 0.00 C ATOM 0 H PHE A 30 -9.966 5.644 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.909 5.226 0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.906 5.159 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.417 5.382 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.212 3.048 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.384 3.556 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.037 0.618 -2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.204 1.126 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.032 -0.349 -1.226 1.00 0.00 H new ATOM 457 N THR A 31 -8.742 7.960 -1.327 1.00 0.00 N ATOM 458 CA THR A 31 -8.533 9.401 -1.378 1.00 0.00 C ATOM 459 C THR A 31 -9.557 10.136 -0.520 1.00 0.00 C ATOM 460 O THR A 31 -9.756 11.342 -0.669 1.00 0.00 O ATOM 461 CB THR A 31 -8.617 9.930 -2.823 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.963 9.832 -3.303 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.688 9.149 -3.739 1.00 0.00 C ATOM 0 H THR A 31 -9.616 7.645 -1.749 1.00 0.00 H new ATOM 0 HA THR A 31 -7.533 9.589 -0.987 1.00 0.00 H new ATOM 0 HB THR A 31 -8.307 10.975 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.980 9.294 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.764 9.540 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.661 9.250 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.972 8.097 -3.733 1.00 0.00 H new ATOM 471 N THR A 32 -10.204 9.402 0.380 1.00 0.00 N ATOM 472 CA THR A 32 -11.207 9.984 1.262 1.00 0.00 C ATOM 473 C THR A 32 -10.985 9.553 2.707 1.00 0.00 C ATOM 474 O THR A 32 -11.205 8.394 3.059 1.00 0.00 O ATOM 475 CB THR A 32 -12.632 9.586 0.833 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.801 9.810 -0.572 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.672 10.381 1.607 1.00 0.00 C ATOM 0 H THR A 32 -10.051 8.403 0.517 1.00 0.00 H new ATOM 0 HA THR A 32 -11.102 11.066 1.188 1.00 0.00 H new ATOM 0 HB THR A 32 -12.771 8.527 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.623 10.321 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.670 10.083 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.559 10.186 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.533 11.445 1.416 1.00 0.00 H new ATOM 485 N GLN A 33 -10.550 10.493 3.540 1.00 0.00 N ATOM 486 CA GLN A 33 -10.298 10.208 4.948 1.00 0.00 C ATOM 487 C GLN A 33 -11.449 9.414 5.557 1.00 0.00 C ATOM 488 O GLN A 33 -11.268 8.277 5.990 1.00 0.00 O ATOM 489 CB GLN A 33 -10.095 11.511 5.725 1.00 0.00 C ATOM 490 CG GLN A 33 -10.022 11.316 7.231 1.00 0.00 C ATOM 491 CD GLN A 33 -9.686 12.596 7.969 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.524 13.654 7.360 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.580 12.507 9.290 1.00 0.00 N ATOM 0 H GLN A 33 -10.365 11.458 3.265 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.391 9.608 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.176 11.988 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.913 12.193 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.977 10.934 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.270 10.561 7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.722 11.610 9.754 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.356 13.336 9.841 1.00 0.00 H new ATOM 502 N GLU A 34 -12.631 10.021 5.585 1.00 0.00 N ATOM 503 CA GLU A 34 -13.811 9.369 6.142 1.00 0.00 C ATOM 504 C GLU A 34 -13.856 7.896 5.747 1.00 0.00 C ATOM 505 O GLU A 34 -13.792 7.010 6.601 1.00 0.00 O ATOM 506 CB GLU A 34 -15.083 10.075 5.668 1.00 0.00 C ATOM 507 CG GLU A 34 -16.362 9.393 6.121 1.00 0.00 C ATOM 508 CD GLU A 34 -16.855 9.908 7.460 1.00 0.00 C ATOM 509 OE1 GLU A 34 -16.796 11.136 7.681 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.299 9.084 8.286 1.00 0.00 O ATOM 0 H GLU A 34 -12.797 10.962 5.229 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.752 9.434 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.078 11.101 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.075 10.127 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.137 9.546 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.192 8.319 6.189 1.00 0.00 H new ATOM 517 N LEU A 35 -13.967 7.641 4.448 1.00 0.00 N ATOM 518 CA LEU A 35 -14.021 6.276 3.938 1.00 0.00 C ATOM 519 C LEU A 35 -12.914 5.422 4.548 1.00 0.00 C ATOM 520 O LEU A 35 -13.094 4.227 4.780 1.00 0.00 O ATOM 521 CB LEU A 35 -13.901 6.275 2.413 1.00 0.00 C ATOM 522 CG LEU A 35 -14.841 7.220 1.665 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.566 7.174 0.170 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.293 6.867 1.953 1.00 0.00 C ATOM 0 H LEU A 35 -14.021 8.362 3.729 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.982 5.847 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.875 6.532 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.078 5.261 2.055 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.658 8.236 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.245 7.853 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.536 7.477 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.720 6.159 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.948 7.550 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.490 5.844 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.483 6.953 3.023 1.00 0.00 H new ATOM 536 N VAL A 36 -11.769 6.045 4.807 1.00 0.00 N ATOM 537 CA VAL A 36 -10.633 5.344 5.393 1.00 0.00 C ATOM 538 C VAL A 36 -10.911 4.963 6.843 1.00 0.00 C ATOM 539 O VAL A 36 -10.597 3.854 7.275 1.00 0.00 O ATOM 540 CB VAL A 36 -9.354 6.200 5.335 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.140 5.374 5.735 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.172 6.791 3.945 1.00 0.00 C ATOM 0 H VAL A 36 -11.604 7.034 4.620 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.482 4.439 4.805 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.455 7.021 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.246 5.995 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.271 5.003 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.032 4.531 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.264 7.393 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.093 5.986 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.029 7.418 3.701 1.00 0.00 H new ATOM 552 N GLN A 37 -11.501 5.890 7.590 1.00 0.00 N ATOM 553 CA GLN A 37 -11.821 5.652 8.992 1.00 0.00 C ATOM 554 C GLN A 37 -12.967 4.654 9.127 1.00 0.00 C ATOM 555 O GLN A 37 -13.345 4.273 10.235 1.00 0.00 O ATOM 556 CB GLN A 37 -12.189 6.965 9.684 1.00 0.00 C ATOM 557 CG GLN A 37 -11.009 7.652 10.352 1.00 0.00 C ATOM 558 CD GLN A 37 -11.359 9.028 10.885 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.383 10.017 9.999 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.605 9.200 12.079 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.767 6.813 7.248 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.938 5.231 9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.626 7.643 8.950 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.956 6.769 10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.648 7.030 11.171 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.192 7.741 9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.575 8.411 12.725 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.839 10.132 12.422 1.00 0.00 H new ATOM 569 N ALA A 38 -13.517 4.235 7.992 1.00 0.00 N ATOM 570 CA ALA A 38 -14.619 3.281 7.983 1.00 0.00 C ATOM 571 C ALA A 38 -14.102 1.847 7.928 1.00 0.00 C ATOM 572 O ALA A 38 -14.492 1.005 8.738 1.00 0.00 O ATOM 573 CB ALA A 38 -15.546 3.555 6.808 1.00 0.00 C ATOM 0 H ALA A 38 -13.217 4.541 7.067 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.180 3.403 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.364 2.835 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.950 4.564 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.989 3.463 5.876 1.00 0.00 H new ATOM 579 N PHE A 39 -13.225 1.576 6.968 1.00 0.00 N ATOM 580 CA PHE A 39 -12.656 0.242 6.807 1.00 0.00 C ATOM 581 C PHE A 39 -11.464 0.043 7.738 1.00 0.00 C ATOM 582 O PHE A 39 -10.943 -1.065 7.871 1.00 0.00 O ATOM 583 CB PHE A 39 -12.226 0.021 5.355 1.00 0.00 C ATOM 584 CG PHE A 39 -10.933 0.700 5.003 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.727 0.211 5.478 1.00 0.00 C ATOM 586 CD2 PHE A 39 -10.925 1.827 4.196 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.536 0.835 5.155 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.737 2.454 3.871 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.541 1.957 4.350 1.00 0.00 C ATOM 0 H PHE A 39 -12.892 2.261 6.290 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.423 -0.487 7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.127 -1.049 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.011 0.386 4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.717 -0.667 6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.857 2.219 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.602 0.445 5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.744 3.332 3.243 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.612 2.445 4.096 1.00 0.00 H new ATOM 599 N THR A 40 -11.037 1.124 8.382 1.00 0.00 N ATOM 600 CA THR A 40 -9.906 1.069 9.300 1.00 0.00 C ATOM 601 C THR A 40 -10.375 1.063 10.751 1.00 0.00 C ATOM 602 O THR A 40 -9.663 0.598 11.642 1.00 0.00 O ATOM 603 CB THR A 40 -8.951 2.259 9.087 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.591 3.478 9.482 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.523 2.355 7.631 1.00 0.00 C ATOM 0 H THR A 40 -11.457 2.048 8.285 1.00 0.00 H new ATOM 0 HA THR A 40 -9.373 0.142 9.089 1.00 0.00 H new ATOM 0 HB THR A 40 -8.064 2.099 9.701 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.711 4.053 8.698 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.849 3.202 7.505 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.011 1.438 7.341 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.402 2.494 7.002 1.00 0.00 H new ATOM 613 N HIS A 41 -11.577 1.581 10.982 1.00 0.00 N ATOM 614 CA HIS A 41 -12.142 1.633 12.325 1.00 0.00 C ATOM 615 C HIS A 41 -11.126 2.185 13.321 1.00 0.00 C ATOM 616 O HIS A 41 -10.986 1.670 14.429 1.00 0.00 O ATOM 617 CB HIS A 41 -12.599 0.241 12.764 1.00 0.00 C ATOM 618 CG HIS A 41 -13.588 -0.386 11.830 1.00 0.00 C ATOM 619 ND1 HIS A 41 -14.929 -0.066 11.829 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.424 -1.319 10.863 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.548 -0.776 10.902 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.657 -1.544 10.302 1.00 0.00 N ATOM 0 H HIS A 41 -12.178 1.971 10.256 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.004 2.300 12.304 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.728 -0.409 12.848 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.042 0.309 13.757 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.496 -1.797 10.585 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.603 -0.735 10.674 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.853 -2.198 9.545 1.00 0.00 H new ATOM 631 N ALA A 42 -10.419 3.235 12.916 1.00 0.00 N ATOM 632 CA ALA A 42 -9.417 3.858 13.773 1.00 0.00 C ATOM 633 C ALA A 42 -9.122 5.285 13.326 1.00 0.00 C ATOM 634 O ALA A 42 -9.269 5.637 12.155 1.00 0.00 O ATOM 635 CB ALA A 42 -8.141 3.030 13.779 1.00 0.00 C ATOM 0 H ALA A 42 -10.521 3.672 12.000 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.816 3.899 14.787 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.401 3.506 14.423 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.358 2.030 14.154 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.748 2.960 12.765 1.00 0.00 H new ATOM 641 N PRO A 43 -8.697 6.129 14.278 1.00 0.00 N ATOM 642 CA PRO A 43 -8.373 7.532 14.005 1.00 0.00 C ATOM 643 C PRO A 43 -7.475 7.693 12.783 1.00 0.00 C ATOM 644 O PRO A 43 -6.251 7.622 12.888 1.00 0.00 O ATOM 645 CB PRO A 43 -7.639 7.979 15.271 1.00 0.00 C ATOM 646 CG PRO A 43 -8.152 7.082 16.344 1.00 0.00 C ATOM 647 CD PRO A 43 -8.500 5.777 15.694 1.00 0.00 C ATOM 0 HA PRO A 43 -9.263 8.120 13.782 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.559 7.883 15.157 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.843 9.025 15.498 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.399 6.938 17.119 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.027 7.518 16.826 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.702 5.044 15.816 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.401 5.343 16.127 1.00 0.00 H new ATOM 655 N ALA A 44 -8.091 7.910 11.626 1.00 0.00 N ATOM 656 CA ALA A 44 -7.347 8.083 10.385 1.00 0.00 C ATOM 657 C ALA A 44 -7.529 9.490 9.827 1.00 0.00 C ATOM 658 O ALA A 44 -8.623 10.053 9.877 1.00 0.00 O ATOM 659 CB ALA A 44 -7.782 7.047 9.359 1.00 0.00 C ATOM 0 H ALA A 44 -9.104 7.970 11.522 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.289 7.940 10.603 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.218 7.189 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.594 6.047 9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.846 7.162 9.154 1.00 0.00 H new ATOM 665 N THR A 45 -6.449 10.056 9.297 1.00 0.00 N ATOM 666 CA THR A 45 -6.489 11.399 8.732 1.00 0.00 C ATOM 667 C THR A 45 -5.933 11.415 7.313 1.00 0.00 C ATOM 668 O THR A 45 -4.718 11.431 7.111 1.00 0.00 O ATOM 669 CB THR A 45 -5.691 12.396 9.595 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.352 12.595 10.850 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.537 13.729 8.879 1.00 0.00 C ATOM 0 H THR A 45 -5.536 9.605 9.247 1.00 0.00 H new ATOM 0 HA THR A 45 -7.536 11.703 8.713 1.00 0.00 H new ATOM 0 HB THR A 45 -4.699 11.980 9.770 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.838 13.228 11.394 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.971 14.416 9.507 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.008 13.578 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.522 14.150 8.678 1.00 0.00 H new ATOM 679 N LEU A 46 -6.828 11.411 6.332 1.00 0.00 N ATOM 680 CA LEU A 46 -6.427 11.426 4.929 1.00 0.00 C ATOM 681 C LEU A 46 -6.704 12.787 4.298 1.00 0.00 C ATOM 682 O LEU A 46 -7.737 13.403 4.558 1.00 0.00 O ATOM 683 CB LEU A 46 -7.165 10.333 4.156 1.00 0.00 C ATOM 684 CG LEU A 46 -6.482 9.835 2.881 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.752 8.352 2.676 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.952 10.636 1.676 1.00 0.00 C ATOM 0 H LEU A 46 -7.837 11.397 6.482 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.355 11.235 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.313 9.482 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.154 10.707 3.892 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.407 9.977 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.259 8.015 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.365 7.791 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.826 8.186 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.456 10.268 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.031 10.527 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.707 11.688 1.820 1.00 0.00 H new ATOM 698 N GLU A 47 -5.775 13.249 3.467 1.00 0.00 N ATOM 699 CA GLU A 47 -5.921 14.536 2.798 1.00 0.00 C ATOM 700 C GLU A 47 -5.643 14.407 1.303 1.00 0.00 C ATOM 701 O GLU A 47 -4.492 14.444 0.869 1.00 0.00 O ATOM 702 CB GLU A 47 -4.974 15.567 3.416 1.00 0.00 C ATOM 703 CG GLU A 47 -5.281 15.880 4.871 1.00 0.00 C ATOM 704 CD GLU A 47 -6.365 16.930 5.026 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.243 17.012 4.141 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.335 17.669 6.032 1.00 0.00 O ATOM 0 H GLU A 47 -4.914 12.751 3.241 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.950 14.871 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.951 15.199 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.025 16.489 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.591 14.966 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.372 16.226 5.364 1.00 0.00 H new ATOM 713 N ALA A 48 -6.707 14.254 0.521 1.00 0.00 N ATOM 714 CA ALA A 48 -6.579 14.120 -0.925 1.00 0.00 C ATOM 715 C ALA A 48 -5.950 15.366 -1.537 1.00 0.00 C ATOM 716 O ALA A 48 -6.638 16.349 -1.814 1.00 0.00 O ATOM 717 CB ALA A 48 -7.939 13.850 -1.552 1.00 0.00 C ATOM 0 H ALA A 48 -7.667 14.220 0.865 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.922 13.275 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.829 13.752 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.351 12.927 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.613 14.677 -1.330 1.00 0.00 H new ATOM 723 N ASP A 49 -4.639 15.320 -1.746 1.00 0.00 N ATOM 724 CA ASP A 49 -3.916 16.446 -2.327 1.00 0.00 C ATOM 725 C ASP A 49 -2.454 16.085 -2.571 1.00 0.00 C ATOM 726 O ASP A 49 -1.858 15.320 -1.813 1.00 0.00 O ATOM 727 CB ASP A 49 -4.007 17.666 -1.409 1.00 0.00 C ATOM 728 CG ASP A 49 -5.208 18.537 -1.721 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.484 18.760 -2.918 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.872 18.996 -0.768 1.00 0.00 O ATOM 0 H ASP A 49 -4.055 14.515 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.377 16.687 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.062 17.334 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.097 18.258 -1.506 1.00 0.00 H new ATOM 735 N ARG A 50 -1.883 16.641 -3.635 1.00 0.00 N ATOM 736 CA ARG A 50 -0.492 16.376 -3.981 1.00 0.00 C ATOM 737 C ARG A 50 0.440 16.804 -2.851 1.00 0.00 C ATOM 738 O ARG A 50 0.778 17.980 -2.723 1.00 0.00 O ATOM 739 CB ARG A 50 -0.116 17.108 -5.271 1.00 0.00 C ATOM 740 CG ARG A 50 -0.627 16.426 -6.529 1.00 0.00 C ATOM 741 CD ARG A 50 0.106 16.919 -7.767 1.00 0.00 C ATOM 742 NE ARG A 50 -0.508 18.121 -8.324 1.00 0.00 N ATOM 743 CZ ARG A 50 -0.264 19.347 -7.875 1.00 0.00 C ATOM 744 NH1 ARG A 50 0.577 19.533 -6.867 1.00 0.00 N ATOM 745 NH2 ARG A 50 -0.862 20.391 -8.435 1.00 0.00 N ATOM 0 H ARG A 50 -2.362 17.277 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.380 15.303 -4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.512 18.123 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.969 17.191 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.501 15.347 -6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.695 16.614 -6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.146 17.127 -7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.113 16.132 -8.522 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.160 18.013 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.039 18.733 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.762 20.476 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.510 20.252 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.674 21.332 -8.090 1.00 0.00 H new ATOM 759 N GLY A 51 0.851 15.840 -2.032 1.00 0.00 N ATOM 760 CA GLY A 51 1.739 16.136 -0.924 1.00 0.00 C ATOM 761 C GLY A 51 1.048 16.016 0.420 1.00 0.00 C ATOM 762 O GLY A 51 1.684 16.140 1.466 1.00 0.00 O ATOM 0 H GLY A 51 0.584 14.859 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.591 15.456 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.133 17.146 -1.038 1.00 0.00 H new ATOM 766 N GLY A 52 -0.259 15.774 0.393 1.00 0.00 N ATOM 767 CA GLY A 52 -1.015 15.643 1.625 1.00 0.00 C ATOM 768 C GLY A 52 -0.515 14.506 2.494 1.00 0.00 C ATOM 769 O GLY A 52 0.373 13.753 2.094 1.00 0.00 O ATOM 0 H GLY A 52 -0.808 15.666 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.957 16.577 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.066 15.479 1.387 1.00 0.00 H new ATOM 773 N LYS A 53 -1.084 14.382 3.688 1.00 0.00 N ATOM 774 CA LYS A 53 -0.691 13.330 4.618 1.00 0.00 C ATOM 775 C LYS A 53 -1.866 12.406 4.923 1.00 0.00 C ATOM 776 O LYS A 53 -2.977 12.866 5.188 1.00 0.00 O ATOM 777 CB LYS A 53 -0.158 13.940 5.916 1.00 0.00 C ATOM 778 CG LYS A 53 1.326 14.259 5.874 1.00 0.00 C ATOM 779 CD LYS A 53 1.669 15.167 4.705 1.00 0.00 C ATOM 780 CE LYS A 53 2.944 15.954 4.966 1.00 0.00 C ATOM 781 NZ LYS A 53 3.513 16.519 3.711 1.00 0.00 N ATOM 0 H LYS A 53 -1.820 14.998 4.035 1.00 0.00 H new ATOM 0 HA LYS A 53 0.098 12.742 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.711 14.854 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.349 13.250 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.622 14.738 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.896 13.333 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.788 14.569 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.845 15.857 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.735 16.763 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.681 15.305 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.412 16.044 3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.844 16.371 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.681 17.538 3.834 1.00 0.00 H new ATOM 795 N PHE A 54 -1.614 11.102 4.884 1.00 0.00 N ATOM 796 CA PHE A 54 -2.651 10.114 5.157 1.00 0.00 C ATOM 797 C PHE A 54 -2.251 9.212 6.320 1.00 0.00 C ATOM 798 O PHE A 54 -1.259 8.486 6.245 1.00 0.00 O ATOM 799 CB PHE A 54 -2.920 9.269 3.910 1.00 0.00 C ATOM 800 CG PHE A 54 -1.880 8.213 3.666 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.979 6.971 4.273 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.803 8.463 2.831 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.023 5.997 4.050 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.155 7.493 2.604 1.00 0.00 C ATOM 805 CZ PHE A 54 0.045 6.259 3.215 1.00 0.00 C ATOM 0 H PHE A 54 -0.700 10.705 4.666 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.562 10.646 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.895 8.792 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.972 9.925 3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.812 6.761 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.711 9.427 2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.112 5.033 4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.989 7.700 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.793 5.500 3.040 1.00 0.00 H new ATOM 815 N HIS A 55 -3.029 9.264 7.397 1.00 0.00 N ATOM 816 CA HIS A 55 -2.756 8.452 8.577 1.00 0.00 C ATOM 817 C HIS A 55 -3.906 7.487 8.850 1.00 0.00 C ATOM 818 O HIS A 55 -5.075 7.859 8.762 1.00 0.00 O ATOM 819 CB HIS A 55 -2.526 9.347 9.796 1.00 0.00 C ATOM 820 CG HIS A 55 -1.481 8.826 10.733 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.973 7.546 10.657 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.846 9.420 11.770 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.072 7.375 11.609 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.024 8.498 12.298 1.00 0.00 N ATOM 0 H HIS A 55 -3.853 9.860 7.476 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.854 7.871 8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.235 10.341 9.457 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.465 9.457 10.338 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.249 6.841 9.973 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.996 10.431 12.118 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.490 6.471 11.792 1.00 0.00 H new ATOM 833 N MET A 56 -3.564 6.246 9.180 1.00 0.00 N ATOM 834 CA MET A 56 -4.568 5.227 9.466 1.00 0.00 C ATOM 835 C MET A 56 -4.076 4.266 10.543 1.00 0.00 C ATOM 836 O MET A 56 -2.945 4.376 11.018 1.00 0.00 O ATOM 837 CB MET A 56 -4.914 4.451 8.194 1.00 0.00 C ATOM 838 CG MET A 56 -3.788 4.423 7.173 1.00 0.00 C ATOM 839 SD MET A 56 -3.730 2.878 6.245 1.00 0.00 S ATOM 840 CE MET A 56 -5.362 2.865 5.507 1.00 0.00 C ATOM 0 H MET A 56 -2.600 5.922 9.256 1.00 0.00 H new ATOM 0 HA MET A 56 -5.464 5.728 9.833 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.175 3.427 8.463 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.798 4.896 7.736 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.911 5.255 6.479 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.836 4.572 7.683 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.315 2.386 4.529 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.047 2.312 6.149 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.718 3.889 5.393 1.00 0.00 H new ATOM 850 N VAL A 57 -4.932 3.324 10.926 1.00 0.00 N ATOM 851 CA VAL A 57 -4.584 2.343 11.947 1.00 0.00 C ATOM 852 C VAL A 57 -4.303 3.019 13.285 1.00 0.00 C ATOM 853 O VAL A 57 -3.309 2.718 13.946 1.00 0.00 O ATOM 854 CB VAL A 57 -3.353 1.515 11.533 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.174 0.324 12.462 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.480 1.060 10.087 1.00 0.00 C ATOM 0 H VAL A 57 -5.872 3.220 10.544 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.441 1.678 12.053 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.468 2.145 11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.300 -0.249 12.154 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.035 0.677 13.484 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.059 -0.311 12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.602 0.476 9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.374 0.446 9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.556 1.931 9.437 1.00 0.00 H new ATOM 866 N ASP A 58 -5.184 3.932 13.677 1.00 0.00 N ATOM 867 CA ASP A 58 -5.031 4.650 14.937 1.00 0.00 C ATOM 868 C ASP A 58 -3.742 5.466 14.945 1.00 0.00 C ATOM 869 O ASP A 58 -3.157 5.711 15.999 1.00 0.00 O ATOM 870 CB ASP A 58 -5.036 3.670 16.111 1.00 0.00 C ATOM 871 CG ASP A 58 -5.597 4.286 17.378 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.267 5.457 17.664 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.365 3.599 18.082 1.00 0.00 O ATOM 0 H ASP A 58 -6.012 4.193 13.141 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.873 5.334 15.041 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.626 2.793 15.845 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.019 3.326 16.297 1.00 0.00 H new ATOM 878 N GLY A 59 -3.304 5.883 13.761 1.00 0.00 N ATOM 879 CA GLY A 59 -2.087 6.666 13.654 1.00 0.00 C ATOM 880 C GLY A 59 -0.840 5.803 13.665 1.00 0.00 C ATOM 881 O GLY A 59 0.214 6.231 14.134 1.00 0.00 O ATOM 0 H GLY A 59 -3.770 5.692 12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.113 7.249 12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.041 7.376 14.480 1.00 0.00 H new ATOM 885 N ASN A 60 -0.961 4.585 13.148 1.00 0.00 N ATOM 886 CA ASN A 60 0.164 3.659 13.103 1.00 0.00 C ATOM 887 C ASN A 60 0.782 3.621 11.708 1.00 0.00 C ATOM 888 O ASN A 60 1.920 3.186 11.533 1.00 0.00 O ATOM 889 CB ASN A 60 -0.286 2.255 13.511 1.00 0.00 C ATOM 890 CG ASN A 60 -0.157 2.017 15.003 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.901 1.617 15.490 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.235 2.264 15.737 1.00 0.00 N ATOM 0 H ASN A 60 -1.827 4.216 12.754 1.00 0.00 H new ATOM 0 HA ASN A 60 0.919 4.010 13.807 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.323 2.107 13.211 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.309 1.516 12.975 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.208 2.123 16.747 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.091 2.594 15.291 1.00 0.00 H new ATOM 899 N VAL A 61 0.023 4.082 10.718 1.00 0.00 N ATOM 900 CA VAL A 61 0.496 4.103 9.339 1.00 0.00 C ATOM 901 C VAL A 61 0.284 5.474 8.707 1.00 0.00 C ATOM 902 O VAL A 61 -0.849 5.925 8.542 1.00 0.00 O ATOM 903 CB VAL A 61 -0.220 3.040 8.485 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.223 3.136 7.032 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.041 1.648 9.039 1.00 0.00 C ATOM 0 H VAL A 61 -0.921 4.446 10.846 1.00 0.00 H new ATOM 0 HA VAL A 61 1.562 3.879 9.366 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.293 3.227 8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.293 2.377 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.019 4.125 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.299 2.975 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.472 0.909 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.112 1.447 9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.330 1.588 10.062 1.00 0.00 H new ATOM 915 N SER A 62 1.384 6.133 8.354 1.00 0.00 N ATOM 916 CA SER A 62 1.319 7.455 7.743 1.00 0.00 C ATOM 917 C SER A 62 2.026 7.463 6.390 1.00 0.00 C ATOM 918 O SER A 62 2.627 6.469 5.986 1.00 0.00 O ATOM 919 CB SER A 62 1.950 8.499 8.666 1.00 0.00 C ATOM 920 OG SER A 62 3.326 8.232 8.873 1.00 0.00 O ATOM 0 H SER A 62 2.330 5.773 8.481 1.00 0.00 H new ATOM 0 HA SER A 62 0.269 7.705 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.830 9.492 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.429 8.504 9.624 1.00 0.00 H new ATOM 0 HG SER A 62 3.706 8.914 9.465 1.00 0.00 H new ATOM 926 N GLY A 63 1.948 8.594 5.695 1.00 0.00 N ATOM 927 CA GLY A 63 2.584 8.711 4.396 1.00 0.00 C ATOM 928 C GLY A 63 2.401 10.086 3.784 1.00 0.00 C ATOM 929 O GLY A 63 2.053 11.040 4.478 1.00 0.00 O ATOM 0 H GLY A 63 1.456 9.431 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.649 8.499 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.171 7.959 3.723 1.00 0.00 H new ATOM 933 N GLU A 64 2.639 10.187 2.479 1.00 0.00 N ATOM 934 CA GLU A 64 2.500 11.456 1.775 1.00 0.00 C ATOM 935 C GLU A 64 2.167 11.228 0.303 1.00 0.00 C ATOM 936 O GLU A 64 2.748 10.360 -0.349 1.00 0.00 O ATOM 937 CB GLU A 64 3.787 12.275 1.897 1.00 0.00 C ATOM 938 CG GLU A 64 4.781 12.019 0.776 1.00 0.00 C ATOM 939 CD GLU A 64 5.983 12.940 0.840 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.375 13.326 1.962 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.532 13.276 -0.230 1.00 0.00 O ATOM 0 H GLU A 64 2.928 9.406 1.890 1.00 0.00 H new ATOM 0 HA GLU A 64 1.680 12.009 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.533 13.335 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.262 12.049 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.118 10.984 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.281 12.147 -0.184 1.00 0.00 H new ATOM 948 N PHE A 65 1.228 12.013 -0.213 1.00 0.00 N ATOM 949 CA PHE A 65 0.815 11.897 -1.607 1.00 0.00 C ATOM 950 C PHE A 65 1.815 12.589 -2.530 1.00 0.00 C ATOM 951 O PHE A 65 2.123 13.769 -2.358 1.00 0.00 O ATOM 952 CB PHE A 65 -0.577 12.501 -1.801 1.00 0.00 C ATOM 953 CG PHE A 65 -1.689 11.608 -1.328 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.523 10.807 -0.209 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.899 11.570 -2.002 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.544 9.985 0.229 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.923 10.750 -1.568 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.745 9.956 -0.452 1.00 0.00 C ATOM 0 H PHE A 65 0.738 12.737 0.313 1.00 0.00 H new ATOM 0 HA PHE A 65 0.783 10.838 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.631 13.449 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.724 12.722 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.585 10.825 0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.043 12.188 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.403 9.366 1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.862 10.730 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.544 9.313 -0.112 1.00 0.00 H new ATOM 968 N THR A 66 2.320 11.845 -3.509 1.00 0.00 N ATOM 969 CA THR A 66 3.285 12.384 -4.458 1.00 0.00 C ATOM 970 C THR A 66 2.652 12.591 -5.829 1.00 0.00 C ATOM 971 O THR A 66 3.006 13.522 -6.553 1.00 0.00 O ATOM 972 CB THR A 66 4.507 11.458 -4.604 1.00 0.00 C ATOM 973 OG1 THR A 66 4.081 10.134 -4.943 1.00 0.00 O ATOM 974 CG2 THR A 66 5.315 11.421 -3.315 1.00 0.00 C ATOM 0 H THR A 66 2.076 10.867 -3.665 1.00 0.00 H new ATOM 0 HA THR A 66 3.612 13.346 -4.063 1.00 0.00 H new ATOM 0 HB THR A 66 5.139 11.851 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.102 10.099 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.173 10.761 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.663 12.426 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.689 11.050 -2.504 1.00 0.00 H new ATOM 982 N ASP A 67 1.715 11.718 -6.181 1.00 0.00 N ATOM 983 CA ASP A 67 1.030 11.806 -7.465 1.00 0.00 C ATOM 984 C ASP A 67 -0.437 11.412 -7.328 1.00 0.00 C ATOM 985 O ASP A 67 -0.778 10.503 -6.570 1.00 0.00 O ATOM 986 CB ASP A 67 1.718 10.909 -8.496 1.00 0.00 C ATOM 987 CG ASP A 67 1.586 11.443 -9.908 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.551 11.169 -10.552 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.517 12.135 -10.371 1.00 0.00 O ATOM 0 H ASP A 67 1.412 10.940 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 67 1.078 12.841 -7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.774 10.815 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.288 9.909 -8.447 1.00 0.00 H new ATOM 994 N LEU A 68 -1.301 12.102 -8.064 1.00 0.00 N ATOM 995 CA LEU A 68 -2.733 11.825 -8.024 1.00 0.00 C ATOM 996 C LEU A 68 -3.362 12.012 -9.400 1.00 0.00 C ATOM 997 O LEU A 68 -3.525 13.137 -9.873 1.00 0.00 O ATOM 998 CB LEU A 68 -3.420 12.739 -7.008 1.00 0.00 C ATOM 999 CG LEU A 68 -3.014 12.544 -5.547 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.574 13.663 -4.683 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.484 11.189 -5.039 1.00 0.00 C ATOM 0 H LEU A 68 -1.035 12.857 -8.696 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.870 10.787 -7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.218 13.774 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.497 12.592 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.926 12.575 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.275 13.507 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.188 14.620 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.662 13.665 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.186 11.068 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.570 11.128 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.033 10.399 -5.640 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.717 10.901 -10.039 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.332 10.942 -11.360 1.00 0.00 C ATOM 1015 C VAL A 69 -5.805 10.554 -11.292 1.00 0.00 C ATOM 1016 O VAL A 69 -6.197 9.628 -10.582 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.610 10.003 -12.344 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.114 10.226 -13.762 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.105 10.205 -12.266 1.00 0.00 C ATOM 0 H VAL A 69 -3.589 9.962 -9.663 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.245 11.968 -11.718 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.830 8.973 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.593 9.554 -14.443 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.185 10.026 -13.803 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.926 11.259 -14.057 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.611 9.533 -12.968 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.863 11.237 -12.520 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.761 9.990 -11.254 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.643 11.279 -12.049 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.087 11.029 -12.094 1.00 0.00 C ATOM 1031 C PRO A 70 -8.413 9.553 -12.292 1.00 0.00 C ATOM 1032 O PRO A 70 -8.153 8.987 -13.353 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.551 11.846 -13.302 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.546 12.938 -13.430 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.245 12.398 -12.920 1.00 0.00 C ATOM 0 HA PRO A 70 -8.578 11.306 -11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.587 11.234 -14.203 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.553 12.246 -13.148 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.451 13.255 -14.469 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.852 13.813 -12.856 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.605 12.061 -13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.687 13.155 -12.368 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.986 8.935 -11.263 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.348 7.524 -11.326 1.00 0.00 C ATOM 1045 C GLU A 71 -8.401 6.759 -12.246 1.00 0.00 C ATOM 1046 O GLU A 71 -8.836 5.999 -13.112 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.789 7.365 -11.813 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.783 8.244 -11.072 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.172 8.192 -11.677 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.455 7.241 -12.434 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.976 9.105 -11.393 1.00 0.00 O ATOM 0 H GLU A 71 -9.209 9.389 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.264 7.109 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.832 7.599 -12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.087 6.322 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.833 7.930 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.426 9.274 -11.078 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.102 6.967 -12.055 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.092 6.299 -12.866 1.00 0.00 C ATOM 1060 C LYS A 72 -5.079 5.574 -11.985 1.00 0.00 C ATOM 1061 O LYS A 72 -4.903 4.360 -12.094 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.373 7.313 -13.759 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.115 7.620 -15.049 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.155 7.812 -16.212 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.880 6.500 -16.930 1.00 0.00 C ATOM 1066 NZ LYS A 72 -5.990 6.129 -17.851 1.00 0.00 N ATOM 0 H LYS A 72 -6.724 7.594 -11.344 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.594 5.563 -13.494 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.231 8.239 -13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.381 6.932 -14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.805 6.807 -15.276 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.715 8.520 -14.919 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.573 8.532 -16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.218 8.231 -15.846 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.952 6.583 -17.495 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.737 5.707 -16.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.765 5.229 -18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.871 6.025 -17.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.110 6.873 -18.567 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.416 6.326 -11.112 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.422 5.754 -10.210 1.00 0.00 C ATOM 1082 C HIS A 73 -3.095 6.722 -9.078 1.00 0.00 C ATOM 1083 O HIS A 73 -3.392 7.914 -9.162 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.149 5.400 -10.979 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.066 6.427 -10.849 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.131 7.776 -10.765 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.273 6.105 -10.793 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.157 8.240 -10.660 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 0.986 7.212 -10.678 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.549 7.332 -11.010 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.840 4.845 -9.777 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.774 4.441 -10.622 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.394 5.274 -12.034 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.677 5.104 -10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.445 9.277 -10.576 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.003 7.264 -10.614 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.482 6.202 -8.020 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.114 7.021 -6.872 1.00 0.00 C ATOM 1100 C ILE A 74 -0.738 6.634 -6.339 1.00 0.00 C ATOM 1101 O ILE A 74 -0.479 5.466 -6.048 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.146 6.894 -5.736 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.540 7.273 -6.240 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.747 7.769 -4.557 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.648 6.932 -5.268 1.00 0.00 C ATOM 0 H ILE A 74 -2.230 5.217 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.090 8.055 -7.217 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.170 5.857 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.565 8.343 -6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.727 6.763 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.486 7.668 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.771 7.457 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.698 8.810 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.608 7.229 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.650 5.858 -5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.486 7.463 -4.330 1.00 0.00 H new ATOM 1117 N VAL A 75 0.140 7.623 -6.211 1.00 0.00 N ATOM 1118 CA VAL A 75 1.489 7.387 -5.710 1.00 0.00 C ATOM 1119 C VAL A 75 1.728 8.136 -4.403 1.00 0.00 C ATOM 1120 O VAL A 75 1.635 9.362 -4.353 1.00 0.00 O ATOM 1121 CB VAL A 75 2.553 7.817 -6.737 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.921 7.279 -6.347 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.165 7.351 -8.132 1.00 0.00 C ATOM 0 H VAL A 75 -0.058 8.595 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 75 1.578 6.315 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 75 2.607 8.906 -6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.659 7.593 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.199 7.667 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.887 6.190 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.928 7.663 -8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.082 6.264 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.207 7.791 -8.409 1.00 0.00 H new ATOM 1133 N MET A 76 2.038 7.389 -3.348 1.00 0.00 N ATOM 1134 CA MET A 76 2.292 7.983 -2.041 1.00 0.00 C ATOM 1135 C MET A 76 3.268 7.129 -1.237 1.00 0.00 C ATOM 1136 O MET A 76 3.614 6.018 -1.639 1.00 0.00 O ATOM 1137 CB MET A 76 0.982 8.147 -1.268 1.00 0.00 C ATOM 1138 CG MET A 76 0.456 6.847 -0.681 1.00 0.00 C ATOM 1139 SD MET A 76 -1.317 6.898 -0.357 1.00 0.00 S ATOM 1140 CE MET A 76 -1.802 5.251 -0.865 1.00 0.00 C ATOM 0 H MET A 76 2.119 6.373 -3.373 1.00 0.00 H new ATOM 0 HA MET A 76 2.738 8.965 -2.196 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.133 8.865 -0.462 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.227 8.567 -1.933 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.672 6.029 -1.368 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.985 6.632 0.247 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.876 5.128 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.555 5.107 -1.917 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.270 4.513 -0.264 1.00 0.00 H new ATOM 1150 N LYS A 77 3.708 7.655 -0.099 1.00 0.00 N ATOM 1151 CA LYS A 77 4.643 6.941 0.763 1.00 0.00 C ATOM 1152 C LYS A 77 3.899 6.124 1.814 1.00 0.00 C ATOM 1153 O LYS A 77 2.791 6.478 2.219 1.00 0.00 O ATOM 1154 CB LYS A 77 5.593 7.927 1.446 1.00 0.00 C ATOM 1155 CG LYS A 77 6.720 8.408 0.549 1.00 0.00 C ATOM 1156 CD LYS A 77 7.812 9.100 1.347 1.00 0.00 C ATOM 1157 CE LYS A 77 7.546 10.591 1.480 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.749 11.329 1.956 1.00 0.00 N ATOM 0 H LYS A 77 3.432 8.574 0.248 1.00 0.00 H new ATOM 0 HA LYS A 77 5.223 6.258 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.022 8.789 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.021 7.453 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.144 7.561 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.323 9.095 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.879 8.652 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.775 8.943 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.232 10.991 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.722 10.752 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.492 12.315 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.114 10.878 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.482 11.310 1.219 1.00 0.00 H new ATOM 1172 N TRP A 78 4.515 5.032 2.253 1.00 0.00 N ATOM 1173 CA TRP A 78 3.910 4.166 3.259 1.00 0.00 C ATOM 1174 C TRP A 78 4.942 3.731 4.293 1.00 0.00 C ATOM 1175 O TRP A 78 6.090 3.441 3.955 1.00 0.00 O ATOM 1176 CB TRP A 78 3.285 2.938 2.595 1.00 0.00 C ATOM 1177 CG TRP A 78 2.240 2.274 3.440 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.886 2.381 3.303 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.465 1.401 4.552 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.255 1.628 4.263 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.202 1.016 5.042 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.610 0.906 5.181 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 1.054 0.161 6.130 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.463 0.057 6.262 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.193 -0.309 6.727 1.00 0.00 C ATOM 0 H TRP A 78 5.432 4.725 1.929 1.00 0.00 H new ATOM 0 HA TRP A 78 3.129 4.731 3.768 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.840 3.234 1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.070 2.217 2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.384 2.971 2.550 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.755 1.539 4.378 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.593 1.182 4.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.076 -0.122 6.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.342 -0.331 6.756 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.111 -0.975 7.573 1.00 0.00 H new ATOM 1196 N ARG A 79 4.527 3.686 5.555 1.00 0.00 N ATOM 1197 CA ARG A 79 5.417 3.287 6.639 1.00 0.00 C ATOM 1198 C ARG A 79 4.633 3.055 7.928 1.00 0.00 C ATOM 1199 O ARG A 79 3.458 3.410 8.025 1.00 0.00 O ATOM 1200 CB ARG A 79 6.489 4.353 6.866 1.00 0.00 C ATOM 1201 CG ARG A 79 5.932 5.687 7.337 1.00 0.00 C ATOM 1202 CD ARG A 79 6.928 6.427 8.216 1.00 0.00 C ATOM 1203 NE ARG A 79 7.112 5.770 9.508 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.564 6.392 10.591 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.877 7.680 10.538 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.705 5.727 11.730 1.00 0.00 N ATOM 0 H ARG A 79 3.580 3.921 5.852 1.00 0.00 H new ATOM 0 HA ARG A 79 5.900 2.352 6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.203 3.987 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.039 4.506 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.680 6.302 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.008 5.522 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.887 6.491 7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.582 7.448 8.375 1.00 0.00 H new ATOM 0 HE ARG A 79 6.881 4.779 9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.771 8.195 9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.224 8.155 11.371 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.466 4.736 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.052 6.206 12.561 1.00 0.00 H new ATOM 1220 N PHE A 80 5.292 2.457 8.915 1.00 0.00 N ATOM 1221 CA PHE A 80 4.658 2.176 10.197 1.00 0.00 C ATOM 1222 C PHE A 80 5.065 3.209 11.243 1.00 0.00 C ATOM 1223 O PHE A 80 6.006 3.977 11.041 1.00 0.00 O ATOM 1224 CB PHE A 80 5.031 0.772 10.678 1.00 0.00 C ATOM 1225 CG PHE A 80 4.036 -0.282 10.283 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.683 -0.100 10.522 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.454 -1.453 9.672 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.765 -1.068 10.158 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.540 -2.424 9.307 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.194 -2.231 9.551 1.00 0.00 C ATOM 0 H PHE A 80 6.265 2.158 8.851 1.00 0.00 H new ATOM 0 HA PHE A 80 3.578 2.230 10.059 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.008 0.507 10.275 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.126 0.782 11.764 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.342 0.808 10.998 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.505 -1.609 9.479 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.713 -0.914 10.349 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.878 -3.333 8.831 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.479 -2.989 9.267 1.00 0.00 H new ATOM 1240 N LYS A 81 4.349 3.223 12.363 1.00 0.00 N ATOM 1241 CA LYS A 81 4.634 4.160 13.442 1.00 0.00 C ATOM 1242 C LYS A 81 5.835 3.698 14.262 1.00 0.00 C ATOM 1243 O LYS A 81 6.258 4.376 15.197 1.00 0.00 O ATOM 1244 CB LYS A 81 3.412 4.311 14.350 1.00 0.00 C ATOM 1245 CG LYS A 81 3.727 4.944 15.695 1.00 0.00 C ATOM 1246 CD LYS A 81 4.159 3.903 16.714 1.00 0.00 C ATOM 1247 CE LYS A 81 2.970 3.351 17.485 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.376 2.282 18.439 1.00 0.00 N ATOM 0 H LYS A 81 3.566 2.595 12.546 1.00 0.00 H new ATOM 0 HA LYS A 81 4.870 5.126 12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.663 4.917 13.839 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.969 3.329 14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.517 5.685 15.573 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.848 5.473 16.064 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.675 3.088 16.207 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.871 4.347 17.410 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.484 4.160 18.031 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.236 2.953 16.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.538 1.932 18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.817 1.499 17.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.057 2.668 19.123 1.00 0.00 H new ATOM 1262 N SER A 82 6.380 2.540 13.903 1.00 0.00 N ATOM 1263 CA SER A 82 7.531 1.986 14.606 1.00 0.00 C ATOM 1264 C SER A 82 8.712 1.805 13.658 1.00 0.00 C ATOM 1265 O SER A 82 9.677 1.111 13.976 1.00 0.00 O ATOM 1266 CB SER A 82 7.167 0.644 15.246 1.00 0.00 C ATOM 1267 OG SER A 82 8.283 0.076 15.908 1.00 0.00 O ATOM 0 H SER A 82 6.043 1.967 13.129 1.00 0.00 H new ATOM 0 HA SER A 82 7.820 2.688 15.388 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.352 0.785 15.956 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.807 -0.042 14.480 1.00 0.00 H new ATOM 0 HG SER A 82 9.109 0.460 15.545 1.00 0.00 H new ATOM 1273 N TRP A 83 8.628 2.436 12.492 1.00 0.00 N ATOM 1274 CA TRP A 83 9.689 2.346 11.496 1.00 0.00 C ATOM 1275 C TRP A 83 10.803 3.343 11.796 1.00 0.00 C ATOM 1276 O TRP A 83 10.603 4.346 12.481 1.00 0.00 O ATOM 1277 CB TRP A 83 9.126 2.597 10.096 1.00 0.00 C ATOM 1278 CG TRP A 83 8.603 1.358 9.435 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.293 0.174 10.042 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.330 1.181 8.041 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.844 -0.729 9.108 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.856 -0.135 7.874 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.437 2.006 6.918 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.493 -0.643 6.629 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 8.076 1.501 5.684 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.608 0.187 5.547 1.00 0.00 C ATOM 0 H TRP A 83 7.836 3.015 12.213 1.00 0.00 H new ATOM 0 HA TRP A 83 10.107 1.340 11.536 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.323 3.332 10.161 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.906 3.032 9.471 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.387 -0.023 11.100 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.550 -1.686 9.302 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.796 3.020 7.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.134 -1.656 6.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.156 2.130 4.809 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.333 -0.178 4.568 1.00 0.00 H new ATOM 1297 N PRO A 84 12.006 3.063 11.273 1.00 0.00 N ATOM 1298 CA PRO A 84 13.175 3.925 11.471 1.00 0.00 C ATOM 1299 C PRO A 84 12.906 5.370 11.067 1.00 0.00 C ATOM 1300 O PRO A 84 11.939 5.656 10.362 1.00 0.00 O ATOM 1301 CB PRO A 84 14.234 3.302 10.557 1.00 0.00 C ATOM 1302 CG PRO A 84 13.830 1.874 10.428 1.00 0.00 C ATOM 1303 CD PRO A 84 12.317 1.885 10.447 1.00 0.00 C ATOM 0 HA PRO A 84 13.472 3.974 12.519 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.259 3.796 9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.232 3.394 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.209 1.440 9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.230 1.276 11.247 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.901 1.974 9.443 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.912 0.970 10.880 1.00 0.00 H new ATOM 1311 N GLU A 85 13.767 6.277 11.518 1.00 0.00 N ATOM 1312 CA GLU A 85 13.620 7.693 11.202 1.00 0.00 C ATOM 1313 C GLU A 85 13.854 7.946 9.715 1.00 0.00 C ATOM 1314 O GLU A 85 14.809 7.436 9.130 1.00 0.00 O ATOM 1315 CB GLU A 85 14.598 8.527 12.032 1.00 0.00 C ATOM 1316 CG GLU A 85 14.559 10.011 11.708 1.00 0.00 C ATOM 1317 CD GLU A 85 15.609 10.801 12.465 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.551 10.821 13.712 1.00 0.00 O ATOM 1319 OE2 GLU A 85 16.488 11.400 11.810 1.00 0.00 O ATOM 0 H GLU A 85 14.573 6.057 12.103 1.00 0.00 H new ATOM 0 HA GLU A 85 12.600 7.990 11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.374 8.389 13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.609 8.154 11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.708 10.149 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.571 10.405 11.946 1.00 0.00 H new ATOM 1326 N GLY A 86 12.973 8.737 9.110 1.00 0.00 N ATOM 1327 CA GLY A 86 13.099 9.044 7.697 1.00 0.00 C ATOM 1328 C GLY A 86 13.189 7.797 6.839 1.00 0.00 C ATOM 1329 O GLY A 86 14.144 7.623 6.082 1.00 0.00 O ATOM 0 H GLY A 86 12.174 9.171 9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.242 9.639 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.988 9.655 7.539 1.00 0.00 H new ATOM 1333 N HIS A 87 12.192 6.926 6.958 1.00 0.00 N ATOM 1334 CA HIS A 87 12.162 5.688 6.187 1.00 0.00 C ATOM 1335 C HIS A 87 10.739 5.356 5.747 1.00 0.00 C ATOM 1336 O HIS A 87 9.917 4.915 6.550 1.00 0.00 O ATOM 1337 CB HIS A 87 12.736 4.536 7.012 1.00 0.00 C ATOM 1338 CG HIS A 87 13.081 3.329 6.195 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.379 2.965 5.902 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.290 2.400 5.609 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.371 1.865 5.170 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.115 1.501 4.978 1.00 0.00 N ATOM 0 H HIS A 87 11.394 7.054 7.581 1.00 0.00 H new ATOM 0 HA HIS A 87 12.775 5.828 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.630 4.881 7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.013 4.252 7.777 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.211 2.371 5.633 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.243 1.351 4.793 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.808 0.685 4.448 1.00 0.00 H new ATOM 1351 N PHE A 88 10.456 5.572 4.467 1.00 0.00 N ATOM 1352 CA PHE A 88 9.132 5.297 3.920 1.00 0.00 C ATOM 1353 C PHE A 88 9.225 4.376 2.707 1.00 0.00 C ATOM 1354 O PHE A 88 10.318 4.049 2.245 1.00 0.00 O ATOM 1355 CB PHE A 88 8.436 6.603 3.531 1.00 0.00 C ATOM 1356 CG PHE A 88 8.073 7.462 4.708 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.056 7.965 5.545 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.748 7.767 4.977 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.724 8.757 6.629 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.411 8.558 6.059 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.400 9.052 6.887 1.00 0.00 C ATOM 0 H PHE A 88 11.125 5.936 3.789 1.00 0.00 H new ATOM 0 HA PHE A 88 8.545 4.796 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.088 7.169 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.532 6.370 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.093 7.736 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.970 7.382 4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.500 9.144 7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.375 8.790 6.257 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.138 9.668 7.735 1.00 0.00 H new ATOM 1371 N ALA A 89 8.070 3.961 2.197 1.00 0.00 N ATOM 1372 CA ALA A 89 8.020 3.080 1.037 1.00 0.00 C ATOM 1373 C ALA A 89 7.165 3.681 -0.074 1.00 0.00 C ATOM 1374 O ALA A 89 6.064 4.174 0.173 1.00 0.00 O ATOM 1375 CB ALA A 89 7.484 1.713 1.436 1.00 0.00 C ATOM 0 H ALA A 89 7.157 4.221 2.569 1.00 0.00 H new ATOM 0 HA ALA A 89 9.035 2.964 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.452 1.065 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.136 1.272 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.479 1.821 1.844 1.00 0.00 H new ATOM 1381 N THR A 90 7.680 3.639 -1.299 1.00 0.00 N ATOM 1382 CA THR A 90 6.965 4.182 -2.447 1.00 0.00 C ATOM 1383 C THR A 90 5.873 3.227 -2.916 1.00 0.00 C ATOM 1384 O THR A 90 6.158 2.113 -3.357 1.00 0.00 O ATOM 1385 CB THR A 90 7.921 4.467 -3.621 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.048 5.222 -3.162 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.208 5.230 -4.726 1.00 0.00 C ATOM 0 H THR A 90 8.590 3.235 -1.521 1.00 0.00 H new ATOM 0 HA THR A 90 6.511 5.118 -2.123 1.00 0.00 H new ATOM 0 HB THR A 90 8.263 3.513 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.652 5.398 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.903 5.420 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.368 4.639 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.841 6.179 -4.335 1.00 0.00 H new ATOM 1395 N ILE A 91 4.625 3.671 -2.820 1.00 0.00 N ATOM 1396 CA ILE A 91 3.490 2.855 -3.236 1.00 0.00 C ATOM 1397 C ILE A 91 2.716 3.527 -4.365 1.00 0.00 C ATOM 1398 O ILE A 91 2.296 4.678 -4.246 1.00 0.00 O ATOM 1399 CB ILE A 91 2.532 2.582 -2.062 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.108 1.502 -1.145 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.162 2.169 -2.582 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.322 1.955 -0.366 1.00 0.00 C ATOM 0 H ILE A 91 4.373 4.591 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 91 3.895 1.907 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 91 2.419 3.499 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.336 1.182 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.375 0.632 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.496 1.979 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.750 2.969 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.258 1.263 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.676 1.138 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.111 2.248 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.055 2.806 0.261 1.00 0.00 H new ATOM 1414 N THR A 92 2.528 2.798 -5.461 1.00 0.00 N ATOM 1415 CA THR A 92 1.803 3.322 -6.612 1.00 0.00 C ATOM 1416 C THR A 92 0.617 2.433 -6.967 1.00 0.00 C ATOM 1417 O THR A 92 0.775 1.400 -7.619 1.00 0.00 O ATOM 1418 CB THR A 92 2.720 3.451 -7.843 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.782 4.371 -7.569 1.00 0.00 O ATOM 1420 CG2 THR A 92 1.934 3.922 -9.057 1.00 0.00 C ATOM 0 H THR A 92 2.868 1.843 -5.576 1.00 0.00 H new ATOM 0 HA THR A 92 1.441 4.311 -6.333 1.00 0.00 H new ATOM 0 HB THR A 92 3.139 2.468 -8.061 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.361 4.446 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.603 4.006 -9.914 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.145 3.204 -9.281 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.490 4.895 -8.848 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.571 2.839 -6.534 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.786 2.078 -6.806 1.00 0.00 C ATOM 1430 C LEU A 93 -2.371 2.454 -8.164 1.00 0.00 C ATOM 1431 O LEU A 93 -2.177 3.569 -8.649 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.822 2.322 -5.707 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.550 1.639 -4.366 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.474 2.190 -3.290 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.715 0.132 -4.492 1.00 0.00 C ATOM 0 H LEU A 93 -0.719 3.691 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.526 1.020 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.896 3.396 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.794 1.989 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.521 1.849 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.266 1.693 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.308 3.262 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.511 2.011 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.518 -0.337 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.733 -0.098 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.012 -0.250 -5.232 1.00 0.00 H new ATOM 1447 N THR A 94 -3.089 1.516 -8.773 1.00 0.00 N ATOM 1448 CA THR A 94 -3.703 1.749 -10.074 1.00 0.00 C ATOM 1449 C THR A 94 -5.099 1.139 -10.141 1.00 0.00 C ATOM 1450 O THR A 94 -5.307 -0.006 -9.739 1.00 0.00 O ATOM 1451 CB THR A 94 -2.846 1.164 -11.213 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.459 1.232 -10.866 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.086 1.917 -12.513 1.00 0.00 C ATOM 0 H THR A 94 -3.260 0.588 -8.386 1.00 0.00 H new ATOM 0 HA THR A 94 -3.774 2.829 -10.200 1.00 0.00 H new ATOM 0 HB THR A 94 -3.134 0.123 -11.357 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.921 0.857 -11.594 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.470 1.486 -13.302 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.137 1.839 -12.790 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.823 2.966 -12.380 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.053 1.911 -10.650 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.431 1.447 -10.768 1.00 0.00 C ATOM 1463 C PHE A 95 -7.771 1.120 -12.219 1.00 0.00 C ATOM 1464 O PHE A 95 -7.655 1.970 -13.102 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.396 2.506 -10.232 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.063 2.973 -8.844 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.962 3.782 -8.617 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.852 2.603 -7.767 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.653 4.213 -7.340 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.548 3.031 -6.488 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.448 3.838 -6.275 1.00 0.00 C ATOM 0 H PHE A 95 -5.898 2.861 -10.988 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.535 0.538 -10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.393 3.363 -10.906 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.408 2.100 -10.237 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.338 4.080 -9.447 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.714 1.973 -7.928 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.791 4.842 -7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.170 2.734 -5.656 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.210 4.175 -5.277 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.192 -0.118 -12.457 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.550 -0.558 -13.800 1.00 0.00 C ATOM 1483 C ILE A 96 -10.041 -0.861 -13.899 1.00 0.00 C ATOM 1484 O ILE A 96 -10.686 -1.192 -12.904 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.754 -1.810 -14.213 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.258 -1.588 -13.984 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -8.028 -2.155 -15.669 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.445 -2.863 -14.027 1.00 0.00 C ATOM 0 H ILE A 96 -8.293 -0.834 -11.737 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.302 0.259 -14.477 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.076 -2.648 -13.595 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.881 -0.900 -14.741 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.114 -1.107 -13.016 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.458 -3.042 -15.946 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.092 -2.351 -15.803 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.730 -1.320 -16.303 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.394 -2.630 -13.857 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.796 -3.544 -13.252 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.559 -3.334 -15.003 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.583 -0.749 -15.107 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.998 -1.014 -15.338 1.00 0.00 C ATOM 1502 C ASP A 97 -12.199 -2.398 -15.946 1.00 0.00 C ATOM 1503 O ASP A 97 -11.564 -2.751 -16.940 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.595 0.052 -16.258 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.867 -0.416 -16.938 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.821 -0.782 -16.222 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.907 -0.416 -18.187 1.00 0.00 O ATOM 0 H ASP A 97 -10.063 -0.476 -15.941 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.510 -0.981 -14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.806 0.951 -15.679 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.861 0.326 -17.016 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.087 -3.181 -15.341 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.373 -4.527 -15.822 1.00 0.00 C ATOM 1514 C LYS A 98 -14.866 -4.708 -16.077 1.00 0.00 C ATOM 1515 O LYS A 98 -15.343 -5.828 -16.255 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.889 -5.567 -14.808 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.451 -5.359 -14.365 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.478 -6.107 -15.261 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.224 -6.516 -14.503 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.457 -7.567 -15.226 1.00 0.00 N ATOM 0 H LYS A 98 -13.621 -2.906 -14.517 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.841 -4.670 -16.763 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.538 -5.539 -13.933 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.986 -6.561 -15.245 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.215 -4.295 -14.379 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.334 -5.698 -13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.964 -6.994 -15.668 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.204 -5.478 -16.108 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.590 -5.642 -14.352 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.501 -6.883 -13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.439 -7.419 -15.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.728 -8.504 -14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.668 -7.513 -16.243 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.598 -3.599 -16.094 1.00 0.00 N ATOM 1535 CA ASN A 99 -17.036 -3.635 -16.328 1.00 0.00 C ATOM 1536 C ASN A 99 -17.770 -4.207 -15.119 1.00 0.00 C ATOM 1537 O ASN A 99 -18.582 -5.122 -15.248 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.351 -4.470 -17.571 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.600 -3.995 -18.287 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.547 -3.585 -19.446 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.733 -4.047 -17.596 1.00 0.00 N ATOM 0 H ASN A 99 -15.218 -2.664 -15.948 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.378 -2.613 -16.489 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.505 -4.429 -18.257 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.476 -5.513 -17.282 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.606 -3.740 -18.024 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.730 -4.394 -16.637 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.478 -3.660 -13.943 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.119 -4.127 -12.727 1.00 0.00 C ATOM 1550 C GLY A 100 -17.147 -4.251 -11.571 1.00 0.00 C ATOM 1551 O GLY A 100 -17.525 -4.073 -10.413 1.00 0.00 O ATOM 0 H GLY A 100 -16.809 -2.902 -13.810 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.918 -3.438 -12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.583 -5.096 -12.913 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.892 -4.558 -11.884 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.865 -4.708 -10.860 1.00 0.00 C ATOM 1557 C GLU A 101 -13.651 -3.839 -11.176 1.00 0.00 C ATOM 1558 O GLU A 101 -13.447 -3.427 -12.319 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.440 -6.173 -10.743 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.596 -7.153 -10.849 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.196 -8.570 -10.487 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.694 -8.775 -9.362 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.384 -9.473 -11.328 1.00 0.00 O ATOM 0 H GLU A 101 -15.562 -4.708 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.286 -4.382 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.714 -6.395 -11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.936 -6.321 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.403 -6.829 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.987 -7.139 -11.866 1.00 0.00 H new ATOM 1570 N THR A 102 -12.846 -3.562 -10.155 1.00 0.00 N ATOM 1571 CA THR A 102 -11.654 -2.741 -10.322 1.00 0.00 C ATOM 1572 C THR A 102 -10.399 -3.504 -9.913 1.00 0.00 C ATOM 1573 O THR A 102 -10.328 -4.057 -8.816 1.00 0.00 O ATOM 1574 CB THR A 102 -11.744 -1.444 -9.495 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.857 -0.658 -9.937 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.463 -0.633 -9.619 1.00 0.00 C ATOM 0 H THR A 102 -12.999 -3.895 -9.203 1.00 0.00 H new ATOM 0 HA THR A 102 -11.593 -2.485 -11.380 1.00 0.00 H new ATOM 0 HB THR A 102 -11.883 -1.715 -8.449 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.618 -0.802 -9.336 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.550 0.278 -9.027 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.622 -1.223 -9.255 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.298 -0.372 -10.664 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.411 -3.529 -10.803 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.159 -4.225 -10.533 1.00 0.00 C ATOM 1586 C GLU A 103 -7.136 -3.282 -9.905 1.00 0.00 C ATOM 1587 O GLU A 103 -6.511 -2.477 -10.597 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.593 -4.823 -11.823 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.605 -5.953 -11.589 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.756 -6.248 -12.810 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.205 -5.941 -13.934 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.642 -6.787 -12.641 1.00 0.00 O ATOM 0 H GLU A 103 -9.454 -3.076 -11.716 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.366 -5.030 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.417 -5.193 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.102 -4.035 -12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.955 -5.695 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.149 -6.853 -11.304 1.00 0.00 H new ATOM 1599 N LEU A 104 -6.972 -3.387 -8.591 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.026 -2.544 -7.868 1.00 0.00 C ATOM 1601 C LEU A 104 -4.625 -3.145 -7.903 1.00 0.00 C ATOM 1602 O LEU A 104 -4.344 -4.130 -7.219 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.480 -2.361 -6.419 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.707 -1.327 -5.599 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -6.007 0.079 -6.095 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.045 -1.457 -4.121 1.00 0.00 C ATOM 0 H LEU A 104 -7.482 -4.048 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.996 -1.571 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.533 -2.079 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.409 -3.324 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.641 -1.515 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.448 0.802 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.714 0.166 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.074 0.278 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.486 -0.713 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.113 -1.296 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.778 -2.455 -3.773 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.749 -2.544 -8.700 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.375 -3.019 -8.823 1.00 0.00 C ATOM 1620 C CYS A 105 -1.436 -2.201 -7.942 1.00 0.00 C ATOM 1621 O CYS A 105 -0.940 -1.153 -8.354 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.917 -2.949 -10.280 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.442 -3.933 -10.638 1.00 0.00 S ATOM 0 H CYS A 105 -3.965 -1.727 -9.271 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.345 -4.057 -8.490 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.731 -3.287 -10.922 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.718 -1.909 -10.538 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.134 -3.811 -11.895 1.00 0.00 H new ATOM 1629 N MET A 106 -1.199 -2.686 -6.728 1.00 0.00 N ATOM 1630 CA MET A 106 -0.320 -1.999 -5.789 1.00 0.00 C ATOM 1631 C MET A 106 1.141 -2.341 -6.061 1.00 0.00 C ATOM 1632 O MET A 106 1.477 -3.494 -6.330 1.00 0.00 O ATOM 1633 CB MET A 106 -0.684 -2.372 -4.350 1.00 0.00 C ATOM 1634 CG MET A 106 -0.049 -1.465 -3.309 1.00 0.00 C ATOM 1635 SD MET A 106 1.701 -1.815 -3.055 1.00 0.00 S ATOM 1636 CE MET A 106 1.645 -2.722 -1.512 1.00 0.00 C ATOM 0 H MET A 106 -1.603 -3.552 -6.371 1.00 0.00 H new ATOM 0 HA MET A 106 -0.454 -0.926 -5.924 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.768 -2.338 -4.237 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.376 -3.400 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.166 -0.426 -3.618 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.579 -1.578 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.576 -2.570 -0.966 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.809 -2.365 -0.910 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.516 -3.784 -1.719 1.00 0.00 H new ATOM 1646 N GLU A 107 2.004 -1.333 -5.990 1.00 0.00 N ATOM 1647 CA GLU A 107 3.429 -1.529 -6.231 1.00 0.00 C ATOM 1648 C GLU A 107 4.263 -0.818 -5.169 1.00 0.00 C ATOM 1649 O GLU A 107 4.506 0.385 -5.258 1.00 0.00 O ATOM 1650 CB GLU A 107 3.809 -1.017 -7.621 1.00 0.00 C ATOM 1651 CG GLU A 107 5.068 -1.657 -8.182 1.00 0.00 C ATOM 1652 CD GLU A 107 5.740 -0.797 -9.235 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.537 0.435 -9.215 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.470 -1.357 -10.081 1.00 0.00 O ATOM 0 H GLU A 107 1.742 -0.373 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 107 3.637 -2.598 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.981 -1.202 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.950 0.063 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.769 -1.844 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.817 -2.625 -8.615 1.00 0.00 H new ATOM 1661 N GLY A 108 4.698 -1.571 -4.164 1.00 0.00 N ATOM 1662 CA GLY A 108 5.500 -0.997 -3.099 1.00 0.00 C ATOM 1663 C GLY A 108 6.972 -1.328 -3.238 1.00 0.00 C ATOM 1664 O GLY A 108 7.335 -2.475 -3.501 1.00 0.00 O ATOM 0 H GLY A 108 4.509 -2.569 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.373 0.086 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.138 -1.363 -2.138 1.00 0.00 H new ATOM 1668 N ARG A 109 7.823 -0.322 -3.062 1.00 0.00 N ATOM 1669 CA ARG A 109 9.264 -0.512 -3.172 1.00 0.00 C ATOM 1670 C ARG A 109 10.002 0.305 -2.116 1.00 0.00 C ATOM 1671 O ARG A 109 10.014 1.534 -2.164 1.00 0.00 O ATOM 1672 CB ARG A 109 9.747 -0.116 -4.569 1.00 0.00 C ATOM 1673 CG ARG A 109 9.283 1.264 -5.005 1.00 0.00 C ATOM 1674 CD ARG A 109 9.097 1.339 -6.512 1.00 0.00 C ATOM 1675 NE ARG A 109 9.208 2.708 -7.010 1.00 0.00 N ATOM 1676 CZ ARG A 109 8.652 3.125 -8.142 1.00 0.00 C ATOM 1677 NH1 ARG A 109 7.951 2.284 -8.890 1.00 0.00 N ATOM 1678 NH2 ARG A 109 8.797 4.386 -8.528 1.00 0.00 N ATOM 0 H ARG A 109 7.539 0.633 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 109 9.480 -1.567 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.836 -0.147 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.393 -0.854 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.343 1.507 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.012 2.011 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.844 0.714 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.120 0.935 -6.777 1.00 0.00 H new ATOM 0 HE ARG A 109 9.741 3.380 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 109 7.837 1.314 -8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.525 2.607 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.336 5.036 -7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.370 4.706 -9.397 1.00 0.00 H new ATOM 1692 N GLY A 110 10.618 -0.388 -1.163 1.00 0.00 N ATOM 1693 CA GLY A 110 11.349 0.290 -0.108 1.00 0.00 C ATOM 1694 C GLY A 110 10.950 -0.188 1.274 1.00 0.00 C ATOM 1695 O GLY A 110 11.393 0.365 2.281 1.00 0.00 O ATOM 0 H GLY A 110 10.624 -1.406 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.418 0.130 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.175 1.364 -0.182 1.00 0.00 H new ATOM 1699 N ILE A 111 10.109 -1.216 1.323 1.00 0.00 N ATOM 1700 CA ILE A 111 9.650 -1.767 2.592 1.00 0.00 C ATOM 1701 C ILE A 111 10.756 -2.561 3.278 1.00 0.00 C ATOM 1702 O ILE A 111 11.287 -3.530 2.735 1.00 0.00 O ATOM 1703 CB ILE A 111 8.423 -2.677 2.399 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.175 -1.836 2.127 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.219 -3.557 3.624 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.967 -1.519 0.662 1.00 0.00 C ATOM 0 H ILE A 111 9.732 -1.684 0.499 1.00 0.00 H new ATOM 0 HA ILE A 111 9.370 -0.922 3.221 1.00 0.00 H new ATOM 0 HB ILE A 111 8.598 -3.321 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.300 -2.366 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.247 -0.903 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.348 -4.195 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.102 -4.178 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.061 -2.929 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.064 -0.920 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.824 -0.961 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.863 -2.447 0.100 1.00 0.00 H new ATOM 1718 N PRO A 112 11.112 -2.145 4.503 1.00 0.00 N ATOM 1719 CA PRO A 112 12.156 -2.805 5.291 1.00 0.00 C ATOM 1720 C PRO A 112 11.983 -4.319 5.330 1.00 0.00 C ATOM 1721 O PRO A 112 10.944 -4.824 5.753 1.00 0.00 O ATOM 1722 CB PRO A 112 11.973 -2.210 6.690 1.00 0.00 C ATOM 1723 CG PRO A 112 11.345 -0.880 6.457 1.00 0.00 C ATOM 1724 CD PRO A 112 10.521 -0.997 5.211 1.00 0.00 C ATOM 0 HA PRO A 112 13.148 -2.643 4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.339 -2.844 7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.928 -2.112 7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.723 -0.593 7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.107 -0.108 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.470 -1.168 5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.572 -0.088 4.611 1.00 0.00 H new ATOM 1732 N ALA A 113 13.008 -5.039 4.886 1.00 0.00 N ATOM 1733 CA ALA A 113 12.970 -6.496 4.872 1.00 0.00 C ATOM 1734 C ALA A 113 12.487 -7.045 6.210 1.00 0.00 C ATOM 1735 O ALA A 113 11.630 -7.927 6.273 1.00 0.00 O ATOM 1736 CB ALA A 113 14.344 -7.057 4.535 1.00 0.00 C ATOM 0 H ALA A 113 13.875 -4.637 4.531 1.00 0.00 H new ATOM 0 HA ALA A 113 12.263 -6.809 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.301 -8.146 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.652 -6.700 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.065 -6.727 5.283 1.00 0.00 H new ATOM 1742 N PRO A 114 13.047 -6.513 7.306 1.00 0.00 N ATOM 1743 CA PRO A 114 12.688 -6.936 8.663 1.00 0.00 C ATOM 1744 C PRO A 114 11.195 -6.793 8.939 1.00 0.00 C ATOM 1745 O PRO A 114 10.664 -7.406 9.864 1.00 0.00 O ATOM 1746 CB PRO A 114 13.490 -5.985 9.555 1.00 0.00 C ATOM 1747 CG PRO A 114 14.635 -5.547 8.708 1.00 0.00 C ATOM 1748 CD PRO A 114 14.075 -5.459 7.305 1.00 0.00 C ATOM 0 HA PRO A 114 12.909 -7.990 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.885 -5.136 9.873 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.835 -6.487 10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.024 -4.584 9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.459 -6.259 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.649 -4.477 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.841 -5.639 6.550 1.00 0.00 H new ATOM 1756 N GLU A 115 10.524 -5.979 8.130 1.00 0.00 N ATOM 1757 CA GLU A 115 9.092 -5.756 8.288 1.00 0.00 C ATOM 1758 C GLU A 115 8.324 -6.266 7.072 1.00 0.00 C ATOM 1759 O GLU A 115 7.109 -6.452 7.126 1.00 0.00 O ATOM 1760 CB GLU A 115 8.805 -4.268 8.499 1.00 0.00 C ATOM 1761 CG GLU A 115 9.678 -3.625 9.564 1.00 0.00 C ATOM 1762 CD GLU A 115 9.423 -4.192 10.947 1.00 0.00 C ATOM 1763 OE1 GLU A 115 10.012 -5.242 11.276 1.00 0.00 O ATOM 1764 OE2 GLU A 115 8.635 -3.583 11.701 1.00 0.00 O ATOM 0 H GLU A 115 10.949 -5.464 7.359 1.00 0.00 H new ATOM 0 HA GLU A 115 8.759 -6.311 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.950 -3.741 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.758 -4.144 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.727 -3.768 9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.497 -2.550 9.577 1.00 0.00 H new ATOM 1771 N GLU A 116 9.043 -6.488 5.976 1.00 0.00 N ATOM 1772 CA GLU A 116 8.429 -6.975 4.746 1.00 0.00 C ATOM 1773 C GLU A 116 7.269 -7.918 5.054 1.00 0.00 C ATOM 1774 O GLU A 116 6.189 -7.799 4.475 1.00 0.00 O ATOM 1775 CB GLU A 116 9.467 -7.692 3.880 1.00 0.00 C ATOM 1776 CG GLU A 116 8.931 -8.136 2.530 1.00 0.00 C ATOM 1777 CD GLU A 116 9.899 -9.035 1.785 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.114 -8.955 2.059 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.440 -9.819 0.928 1.00 0.00 O ATOM 0 H GLU A 116 10.050 -6.339 5.915 1.00 0.00 H new ATOM 0 HA GLU A 116 8.041 -6.116 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.318 -7.029 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.838 -8.564 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.988 -8.664 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.716 -7.257 1.922 1.00 0.00 H new ATOM 1786 N GLU A 117 7.501 -8.855 5.968 1.00 0.00 N ATOM 1787 CA GLU A 117 6.476 -9.819 6.350 1.00 0.00 C ATOM 1788 C GLU A 117 5.316 -9.126 7.059 1.00 0.00 C ATOM 1789 O GLU A 117 4.192 -9.106 6.558 1.00 0.00 O ATOM 1790 CB GLU A 117 7.072 -10.897 7.258 1.00 0.00 C ATOM 1791 CG GLU A 117 6.101 -12.017 7.591 1.00 0.00 C ATOM 1792 CD GLU A 117 6.794 -13.240 8.159 1.00 0.00 C ATOM 1793 OE1 GLU A 117 7.366 -13.138 9.265 1.00 0.00 O ATOM 1794 OE2 GLU A 117 6.765 -14.299 7.498 1.00 0.00 O ATOM 0 H GLU A 117 8.389 -8.967 6.457 1.00 0.00 H new ATOM 0 HA GLU A 117 6.097 -10.288 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.952 -11.322 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.410 -10.433 8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.366 -11.654 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.555 -12.299 6.691 1.00 0.00 H new ATOM 1801 N ARG A 118 5.597 -8.561 8.229 1.00 0.00 N ATOM 1802 CA ARG A 118 4.577 -7.869 9.008 1.00 0.00 C ATOM 1803 C ARG A 118 3.717 -6.982 8.112 1.00 0.00 C ATOM 1804 O ARG A 118 2.488 -7.031 8.167 1.00 0.00 O ATOM 1805 CB ARG A 118 5.228 -7.025 10.105 1.00 0.00 C ATOM 1806 CG ARG A 118 4.256 -6.103 10.822 1.00 0.00 C ATOM 1807 CD ARG A 118 4.960 -4.875 11.378 1.00 0.00 C ATOM 1808 NE ARG A 118 4.061 -4.042 12.173 1.00 0.00 N ATOM 1809 CZ ARG A 118 3.793 -4.267 13.454 1.00 0.00 C ATOM 1810 NH1 ARG A 118 4.351 -5.292 14.083 1.00 0.00 N ATOM 1811 NH2 ARG A 118 2.964 -3.464 14.110 1.00 0.00 N ATOM 0 H ARG A 118 6.522 -8.569 8.658 1.00 0.00 H new ATOM 0 HA ARG A 118 3.936 -8.620 9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.692 -7.688 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.026 -6.427 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.471 -5.793 10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.771 -6.645 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.803 -5.188 11.994 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.367 -4.287 10.555 1.00 0.00 H new ATOM 0 HE ARG A 118 3.615 -3.244 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.989 -5.911 13.583 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.142 -5.461 15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 118 2.533 -2.674 13.630 1.00 0.00 H new ATOM 0 HH22 ARG A 118 2.758 -3.637 15.094 1.00 0.00 H new ATOM 1825 N THR A 119 4.372 -6.171 7.287 1.00 0.00 N ATOM 1826 CA THR A 119 3.668 -5.272 6.381 1.00 0.00 C ATOM 1827 C THR A 119 2.582 -6.011 5.607 1.00 0.00 C ATOM 1828 O THR A 119 1.391 -5.814 5.849 1.00 0.00 O ATOM 1829 CB THR A 119 4.636 -4.611 5.381 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.759 -5.469 5.147 1.00 0.00 O ATOM 1831 CG2 THR A 119 5.119 -3.267 5.903 1.00 0.00 C ATOM 0 H THR A 119 5.389 -6.118 7.228 1.00 0.00 H new ATOM 0 HA THR A 119 3.209 -4.498 6.997 1.00 0.00 H new ATOM 0 HB THR A 119 4.102 -4.448 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 119 5.484 -6.220 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.801 -2.820 5.180 1.00 0.00 H new ATOM 0 HG22 THR A 119 4.265 -2.607 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.638 -3.410 6.851 1.00 0.00 H new ATOM 1839 N ARG A 120 3.000 -6.862 4.676 1.00 0.00 N ATOM 1840 CA ARG A 120 2.062 -7.630 3.866 1.00 0.00 C ATOM 1841 C ARG A 120 1.070 -8.381 4.749 1.00 0.00 C ATOM 1842 O ARG A 120 -0.043 -8.688 4.325 1.00 0.00 O ATOM 1843 CB ARG A 120 2.816 -8.617 2.973 1.00 0.00 C ATOM 1844 CG ARG A 120 2.122 -8.893 1.650 1.00 0.00 C ATOM 1845 CD ARG A 120 3.066 -9.542 0.650 1.00 0.00 C ATOM 1846 NE ARG A 120 2.345 -10.195 -0.440 1.00 0.00 N ATOM 1847 CZ ARG A 120 1.759 -11.381 -0.327 1.00 0.00 C ATOM 1848 NH1 ARG A 120 1.808 -12.042 0.822 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.122 -11.910 -1.364 1.00 0.00 N ATOM 0 H ARG A 120 3.982 -7.037 4.464 1.00 0.00 H new ATOM 0 HA ARG A 120 1.507 -6.933 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.814 -8.226 2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.942 -9.557 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.264 -9.544 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.739 -7.960 1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.735 -8.786 0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.689 -10.275 1.163 1.00 0.00 H new ATOM 0 HE ARG A 120 2.289 -9.713 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.297 -11.639 1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.357 -12.953 0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.082 -11.405 -2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.672 -12.821 -1.276 1.00 0.00 H new ATOM 1863 N GLN A 121 1.484 -8.674 5.978 1.00 0.00 N ATOM 1864 CA GLN A 121 0.632 -9.391 6.920 1.00 0.00 C ATOM 1865 C GLN A 121 -0.427 -8.465 7.509 1.00 0.00 C ATOM 1866 O GLN A 121 -1.484 -8.915 7.950 1.00 0.00 O ATOM 1867 CB GLN A 121 1.475 -10.000 8.041 1.00 0.00 C ATOM 1868 CG GLN A 121 2.452 -11.060 7.560 1.00 0.00 C ATOM 1869 CD GLN A 121 1.851 -12.452 7.562 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.634 -12.615 7.469 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.703 -13.465 7.667 1.00 0.00 N ATOM 0 H GLN A 121 2.403 -8.426 6.344 1.00 0.00 H new ATOM 0 HA GLN A 121 0.128 -10.192 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.030 -9.205 8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.811 -10.440 8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.783 -10.813 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.336 -11.049 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.704 -13.284 7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.356 -14.424 7.673 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.136 -7.167 7.514 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.073 -6.198 8.052 1.00 0.00 C ATOM 1882 C GLY A 122 -1.396 -5.094 7.065 1.00 0.00 C ATOM 1883 O GLY A 122 -1.942 -4.057 7.441 1.00 0.00 O ATOM 0 H GLY A 122 0.732 -6.770 7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.994 -6.707 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.657 -5.760 8.959 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.057 -5.316 5.800 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.313 -4.330 4.756 1.00 0.00 C ATOM 1889 C TRP A 123 -2.722 -4.486 4.193 1.00 0.00 C ATOM 1890 O TRP A 123 -3.574 -3.620 4.383 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.284 -4.467 3.633 1.00 0.00 C ATOM 1892 CG TRP A 123 0.038 -3.167 2.961 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.021 -2.285 3.309 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.627 -2.602 1.825 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.007 -1.206 2.459 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.006 -1.376 1.539 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.693 -3.012 1.021 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.394 -0.560 0.485 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -2.090 -2.201 -0.025 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.441 -0.987 -0.286 1.00 0.00 C ATOM 0 H TRP A 123 -0.604 -6.169 5.473 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.227 -3.338 5.199 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.633 -4.894 4.040 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.660 -5.169 2.889 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.708 -2.417 4.132 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.640 -0.407 2.505 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.198 -3.947 1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.104 0.377 0.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.914 -2.508 -0.652 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.774 -0.376 -1.112 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.958 -5.596 3.501 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.264 -5.864 2.911 1.00 0.00 C ATOM 1913 C GLN A 124 -5.318 -6.074 3.993 1.00 0.00 C ATOM 1914 O GLN A 124 -6.466 -5.656 3.844 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.195 -7.095 2.004 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.343 -6.888 0.762 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.570 -8.132 0.371 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.739 -8.663 -0.727 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.714 -8.605 1.270 1.00 0.00 N ATOM 0 H GLN A 124 -2.263 -6.323 3.335 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.549 -4.997 2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.795 -7.934 2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.205 -7.369 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.983 -6.587 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.644 -6.071 0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.605 -8.134 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.166 -9.440 1.062 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.920 -6.724 5.082 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.831 -6.990 6.188 1.00 0.00 C ATOM 1930 C ARG A 125 -6.655 -5.751 6.524 1.00 0.00 C ATOM 1931 O ARG A 125 -7.753 -5.853 7.073 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.049 -7.445 7.422 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.820 -8.946 7.478 1.00 0.00 C ATOM 1934 CD ARG A 125 -6.012 -9.669 8.086 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.646 -10.982 8.611 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.532 -11.881 9.025 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -7.829 -11.610 8.976 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -6.122 -13.054 9.489 1.00 0.00 N ATOM 0 H ARG A 125 -3.973 -7.076 5.222 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.511 -7.785 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.084 -6.938 7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.587 -7.134 8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.637 -9.325 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.927 -9.157 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.433 -9.063 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -6.790 -9.784 7.331 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.656 -11.222 8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.149 -10.709 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.507 -12.302 9.295 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.125 -13.267 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.804 -13.743 9.807 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.120 -4.582 6.190 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.804 -3.323 6.459 1.00 0.00 C ATOM 1954 C TYR A 126 -7.114 -2.583 5.161 1.00 0.00 C ATOM 1955 O TYR A 126 -8.208 -2.047 4.984 1.00 0.00 O ATOM 1956 CB TYR A 126 -5.952 -2.439 7.371 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.143 -3.217 8.385 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.650 -4.371 8.969 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -3.872 -2.799 8.757 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -4.915 -5.085 9.896 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.129 -3.507 9.682 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.655 -4.649 10.249 1.00 0.00 C ATOM 1963 OH TYR A 126 -2.919 -5.358 11.170 1.00 0.00 O ATOM 0 H TYR A 126 -5.214 -4.480 5.732 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.745 -3.551 6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.275 -1.844 6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.603 -1.740 7.897 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.636 -4.716 8.694 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.457 -1.905 8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.325 -5.979 10.342 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.142 -3.168 9.960 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.054 -4.918 11.306 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.142 -2.560 4.255 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.308 -1.885 2.973 1.00 0.00 C ATOM 1975 C TYR A 127 -7.498 -2.456 2.208 1.00 0.00 C ATOM 1976 O TYR A 127 -8.498 -1.771 1.991 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.036 -2.019 2.134 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.182 -0.771 2.127 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.842 -0.131 3.312 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.714 -0.233 0.934 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.063 1.010 3.310 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.933 0.906 0.922 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.610 1.524 2.112 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.832 2.659 2.106 1.00 0.00 O ATOM 0 H TYR A 127 -5.231 -3.001 4.385 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.497 -0.829 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.445 -2.852 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.311 -2.267 1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.193 -0.532 4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.965 -0.714 0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.810 1.497 4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.577 1.311 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.198 2.625 2.852 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.383 -3.716 1.801 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.448 -4.380 1.059 1.00 0.00 C ATOM 1996 C PHE A 128 -9.380 -5.133 2.004 1.00 0.00 C ATOM 1997 O PHE A 128 -10.539 -4.758 2.177 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.856 -5.346 0.031 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.645 -4.805 -0.672 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.408 -3.440 -0.722 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.743 -5.660 -1.285 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.294 -2.939 -1.368 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.627 -5.164 -1.932 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.403 -3.802 -1.975 1.00 0.00 C ATOM 0 H PHE A 128 -6.563 -4.298 1.973 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.026 -3.616 0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.590 -6.278 0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.618 -5.588 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.102 -2.760 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.914 -6.726 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.120 -1.873 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.930 -5.841 -2.404 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.533 -3.413 -2.482 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.865 -6.198 2.610 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.652 -7.005 3.536 1.00 0.00 C ATOM 2016 C GLU A 129 -10.639 -6.136 4.311 1.00 0.00 C ATOM 2017 O GLU A 129 -11.751 -6.563 4.617 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.733 -7.746 4.509 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.739 -8.669 3.825 1.00 0.00 C ATOM 2020 CD GLU A 129 -7.304 -9.819 4.713 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -8.146 -10.322 5.486 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -6.123 -10.215 4.635 1.00 0.00 O ATOM 0 H GLU A 129 -7.907 -6.522 2.477 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.216 -7.734 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.187 -7.016 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.343 -8.330 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.186 -9.067 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.862 -8.095 3.525 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.221 -4.914 4.626 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.079 -4.004 5.364 1.00 0.00 C ATOM 2031 C GLY A 130 -12.214 -3.463 4.517 1.00 0.00 C ATOM 2032 O GLY A 130 -13.379 -3.540 4.908 1.00 0.00 O ATOM 0 H GLY A 130 -9.304 -4.538 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.491 -4.520 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.483 -3.173 5.741 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.874 -2.913 3.357 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.874 -2.357 2.454 1.00 0.00 C ATOM 2038 C ILE A 131 -13.735 -3.456 1.842 1.00 0.00 C ATOM 2039 O ILE A 131 -14.964 -3.376 1.851 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.219 -1.543 1.322 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.268 -0.494 1.902 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.285 -0.881 0.461 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.275 0.043 0.895 1.00 0.00 C ATOM 0 H ILE A 131 -10.914 -2.840 3.020 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.504 -1.696 3.049 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.641 -2.221 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.853 0.335 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.724 -0.932 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.807 -0.309 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.926 -1.646 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.887 -0.213 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.633 0.782 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.664 -0.776 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.811 0.510 0.069 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.082 -4.485 1.312 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.787 -5.605 0.699 1.00 0.00 C ATOM 2057 C LYS A 132 -15.020 -5.984 1.513 1.00 0.00 C ATOM 2058 O LYS A 132 -16.050 -6.362 0.956 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.855 -6.812 0.571 1.00 0.00 C ATOM 2060 CG LYS A 132 -11.842 -6.682 -0.553 1.00 0.00 C ATOM 2061 CD LYS A 132 -10.905 -7.878 -0.600 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.364 -8.906 -1.622 1.00 0.00 C ATOM 2063 NZ LYS A 132 -12.274 -9.919 -1.019 1.00 0.00 N ATOM 0 H LYS A 132 -12.065 -4.567 1.295 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.111 -5.297 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.324 -6.952 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.454 -7.707 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.364 -6.590 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.262 -5.769 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -9.898 -7.543 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -10.854 -8.341 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.875 -8.400 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.495 -9.407 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -12.993 -10.198 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -11.724 -10.755 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -12.741 -9.512 -0.184 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.906 -5.880 2.833 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.012 -6.212 3.723 1.00 0.00 C ATOM 2079 C GLN A 133 -16.775 -4.958 4.135 1.00 0.00 C ATOM 2080 O GLN A 133 -17.996 -4.884 3.991 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.495 -6.940 4.965 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.821 -8.267 4.657 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.943 -9.262 5.794 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.377 -9.064 6.870 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.685 -10.339 5.563 1.00 0.00 N ATOM 0 H GLN A 133 -14.060 -5.569 3.309 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.694 -6.869 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.787 -6.295 5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.328 -7.115 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.263 -8.694 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.766 -8.093 4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.136 -10.463 4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.804 -11.042 6.292 1.00 0.00 H new ATOM 2094 N THR A 134 -16.048 -3.971 4.648 1.00 0.00 N ATOM 2095 CA THR A 134 -16.656 -2.719 5.083 1.00 0.00 C ATOM 2096 C THR A 134 -17.553 -2.138 3.996 1.00 0.00 C ATOM 2097 O THR A 134 -18.729 -1.859 4.232 1.00 0.00 O ATOM 2098 CB THR A 134 -15.587 -1.677 5.461 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.789 -2.165 6.546 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.233 -0.357 5.854 1.00 0.00 C ATOM 0 H THR A 134 -15.037 -4.014 4.773 1.00 0.00 H new ATOM 0 HA THR A 134 -17.257 -2.948 5.963 1.00 0.00 H new ATOM 0 HB THR A 134 -14.952 -1.508 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 134 -13.941 -2.513 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.458 0.363 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.816 0.026 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 134 -16.889 -0.514 6.711 1.00 0.00 H new ATOM 2108 N PHE A 135 -16.992 -1.958 2.805 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.742 -1.409 1.682 1.00 0.00 C ATOM 2110 C PHE A 135 -18.380 -2.524 0.857 1.00 0.00 C ATOM 2111 O PHE A 135 -19.313 -2.288 0.091 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.827 -0.563 0.795 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.374 0.713 1.445 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.683 0.687 2.646 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.639 1.939 0.856 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.266 1.859 3.247 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.224 3.115 1.452 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.536 3.075 2.649 1.00 0.00 C ATOM 0 H PHE A 135 -16.020 -2.184 2.593 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.535 -0.777 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -15.952 -1.153 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.351 -0.324 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.468 -0.260 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.176 1.976 -0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.729 1.825 4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.437 4.064 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.210 3.992 3.117 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.868 -3.740 1.021 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.398 -4.873 0.285 1.00 0.00 C ATOM 2130 C GLY A 136 -17.846 -4.960 -1.123 1.00 0.00 C ATOM 2131 O GLY A 136 -18.591 -5.183 -2.078 1.00 0.00 O ATOM 0 H GLY A 136 -17.096 -3.961 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.163 -5.792 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.485 -4.798 0.242 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.536 -4.782 -1.255 1.00 0.00 N ATOM 2136 CA TYR A 137 -15.884 -4.837 -2.558 1.00 0.00 C ATOM 2137 C TYR A 137 -15.136 -6.154 -2.737 1.00 0.00 C ATOM 2138 O TYR A 137 -14.320 -6.299 -3.647 1.00 0.00 O ATOM 2139 CB TYR A 137 -14.918 -3.662 -2.719 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.591 -2.310 -2.651 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -16.976 -2.200 -2.680 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -14.843 -1.143 -2.559 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.596 -0.967 -2.619 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.455 0.094 -2.496 1.00 0.00 C ATOM 2145 CZ TYR A 137 -16.831 0.177 -2.527 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.444 1.407 -2.466 1.00 0.00 O ATOM 0 H TYR A 137 -15.905 -4.598 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.655 -4.771 -3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.157 -3.719 -1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.403 -3.754 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.578 -3.094 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -13.765 -1.204 -2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.674 -0.899 -2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -14.859 0.991 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 137 -16.798 2.080 -2.166 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.420 -7.113 -1.862 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.767 -8.407 -1.940 1.00 0.00 C ATOM 2158 C GLY A 138 -15.652 -9.467 -2.565 1.00 0.00 C ATOM 2159 O GLY A 138 -16.876 -9.335 -2.576 1.00 0.00 O ATOM 0 H GLY A 138 -16.091 -7.017 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.851 -8.313 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.477 -8.725 -0.939 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.033 -10.520 -3.088 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.773 -11.607 -3.717 1.00 0.00 C ATOM 2165 C ALA A 139 -15.659 -12.891 -2.904 1.00 0.00 C ATOM 2166 O ALA A 139 -14.923 -13.807 -3.273 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.273 -11.832 -5.137 1.00 0.00 C ATOM 0 H ALA A 139 -14.021 -10.643 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.825 -11.324 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.834 -12.646 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.413 -10.922 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.214 -12.089 -5.113 1.00 0.00 H new ATOM 2173 N SER A 140 -16.391 -12.952 -1.796 1.00 0.00 N ATOM 2174 CA SER A 140 -16.368 -14.124 -0.928 1.00 0.00 C ATOM 2175 C SER A 140 -16.328 -15.408 -1.750 1.00 0.00 C ATOM 2176 O SER A 140 -16.969 -15.509 -2.796 1.00 0.00 O ATOM 2177 CB SER A 140 -17.593 -14.129 -0.011 1.00 0.00 C ATOM 2178 OG SER A 140 -18.791 -14.034 -0.761 1.00 0.00 O ATOM 0 H SER A 140 -17.007 -12.204 -1.478 1.00 0.00 H new ATOM 0 HA SER A 140 -15.466 -14.076 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 140 -17.603 -15.043 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 140 -17.531 -13.295 0.689 1.00 0.00 H new ATOM 0 HG SER A 140 -19.559 -14.041 -0.153 1.00 0.00 H new ATOM 2184 N GLY A 141 -15.571 -16.389 -1.269 1.00 0.00 N ATOM 2185 CA GLY A 141 -15.460 -17.654 -1.970 1.00 0.00 C ATOM 2186 C GLY A 141 -15.345 -18.833 -1.025 1.00 0.00 C ATOM 2187 O GLY A 141 -15.235 -18.673 0.191 1.00 0.00 O ATOM 0 H GLY A 141 -15.032 -16.330 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -16.332 -17.789 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -14.587 -17.629 -2.622 1.00 0.00 H new ATOM 2191 N PRO A 142 -15.372 -20.051 -1.586 1.00 0.00 N ATOM 2192 CA PRO A 142 -15.272 -21.286 -0.802 1.00 0.00 C ATOM 2193 C PRO A 142 -14.147 -21.231 0.226 1.00 0.00 C ATOM 2194 O PRO A 142 -14.346 -21.558 1.396 1.00 0.00 O ATOM 2195 CB PRO A 142 -14.979 -22.354 -1.859 1.00 0.00 C ATOM 2196 CG PRO A 142 -15.587 -21.825 -3.112 1.00 0.00 C ATOM 2197 CD PRO A 142 -15.501 -20.317 -3.029 1.00 0.00 C ATOM 0 HA PRO A 142 -16.176 -21.476 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -13.907 -22.512 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -15.414 -23.314 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -15.055 -22.196 -3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -16.623 -22.150 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -14.645 -19.934 -3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -16.389 -19.842 -3.445 1.00 0.00 H new ATOM 2205 N SER A 143 -12.965 -20.815 -0.219 1.00 0.00 N ATOM 2206 CA SER A 143 -11.807 -20.720 0.662 1.00 0.00 C ATOM 2207 C SER A 143 -11.215 -19.314 0.632 1.00 0.00 C ATOM 2208 O SER A 143 -11.598 -18.485 -0.193 1.00 0.00 O ATOM 2209 CB SER A 143 -10.745 -21.743 0.255 1.00 0.00 C ATOM 2210 OG SER A 143 -9.966 -22.141 1.370 1.00 0.00 O ATOM 0 H SER A 143 -12.785 -20.539 -1.184 1.00 0.00 H new ATOM 0 HA SER A 143 -12.136 -20.934 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 143 -11.227 -22.616 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 143 -10.098 -21.315 -0.511 1.00 0.00 H new ATOM 0 HG SER A 143 -9.296 -22.796 1.084 1.00 0.00 H new ATOM 2216 N SER A 144 -10.277 -19.054 1.537 1.00 0.00 N ATOM 2217 CA SER A 144 -9.633 -17.748 1.617 1.00 0.00 C ATOM 2218 C SER A 144 -8.298 -17.755 0.879 1.00 0.00 C ATOM 2219 O SER A 144 -7.246 -17.975 1.478 1.00 0.00 O ATOM 2220 CB SER A 144 -9.419 -17.351 3.079 1.00 0.00 C ATOM 2221 OG SER A 144 -8.875 -16.046 3.178 1.00 0.00 O ATOM 0 H SER A 144 -9.946 -19.730 2.225 1.00 0.00 H new ATOM 0 HA SER A 144 -10.287 -17.017 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 144 -10.368 -17.395 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 144 -8.750 -18.065 3.559 1.00 0.00 H new ATOM 0 HG SER A 144 -8.749 -15.815 4.122 1.00 0.00 H new ATOM 2227 N GLY A 145 -8.350 -17.512 -0.427 1.00 0.00 N ATOM 2228 CA GLY A 145 -7.139 -17.494 -1.227 1.00 0.00 C ATOM 2229 C GLY A 145 -7.424 -17.328 -2.706 1.00 0.00 C ATOM 2230 O GLY A 145 -8.163 -16.428 -3.106 1.00 0.00 O ATOM 0 H GLY A 145 -9.209 -17.327 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -6.497 -16.680 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -6.588 -18.421 -1.068 1.00 0.00 H new TER 2234 GLY A 145