USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 980 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 Single : A 1 GLY N :NH3+ -113:sc= 0.0964 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 161:sc= -0.0973 (180deg=-0.559) USER MOD Single : A 6 SER OG : rot 57:sc= 0.024 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 174:sc= 0.905 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 48 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.1!) USER MOD Single : A 55 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4!) USER MOD Single : A 58 HIS : no HE2:sc= 0.59 K(o=0.59,f=-3.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= 0.902 K(o=0.9,f=-4.7!) USER MOD Single : A 67 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.04) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.427! C(o=-0.43!,f=-5.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00674 USER MOD Single : A 81 MET CE :methyl -160:sc= -0.226 (180deg=-0.814) USER MOD Single : A 92 TYR OH : rot 30:sc= 0.446 USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0236) USER MOD Single : A 105 ASN :FLIP amide:sc= 0.767 F(o=0,f=0.77) USER MOD Single : A 113 SER OG : rot 77:sc= 1.24 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.485 K(o=0.48,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.152 -5.835 3.305 1.00 9.84 N ATOM 2 CA GLY A 1 -25.502 -5.313 4.529 1.00 9.33 C ATOM 3 C GLY A 1 -24.018 -5.107 4.333 1.00 8.55 C ATOM 4 O GLY A 1 -23.490 -5.370 3.254 1.00 8.34 O ATOM 0 H1 GLY A 1 -26.796 -5.115 2.920 1.00 9.84 H new ATOM 0 H2 GLY A 1 -25.426 -6.064 2.597 1.00 9.84 H new ATOM 0 H3 GLY A 1 -26.691 -6.693 3.537 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -25.966 -4.368 4.812 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -25.667 -6.008 5.352 1.00 9.33 H new ATOM 10 N ALA A 2 -23.339 -4.646 5.371 1.00 8.39 N ATOM 11 CA ALA A 2 -21.916 -4.361 5.277 1.00 7.95 C ATOM 12 C ALA A 2 -21.160 -4.916 6.479 1.00 7.24 C ATOM 13 O ALA A 2 -20.001 -4.572 6.712 1.00 7.25 O ATOM 14 CB ALA A 2 -21.699 -2.861 5.153 1.00 8.62 C ATOM 0 H ALA A 2 -23.749 -4.461 6.287 1.00 8.39 H new ATOM 0 HA ALA A 2 -21.524 -4.853 4.387 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -20.631 -2.652 5.083 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -22.200 -2.494 4.257 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -22.110 -2.360 6.030 1.00 8.62 H new ATOM 20 N MET A 3 -21.817 -5.778 7.242 1.00 6.97 N ATOM 21 CA MET A 3 -21.201 -6.368 8.422 1.00 6.66 C ATOM 22 C MET A 3 -21.417 -7.877 8.428 1.00 5.89 C ATOM 23 O MET A 3 -22.477 -8.362 8.031 1.00 5.94 O ATOM 24 CB MET A 3 -21.787 -5.746 9.695 1.00 7.35 C ATOM 25 CG MET A 3 -21.050 -6.141 10.968 1.00 8.09 C ATOM 26 SD MET A 3 -19.305 -5.689 10.923 1.00 8.78 S ATOM 27 CE MET A 3 -18.774 -6.235 12.545 1.00 9.31 C ATOM 0 H MET A 3 -22.774 -6.084 7.066 1.00 6.97 H new ATOM 0 HA MET A 3 -20.130 -6.166 8.395 1.00 6.66 H new ATOM 0 HB2 MET A 3 -21.770 -4.660 9.599 1.00 7.35 H new ATOM 0 HB3 MET A 3 -22.832 -6.042 9.785 1.00 7.35 H new ATOM 0 HG2 MET A 3 -21.525 -5.660 11.823 1.00 8.09 H new ATOM 0 HG3 MET A 3 -21.140 -7.217 11.117 1.00 8.09 H new ATOM 0 HE1 MET A 3 -17.712 -6.024 12.670 1.00 9.31 H new ATOM 0 HE2 MET A 3 -19.342 -5.707 13.311 1.00 9.31 H new ATOM 0 HE3 MET A 3 -18.945 -7.307 12.642 1.00 9.31 H new ATOM 37 N GLY A 4 -20.404 -8.612 8.859 1.00 5.55 N ATOM 38 CA GLY A 4 -20.494 -10.058 8.892 1.00 5.17 C ATOM 39 C GLY A 4 -19.850 -10.682 7.675 1.00 4.35 C ATOM 40 O GLY A 4 -18.984 -11.552 7.789 1.00 4.64 O ATOM 0 H GLY A 4 -19.517 -8.232 9.188 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -20.010 -10.433 9.794 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -21.541 -10.357 8.944 1.00 5.17 H new ATOM 44 N MET A 5 -20.268 -10.229 6.503 1.00 3.80 N ATOM 45 CA MET A 5 -19.688 -10.687 5.253 1.00 3.46 C ATOM 46 C MET A 5 -19.715 -9.560 4.227 1.00 2.69 C ATOM 47 O MET A 5 -20.786 -9.128 3.794 1.00 3.15 O ATOM 48 CB MET A 5 -20.446 -11.908 4.716 1.00 4.10 C ATOM 49 CG MET A 5 -19.761 -12.584 3.534 1.00 4.56 C ATOM 50 SD MET A 5 -20.742 -13.924 2.823 1.00 5.55 S ATOM 51 CE MET A 5 -22.128 -13.015 2.141 1.00 6.19 C ATOM 0 H MET A 5 -21.012 -9.540 6.393 1.00 3.80 H new ATOM 0 HA MET A 5 -18.655 -10.981 5.437 1.00 3.46 H new ATOM 0 HB2 MET A 5 -20.563 -12.634 5.520 1.00 4.10 H new ATOM 0 HB3 MET A 5 -21.448 -11.600 4.416 1.00 4.10 H new ATOM 0 HG2 MET A 5 -19.560 -11.840 2.763 1.00 4.56 H new ATOM 0 HG3 MET A 5 -18.797 -12.978 3.856 1.00 4.56 H new ATOM 0 HE1 MET A 5 -22.635 -13.629 1.396 1.00 6.19 H new ATOM 0 HE2 MET A 5 -22.826 -12.763 2.939 1.00 6.19 H new ATOM 0 HE3 MET A 5 -21.767 -12.100 1.672 1.00 6.19 H new ATOM 61 N SER A 6 -18.542 -9.075 3.854 1.00 2.04 N ATOM 62 CA SER A 6 -18.432 -7.989 2.891 1.00 1.62 C ATOM 63 C SER A 6 -17.421 -8.332 1.794 1.00 1.22 C ATOM 64 O SER A 6 -16.325 -7.771 1.747 1.00 1.33 O ATOM 65 CB SER A 6 -18.029 -6.699 3.611 1.00 2.15 C ATOM 66 OG SER A 6 -16.951 -6.931 4.505 1.00 2.78 O ATOM 0 H SER A 6 -17.648 -9.418 4.205 1.00 2.04 H new ATOM 0 HA SER A 6 -19.402 -7.843 2.416 1.00 1.62 H new ATOM 0 HB2 SER A 6 -17.743 -5.944 2.879 1.00 2.15 H new ATOM 0 HB3 SER A 6 -18.883 -6.303 4.160 1.00 2.15 H new ATOM 0 HG SER A 6 -16.196 -7.318 4.014 1.00 2.78 H new ATOM 72 N PRO A 7 -17.779 -9.252 0.885 1.00 1.00 N ATOM 73 CA PRO A 7 -16.866 -9.726 -0.145 1.00 0.92 C ATOM 74 C PRO A 7 -16.843 -8.824 -1.378 1.00 0.83 C ATOM 75 O PRO A 7 -15.858 -8.788 -2.111 1.00 0.81 O ATOM 76 CB PRO A 7 -17.429 -11.103 -0.488 1.00 1.15 C ATOM 77 CG PRO A 7 -18.897 -11.007 -0.223 1.00 1.35 C ATOM 78 CD PRO A 7 -19.102 -9.894 0.782 1.00 1.22 C ATOM 0 HA PRO A 7 -15.831 -9.741 0.197 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -17.233 -11.360 -1.529 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -16.969 -11.879 0.123 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -19.441 -10.798 -1.144 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -19.280 -11.951 0.166 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -19.862 -9.189 0.446 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -19.432 -10.283 1.745 1.00 1.22 H new ATOM 86 N ASP A 8 -17.918 -8.069 -1.577 1.00 0.81 N ATOM 87 CA ASP A 8 -18.048 -7.227 -2.764 1.00 0.80 C ATOM 88 C ASP A 8 -17.249 -5.944 -2.602 1.00 0.67 C ATOM 89 O ASP A 8 -16.607 -5.481 -3.542 1.00 0.67 O ATOM 90 CB ASP A 8 -19.514 -6.896 -3.049 1.00 0.91 C ATOM 91 CG ASP A 8 -19.672 -6.002 -4.266 1.00 1.50 C ATOM 92 OD1 ASP A 8 -19.643 -6.520 -5.399 1.00 2.18 O ATOM 93 OD2 ASP A 8 -19.819 -4.776 -4.100 1.00 2.05 O ATOM 0 H ASP A 8 -18.710 -8.022 -0.936 1.00 0.81 H new ATOM 0 HA ASP A 8 -17.651 -7.787 -3.611 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.070 -7.820 -3.204 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -19.950 -6.404 -2.179 1.00 0.91 H new ATOM 98 N THR A 9 -17.275 -5.378 -1.405 1.00 0.62 N ATOM 99 CA THR A 9 -16.512 -4.177 -1.119 1.00 0.58 C ATOM 100 C THR A 9 -15.020 -4.481 -1.162 1.00 0.49 C ATOM 101 O THR A 9 -14.235 -3.723 -1.738 1.00 0.46 O ATOM 102 CB THR A 9 -16.894 -3.592 0.250 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.286 -3.249 0.252 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.059 -2.362 0.573 1.00 0.72 C ATOM 0 H THR A 9 -17.817 -5.733 -0.617 1.00 0.62 H new ATOM 0 HA THR A 9 -16.747 -3.435 -1.882 1.00 0.58 H new ATOM 0 HB THR A 9 -16.698 -4.345 1.014 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.530 -2.878 1.125 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.351 -1.970 1.547 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.004 -2.634 0.593 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.223 -1.600 -0.189 1.00 0.72 H new ATOM 112 N ALA A 10 -14.639 -5.607 -0.568 1.00 0.51 N ATOM 113 CA ALA A 10 -13.259 -6.057 -0.602 1.00 0.50 C ATOM 114 C ALA A 10 -12.823 -6.333 -2.036 1.00 0.48 C ATOM 115 O ALA A 10 -11.689 -6.041 -2.423 1.00 0.45 O ATOM 116 CB ALA A 10 -13.091 -7.299 0.254 1.00 0.60 C ATOM 0 H ALA A 10 -15.271 -6.223 -0.057 1.00 0.51 H new ATOM 0 HA ALA A 10 -12.625 -5.268 -0.197 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.052 -7.626 0.220 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.366 -7.071 1.284 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -13.734 -8.093 -0.126 1.00 0.60 H new ATOM 122 N ARG A 11 -13.740 -6.888 -2.822 1.00 0.54 N ATOM 123 CA ARG A 11 -13.478 -7.168 -4.226 1.00 0.59 C ATOM 124 C ARG A 11 -13.311 -5.869 -5.005 1.00 0.52 C ATOM 125 O ARG A 11 -12.451 -5.763 -5.880 1.00 0.52 O ATOM 126 CB ARG A 11 -14.616 -7.992 -4.831 1.00 0.74 C ATOM 127 CG ARG A 11 -14.375 -8.396 -6.274 1.00 1.02 C ATOM 128 CD ARG A 11 -15.564 -9.144 -6.846 1.00 1.21 C ATOM 129 NE ARG A 11 -15.308 -9.615 -8.203 1.00 1.97 N ATOM 130 CZ ARG A 11 -16.245 -10.119 -9.003 1.00 2.53 C ATOM 131 NH1 ARG A 11 -17.508 -10.180 -8.599 1.00 2.44 N ATOM 132 NH2 ARG A 11 -15.916 -10.550 -10.212 1.00 3.56 N ATOM 0 H ARG A 11 -14.673 -7.153 -2.507 1.00 0.54 H new ATOM 0 HA ARG A 11 -12.554 -7.742 -4.292 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -14.762 -8.890 -4.231 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.540 -7.417 -4.773 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.179 -7.507 -6.874 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -13.486 -9.023 -6.334 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -15.801 -9.993 -6.205 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.437 -8.492 -6.847 1.00 1.21 H new ATOM 0 HE ARG A 11 -14.354 -9.554 -8.560 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -17.764 -9.840 -7.672 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -18.223 -10.567 -9.216 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -14.947 -10.495 -10.527 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -16.631 -10.937 -10.828 1.00 3.56 H new ATOM 146 N ARG A 12 -14.136 -4.877 -4.680 1.00 0.51 N ATOM 147 CA ARG A 12 -14.067 -3.586 -5.341 1.00 0.51 C ATOM 148 C ARG A 12 -12.722 -2.927 -5.083 1.00 0.42 C ATOM 149 O ARG A 12 -12.124 -2.351 -5.985 1.00 0.41 O ATOM 150 CB ARG A 12 -15.188 -2.660 -4.874 1.00 0.57 C ATOM 151 CG ARG A 12 -15.264 -1.380 -5.688 1.00 1.31 C ATOM 152 CD ARG A 12 -16.373 -0.453 -5.223 1.00 1.38 C ATOM 153 NE ARG A 12 -16.428 0.751 -6.047 1.00 2.05 N ATOM 154 CZ ARG A 12 -17.298 1.740 -5.877 1.00 2.50 C ATOM 155 NH1 ARG A 12 -18.220 1.670 -4.924 1.00 2.39 N ATOM 156 NH2 ARG A 12 -17.248 2.799 -6.673 1.00 3.49 N ATOM 0 H ARG A 12 -14.858 -4.947 -3.963 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.186 -3.759 -6.411 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.140 -3.186 -4.941 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.035 -2.410 -3.824 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -14.309 -0.857 -5.625 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -15.422 -1.631 -6.737 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.330 -0.973 -5.269 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -16.209 -0.178 -4.181 1.00 1.38 H new ATOM 0 HE ARG A 12 -15.752 0.839 -6.805 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -18.264 0.852 -4.316 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -18.884 2.434 -4.800 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -16.545 2.850 -7.410 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -17.913 3.562 -6.548 1.00 3.49 H new ATOM 170 N PHE A 13 -12.243 -3.023 -3.850 1.00 0.40 N ATOM 171 CA PHE A 13 -10.942 -2.470 -3.513 1.00 0.37 C ATOM 172 C PHE A 13 -9.864 -3.174 -4.326 1.00 0.33 C ATOM 173 O PHE A 13 -8.986 -2.530 -4.892 1.00 0.33 O ATOM 174 CB PHE A 13 -10.659 -2.604 -2.009 1.00 0.41 C ATOM 175 CG PHE A 13 -9.383 -1.936 -1.572 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.354 -0.576 -1.305 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.215 -2.666 -1.422 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.186 0.041 -0.898 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.045 -2.055 -1.017 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.020 -0.701 -0.781 1.00 0.50 C ATOM 0 H PHE A 13 -12.731 -3.474 -3.076 1.00 0.40 H new ATOM 0 HA PHE A 13 -10.938 -1.408 -3.757 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -11.492 -2.176 -1.452 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -10.612 -3.662 -1.750 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.255 0.009 -1.416 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.220 -3.727 -1.625 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.181 1.097 -0.672 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.148 -2.642 -0.885 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.095 -0.216 -0.505 1.00 0.50 H new ATOM 190 N ASP A 14 -9.978 -4.493 -4.412 1.00 0.35 N ATOM 191 CA ASP A 14 -9.030 -5.329 -5.150 1.00 0.37 C ATOM 192 C ASP A 14 -8.911 -4.921 -6.618 1.00 0.34 C ATOM 193 O ASP A 14 -7.817 -4.926 -7.185 1.00 0.37 O ATOM 194 CB ASP A 14 -9.466 -6.795 -5.051 1.00 0.47 C ATOM 195 CG ASP A 14 -8.736 -7.710 -6.015 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.655 -8.224 -5.655 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.216 -7.895 -7.151 1.00 0.65 O ATOM 0 H ASP A 14 -10.733 -5.019 -3.971 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.047 -5.193 -4.699 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.301 -7.147 -4.033 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.537 -6.861 -5.241 1.00 0.47 H new ATOM 202 N THR A 15 -10.026 -4.551 -7.230 1.00 0.33 N ATOM 203 CA THR A 15 -10.042 -4.323 -8.667 1.00 0.34 C ATOM 204 C THR A 15 -10.051 -2.829 -9.032 1.00 0.33 C ATOM 205 O THR A 15 -9.423 -2.425 -10.009 1.00 0.37 O ATOM 206 CB THR A 15 -11.235 -5.052 -9.341 1.00 0.39 C ATOM 207 OG1 THR A 15 -11.102 -5.016 -10.769 1.00 1.51 O ATOM 208 CG2 THR A 15 -12.573 -4.440 -8.945 1.00 1.34 C ATOM 0 H THR A 15 -10.920 -4.404 -6.762 1.00 0.33 H new ATOM 0 HA THR A 15 -9.113 -4.743 -9.052 1.00 0.34 H new ATOM 0 HB THR A 15 -11.216 -6.085 -8.994 1.00 0.39 H new ATOM 0 HG1 THR A 15 -11.861 -5.481 -11.180 1.00 1.51 H new ATOM 0 HG21 THR A 15 -13.381 -4.980 -9.439 1.00 1.34 H new ATOM 0 HG22 THR A 15 -12.699 -4.508 -7.864 1.00 1.34 H new ATOM 0 HG23 THR A 15 -12.598 -3.393 -9.248 1.00 1.34 H new ATOM 216 N GLU A 16 -10.746 -2.010 -8.252 1.00 0.33 N ATOM 217 CA GLU A 16 -10.932 -0.607 -8.606 1.00 0.39 C ATOM 218 C GLU A 16 -9.873 0.300 -7.975 1.00 0.37 C ATOM 219 O GLU A 16 -9.318 1.166 -8.648 1.00 0.46 O ATOM 220 CB GLU A 16 -12.334 -0.148 -8.183 1.00 0.48 C ATOM 221 CG GLU A 16 -12.707 1.250 -8.658 1.00 0.60 C ATOM 222 CD GLU A 16 -14.126 1.635 -8.283 1.00 1.15 C ATOM 223 OE1 GLU A 16 -15.026 0.773 -8.372 1.00 1.27 O ATOM 224 OE2 GLU A 16 -14.352 2.798 -7.889 1.00 1.81 O ATOM 0 H GLU A 16 -11.188 -2.290 -7.376 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.823 -0.526 -9.687 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.067 -0.857 -8.568 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.401 -0.179 -7.095 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -12.013 1.973 -8.229 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -12.594 1.304 -9.741 1.00 0.60 H new ATOM 231 N PHE A 17 -9.573 0.092 -6.700 1.00 0.31 N ATOM 232 CA PHE A 17 -8.745 1.045 -5.963 1.00 0.32 C ATOM 233 C PHE A 17 -7.302 0.567 -5.790 1.00 0.30 C ATOM 234 O PHE A 17 -6.366 1.348 -5.966 1.00 0.33 O ATOM 235 CB PHE A 17 -9.364 1.345 -4.594 1.00 0.37 C ATOM 236 CG PHE A 17 -10.714 2.014 -4.670 1.00 0.42 C ATOM 237 CD1 PHE A 17 -10.819 3.373 -4.937 1.00 0.64 C ATOM 238 CD2 PHE A 17 -11.876 1.284 -4.480 1.00 0.43 C ATOM 239 CE1 PHE A 17 -12.054 3.987 -5.011 1.00 0.72 C ATOM 240 CE2 PHE A 17 -13.115 1.894 -4.552 1.00 0.48 C ATOM 241 CZ PHE A 17 -13.203 3.250 -4.803 1.00 0.57 C ATOM 0 H PHE A 17 -9.884 -0.715 -6.158 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.713 1.957 -6.559 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.462 0.413 -4.038 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.684 1.983 -4.030 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -9.923 3.957 -5.089 1.00 0.64 H new ATOM 0 HD2 PHE A 17 -11.813 0.226 -4.273 1.00 0.43 H new ATOM 0 HE1 PHE A 17 -12.121 5.042 -5.231 1.00 0.72 H new ATOM 0 HE2 PHE A 17 -14.013 1.311 -4.412 1.00 0.48 H new ATOM 0 HZ PHE A 17 -14.169 3.732 -4.836 1.00 0.57 H new ATOM 251 N ALA A 18 -7.124 -0.702 -5.439 1.00 0.29 N ATOM 252 CA ALA A 18 -5.793 -1.254 -5.175 1.00 0.30 C ATOM 253 C ALA A 18 -4.801 -1.010 -6.322 1.00 0.29 C ATOM 254 O ALA A 18 -3.683 -0.561 -6.068 1.00 0.30 O ATOM 255 CB ALA A 18 -5.872 -2.736 -4.834 1.00 0.32 C ATOM 0 H ALA A 18 -7.885 -1.372 -5.330 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.406 -0.716 -4.310 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -4.870 -3.119 -4.643 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.488 -2.873 -3.945 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.315 -3.278 -5.669 1.00 0.32 H new ATOM 261 N PRO A 19 -5.167 -1.291 -7.599 1.00 0.30 N ATOM 262 CA PRO A 19 -4.274 -1.029 -8.737 1.00 0.32 C ATOM 263 C PRO A 19 -3.859 0.439 -8.819 1.00 0.31 C ATOM 264 O PRO A 19 -2.750 0.757 -9.247 1.00 0.32 O ATOM 265 CB PRO A 19 -5.114 -1.416 -9.958 1.00 0.37 C ATOM 266 CG PRO A 19 -6.108 -2.384 -9.428 1.00 0.35 C ATOM 267 CD PRO A 19 -6.437 -1.901 -8.047 1.00 0.31 C ATOM 0 HA PRO A 19 -3.342 -1.588 -8.656 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.601 -0.546 -10.397 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.499 -1.865 -10.738 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -6.999 -2.416 -10.056 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -5.699 -3.394 -9.404 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.252 -1.177 -8.056 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.744 -2.719 -7.395 1.00 0.31 H new ATOM 275 N ARG A 20 -4.748 1.328 -8.382 1.00 0.32 N ATOM 276 CA ARG A 20 -4.478 2.762 -8.414 1.00 0.35 C ATOM 277 C ARG A 20 -3.384 3.106 -7.418 1.00 0.30 C ATOM 278 O ARG A 20 -2.506 3.919 -7.699 1.00 0.31 O ATOM 279 CB ARG A 20 -5.733 3.574 -8.084 1.00 0.43 C ATOM 280 CG ARG A 20 -6.895 3.336 -9.030 1.00 1.07 C ATOM 281 CD ARG A 20 -8.074 4.233 -8.694 1.00 1.40 C ATOM 282 NE ARG A 20 -9.252 3.902 -9.489 1.00 1.95 N ATOM 283 CZ ARG A 20 -10.329 4.675 -9.590 1.00 2.73 C ATOM 284 NH1 ARG A 20 -10.376 5.846 -8.963 1.00 3.15 N ATOM 285 NH2 ARG A 20 -11.355 4.281 -10.330 1.00 3.58 N ATOM 0 H ARG A 20 -5.661 1.080 -8.002 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.156 3.017 -9.424 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.051 3.334 -7.069 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.480 4.634 -8.097 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.575 3.521 -10.056 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -7.203 2.292 -8.976 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -8.312 4.138 -7.635 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -7.800 5.274 -8.867 1.00 1.40 H new ATOM 0 HE ARG A 20 -9.249 3.020 -10.001 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -9.583 6.156 -8.401 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -11.205 6.435 -9.044 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -11.317 3.387 -10.820 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -12.183 4.871 -10.410 1.00 3.58 H new ATOM 299 N ILE A 21 -3.444 2.470 -6.255 1.00 0.28 N ATOM 300 CA ILE A 21 -2.457 2.693 -5.209 1.00 0.28 C ATOM 301 C ILE A 21 -1.114 2.117 -5.628 1.00 0.24 C ATOM 302 O ILE A 21 -0.078 2.766 -5.499 1.00 0.25 O ATOM 303 CB ILE A 21 -2.887 2.048 -3.873 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.271 2.559 -3.456 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.860 2.346 -2.783 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.840 1.863 -2.234 1.00 0.38 C ATOM 0 H ILE A 21 -4.168 1.794 -6.013 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.374 3.770 -5.062 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.942 0.968 -4.011 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.208 3.629 -3.256 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -4.961 2.431 -4.290 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.178 1.885 -1.848 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.891 1.942 -3.076 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.777 3.424 -2.646 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.820 2.279 -2.002 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.937 0.796 -2.435 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.172 2.013 -1.386 1.00 0.38 H new ATOM 318 N ALA A 22 -1.152 0.899 -6.156 1.00 0.23 N ATOM 319 CA ALA A 22 0.053 0.199 -6.573 1.00 0.23 C ATOM 320 C ALA A 22 0.819 0.989 -7.627 1.00 0.24 C ATOM 321 O ALA A 22 2.044 1.108 -7.553 1.00 0.28 O ATOM 322 CB ALA A 22 -0.302 -1.184 -7.100 1.00 0.25 C ATOM 0 H ALA A 22 -2.013 0.374 -6.306 1.00 0.23 H new ATOM 0 HA ALA A 22 0.701 0.094 -5.703 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.607 -1.700 -7.410 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.795 -1.757 -6.315 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -0.973 -1.087 -7.954 1.00 0.25 H new ATOM 328 N ARG A 23 0.096 1.534 -8.599 1.00 0.27 N ATOM 329 CA ARG A 23 0.713 2.311 -9.667 1.00 0.34 C ATOM 330 C ARG A 23 1.255 3.634 -9.141 1.00 0.30 C ATOM 331 O ARG A 23 2.353 4.050 -9.510 1.00 0.31 O ATOM 332 CB ARG A 23 -0.284 2.572 -10.798 1.00 0.47 C ATOM 333 CG ARG A 23 -0.715 1.315 -11.535 1.00 1.16 C ATOM 334 CD ARG A 23 -1.604 1.643 -12.724 1.00 1.33 C ATOM 335 NE ARG A 23 -0.907 2.461 -13.717 1.00 1.85 N ATOM 336 CZ ARG A 23 -1.340 2.657 -14.962 1.00 2.38 C ATOM 337 NH1 ARG A 23 -2.473 2.099 -15.375 1.00 2.41 N ATOM 338 NH2 ARG A 23 -0.640 3.417 -15.795 1.00 3.36 N ATOM 0 H ARG A 23 -0.918 1.452 -8.669 1.00 0.27 H new ATOM 0 HA ARG A 23 1.545 1.726 -10.059 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.167 3.062 -10.387 1.00 0.47 H new ATOM 0 HB3 ARG A 23 0.162 3.265 -11.511 1.00 0.47 H new ATOM 0 HG2 ARG A 23 0.166 0.772 -11.877 1.00 1.16 H new ATOM 0 HG3 ARG A 23 -1.249 0.656 -10.851 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.944 0.718 -13.190 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -2.493 2.171 -12.378 1.00 1.33 H new ATOM 0 HE ARG A 23 -0.034 2.910 -13.439 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -3.017 1.517 -14.738 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -2.799 2.253 -16.329 1.00 2.41 H new ATOM 0 HH21 ARG A 23 0.229 3.851 -15.482 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -0.971 3.568 -16.748 1.00 3.36 H new ATOM 352 N ALA A 24 0.487 4.283 -8.273 1.00 0.29 N ATOM 353 CA ALA A 24 0.889 5.565 -7.712 1.00 0.31 C ATOM 354 C ALA A 24 2.173 5.427 -6.907 1.00 0.29 C ATOM 355 O ALA A 24 3.107 6.206 -7.076 1.00 0.31 O ATOM 356 CB ALA A 24 -0.219 6.138 -6.841 1.00 0.35 C ATOM 0 H ALA A 24 -0.416 3.942 -7.944 1.00 0.29 H new ATOM 0 HA ALA A 24 1.074 6.251 -8.538 1.00 0.31 H new ATOM 0 HB1 ALA A 24 0.100 7.096 -6.430 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.117 6.281 -7.442 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.435 5.448 -6.026 1.00 0.35 H new ATOM 362 N ILE A 25 2.221 4.413 -6.050 1.00 0.27 N ATOM 363 CA ILE A 25 3.399 4.154 -5.234 1.00 0.30 C ATOM 364 C ILE A 25 4.598 3.822 -6.115 1.00 0.30 C ATOM 365 O ILE A 25 5.704 4.318 -5.893 1.00 0.33 O ATOM 366 CB ILE A 25 3.159 2.992 -4.242 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.030 3.335 -3.262 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.439 2.665 -3.485 1.00 0.39 C ATOM 369 CD1 ILE A 25 2.316 4.544 -2.395 1.00 1.05 C ATOM 0 H ILE A 25 1.455 3.756 -5.903 1.00 0.27 H new ATOM 0 HA ILE A 25 3.603 5.061 -4.665 1.00 0.30 H new ATOM 0 HB ILE A 25 2.859 2.114 -4.814 1.00 0.33 H new ATOM 0 HG12 ILE A 25 1.114 3.513 -3.826 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.846 2.474 -2.619 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.252 1.845 -2.791 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.215 2.372 -4.192 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.767 3.543 -2.929 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.472 4.722 -1.729 1.00 1.05 H new ATOM 0 HD12 ILE A 25 3.213 4.363 -1.803 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.470 5.418 -3.028 1.00 1.05 H new ATOM 381 N ALA A 26 4.364 2.992 -7.125 1.00 0.31 N ATOM 382 CA ALA A 26 5.412 2.601 -8.056 1.00 0.36 C ATOM 383 C ALA A 26 5.992 3.820 -8.760 1.00 0.38 C ATOM 384 O ALA A 26 7.201 3.916 -8.965 1.00 0.40 O ATOM 385 CB ALA A 26 4.872 1.610 -9.076 1.00 0.42 C ATOM 0 H ALA A 26 3.453 2.576 -7.319 1.00 0.31 H new ATOM 0 HA ALA A 26 6.210 2.121 -7.489 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.668 1.327 -9.765 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.505 0.722 -8.561 1.00 0.42 H new ATOM 0 HB3 ALA A 26 4.056 2.070 -9.633 1.00 0.42 H new ATOM 391 N ASP A 27 5.122 4.754 -9.113 1.00 0.40 N ATOM 392 CA ASP A 27 5.536 5.965 -9.805 1.00 0.47 C ATOM 393 C ASP A 27 6.311 6.891 -8.876 1.00 0.45 C ATOM 394 O ASP A 27 7.266 7.543 -9.295 1.00 0.48 O ATOM 395 CB ASP A 27 4.324 6.697 -10.376 1.00 0.56 C ATOM 396 CG ASP A 27 4.715 7.928 -11.165 1.00 0.72 C ATOM 397 OD1 ASP A 27 5.082 7.784 -12.351 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.662 9.043 -10.606 1.00 0.80 O ATOM 0 H ASP A 27 4.120 4.696 -8.931 1.00 0.40 H new ATOM 0 HA ASP A 27 6.192 5.671 -10.624 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.763 6.019 -11.019 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.660 6.986 -9.561 1.00 0.56 H new ATOM 403 N LEU A 28 5.918 6.917 -7.607 1.00 0.42 N ATOM 404 CA LEU A 28 6.574 7.773 -6.623 1.00 0.46 C ATOM 405 C LEU A 28 8.011 7.321 -6.417 1.00 0.44 C ATOM 406 O LEU A 28 8.920 8.136 -6.271 1.00 0.49 O ATOM 407 CB LEU A 28 5.835 7.738 -5.279 1.00 0.49 C ATOM 408 CG LEU A 28 4.381 8.211 -5.306 1.00 0.90 C ATOM 409 CD1 LEU A 28 3.772 8.121 -3.916 1.00 1.69 C ATOM 410 CD2 LEU A 28 4.285 9.634 -5.837 1.00 1.44 C ATOM 0 H LEU A 28 5.151 6.357 -7.236 1.00 0.42 H new ATOM 0 HA LEU A 28 6.558 8.794 -7.003 1.00 0.46 H new ATOM 0 HB2 LEU A 28 5.858 6.716 -4.900 1.00 0.49 H new ATOM 0 HB3 LEU A 28 6.385 8.354 -4.568 1.00 0.49 H new ATOM 0 HG LEU A 28 3.821 7.559 -5.977 1.00 0.90 H new ATOM 0 HD11 LEU A 28 2.737 8.461 -3.950 1.00 1.69 H new ATOM 0 HD12 LEU A 28 3.804 7.087 -3.571 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.338 8.750 -3.229 1.00 1.69 H new ATOM 0 HD21 LEU A 28 3.242 9.949 -5.847 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.859 10.302 -5.195 1.00 1.44 H new ATOM 0 HD23 LEU A 28 4.685 9.672 -6.850 1.00 1.44 H new ATOM 422 N LEU A 29 8.201 6.009 -6.428 1.00 0.40 N ATOM 423 CA LEU A 29 9.513 5.416 -6.224 1.00 0.41 C ATOM 424 C LEU A 29 10.273 5.293 -7.543 1.00 0.44 C ATOM 425 O LEU A 29 11.287 4.599 -7.618 1.00 0.48 O ATOM 426 CB LEU A 29 9.359 4.033 -5.584 1.00 0.38 C ATOM 427 CG LEU A 29 8.571 4.006 -4.274 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.334 2.574 -3.823 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.295 4.789 -3.190 1.00 0.49 C ATOM 0 H LEU A 29 7.454 5.330 -6.578 1.00 0.40 H new ATOM 0 HA LEU A 29 10.084 6.067 -5.562 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.868 3.372 -6.298 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.352 3.623 -5.401 1.00 0.38 H new ATOM 0 HG LEU A 29 7.605 4.479 -4.451 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.772 2.575 -2.889 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.768 2.041 -4.587 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.292 2.078 -3.669 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.715 4.755 -2.268 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.277 4.349 -3.017 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.413 5.825 -3.507 1.00 0.49 H new ATOM 441 N ASN A 30 9.757 5.952 -8.585 1.00 0.45 N ATOM 442 CA ASN A 30 10.375 5.942 -9.917 1.00 0.51 C ATOM 443 C ASN A 30 10.577 4.519 -10.427 1.00 0.49 C ATOM 444 O ASN A 30 11.511 4.242 -11.179 1.00 0.55 O ATOM 445 CB ASN A 30 11.711 6.695 -9.918 1.00 0.60 C ATOM 446 CG ASN A 30 11.535 8.197 -9.786 1.00 0.79 C ATOM 447 OD1 ASN A 30 11.361 8.899 -10.783 1.00 1.36 O ATOM 448 ND2 ASN A 30 11.590 8.706 -8.563 1.00 1.44 N ATOM 0 H ASN A 30 8.902 6.506 -8.531 1.00 0.45 H new ATOM 0 HA ASN A 30 9.689 6.455 -10.591 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.329 6.332 -9.097 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.247 6.476 -10.841 1.00 0.60 H new ATOM 0 HD21 ASN A 30 11.487 9.711 -8.424 1.00 1.44 H new ATOM 0 HD22 ASN A 30 11.736 8.092 -7.761 1.00 1.44 H new ATOM 455 N HIS A 31 9.687 3.626 -10.002 1.00 0.46 N ATOM 456 CA HIS A 31 9.714 2.217 -10.398 1.00 0.50 C ATOM 457 C HIS A 31 11.010 1.525 -9.986 1.00 0.55 C ATOM 458 O HIS A 31 11.377 0.499 -10.556 1.00 0.67 O ATOM 459 CB HIS A 31 9.495 2.061 -11.907 1.00 0.60 C ATOM 460 CG HIS A 31 8.152 2.535 -12.368 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.004 1.783 -12.244 1.00 1.25 N ATOM 462 CD2 HIS A 31 7.774 3.696 -12.954 1.00 1.11 C ATOM 463 CE1 HIS A 31 5.983 2.458 -12.733 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.422 3.623 -13.170 1.00 0.94 N ATOM 0 H HIS A 31 8.922 3.859 -9.369 1.00 0.46 H new ATOM 0 HA HIS A 31 8.894 1.732 -9.869 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.269 2.616 -12.438 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.613 1.012 -12.177 1.00 0.60 H new ATOM 0 HD2 HIS A 31 8.418 4.526 -13.205 1.00 1.11 H new ATOM 0 HE1 HIS A 31 4.959 2.115 -12.770 1.00 1.16 H new ATOM 0 HE2 HIS A 31 5.849 4.350 -13.598 1.00 0.94 H new ATOM 473 N ARG A 32 11.705 2.075 -8.998 1.00 0.53 N ATOM 474 CA ARG A 32 12.919 1.444 -8.497 1.00 0.61 C ATOM 475 C ARG A 32 12.547 0.245 -7.635 1.00 0.56 C ATOM 476 O ARG A 32 13.324 -0.697 -7.477 1.00 0.66 O ATOM 477 CB ARG A 32 13.767 2.441 -7.702 1.00 0.71 C ATOM 478 CG ARG A 32 14.173 3.672 -8.501 1.00 0.81 C ATOM 479 CD ARG A 32 14.911 3.309 -9.781 1.00 1.64 C ATOM 480 NE ARG A 32 15.280 4.499 -10.547 1.00 2.26 N ATOM 481 CZ ARG A 32 15.098 4.638 -11.864 1.00 3.24 C ATOM 482 NH1 ARG A 32 14.569 3.654 -12.581 1.00 3.73 N ATOM 483 NH2 ARG A 32 15.450 5.769 -12.464 1.00 4.08 N ATOM 0 H ARG A 32 11.453 2.947 -8.532 1.00 0.53 H new ATOM 0 HA ARG A 32 13.517 1.105 -9.343 1.00 0.61 H new ATOM 0 HB2 ARG A 32 13.209 2.758 -6.821 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.666 1.937 -7.346 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.284 4.252 -8.748 1.00 0.81 H new ATOM 0 HG3 ARG A 32 14.808 4.309 -7.886 1.00 0.81 H new ATOM 0 HD2 ARG A 32 15.808 2.741 -9.535 1.00 1.64 H new ATOM 0 HD3 ARG A 32 14.282 2.662 -10.393 1.00 1.64 H new ATOM 0 HE ARG A 32 15.705 5.276 -10.042 1.00 2.26 H new ATOM 0 HH11 ARG A 32 14.297 2.782 -12.128 1.00 3.73 H new ATOM 0 HH12 ARG A 32 14.434 3.770 -13.585 1.00 3.73 H new ATOM 0 HH21 ARG A 32 15.858 6.529 -11.920 1.00 4.08 H new ATOM 0 HH22 ARG A 32 15.312 5.878 -13.469 1.00 4.08 H new ATOM 497 N ALA A 33 11.342 0.294 -7.093 1.00 0.48 N ATOM 498 CA ALA A 33 10.771 -0.822 -6.362 1.00 0.45 C ATOM 499 C ALA A 33 9.520 -1.301 -7.084 1.00 0.43 C ATOM 500 O ALA A 33 8.871 -0.522 -7.785 1.00 0.49 O ATOM 501 CB ALA A 33 10.447 -0.413 -4.932 1.00 0.49 C ATOM 0 H ALA A 33 10.732 1.110 -7.148 1.00 0.48 H new ATOM 0 HA ALA A 33 11.494 -1.637 -6.318 1.00 0.45 H new ATOM 0 HB1 ALA A 33 10.020 -1.262 -4.399 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.359 -0.091 -4.430 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.730 0.408 -4.942 1.00 0.49 H new ATOM 507 N HIS A 34 9.189 -2.570 -6.928 1.00 0.39 N ATOM 508 CA HIS A 34 8.049 -3.139 -7.625 1.00 0.41 C ATOM 509 C HIS A 34 6.879 -3.307 -6.669 1.00 0.36 C ATOM 510 O HIS A 34 7.049 -3.748 -5.535 1.00 0.34 O ATOM 511 CB HIS A 34 8.421 -4.487 -8.260 1.00 0.48 C ATOM 512 CG HIS A 34 7.299 -5.113 -9.038 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.004 -4.772 -10.340 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.389 -6.053 -8.683 1.00 0.63 C ATOM 515 CE1 HIS A 34 5.962 -5.470 -10.750 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.571 -6.254 -9.765 1.00 0.80 N ATOM 0 H HIS A 34 9.691 -3.224 -6.327 1.00 0.39 H new ATOM 0 HA HIS A 34 7.754 -2.456 -8.421 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.276 -4.345 -8.921 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.736 -5.175 -7.475 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.321 -6.551 -7.727 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.506 -5.409 -11.727 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.787 -6.905 -9.802 1.00 0.80 H new ATOM 525 N THR A 35 5.695 -2.958 -7.135 1.00 0.38 N ATOM 526 CA THR A 35 4.500 -3.061 -6.326 1.00 0.36 C ATOM 527 C THR A 35 3.573 -4.142 -6.871 1.00 0.39 C ATOM 528 O THR A 35 3.396 -4.272 -8.083 1.00 0.45 O ATOM 529 CB THR A 35 3.760 -1.714 -6.273 1.00 0.41 C ATOM 530 OG1 THR A 35 3.527 -1.227 -7.603 1.00 0.49 O ATOM 531 CG2 THR A 35 4.573 -0.692 -5.498 1.00 0.41 C ATOM 0 H THR A 35 5.537 -2.599 -8.076 1.00 0.38 H new ATOM 0 HA THR A 35 4.802 -3.334 -5.315 1.00 0.36 H new ATOM 0 HB THR A 35 2.805 -1.866 -5.769 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.973 -0.420 -7.563 1.00 0.49 H new ATOM 0 HG21 THR A 35 4.035 0.256 -5.470 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.732 -1.049 -4.481 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.537 -0.548 -5.986 1.00 0.41 H new ATOM 539 N ASP A 36 2.999 -4.925 -5.974 1.00 0.38 N ATOM 540 CA ASP A 36 2.123 -6.019 -6.364 1.00 0.44 C ATOM 541 C ASP A 36 0.922 -6.081 -5.435 1.00 0.39 C ATOM 542 O ASP A 36 1.069 -6.092 -4.213 1.00 0.47 O ATOM 543 CB ASP A 36 2.889 -7.349 -6.341 1.00 0.56 C ATOM 544 CG ASP A 36 2.015 -8.539 -6.685 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.677 -8.704 -7.870 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.640 -9.298 -5.766 1.00 1.56 O ATOM 0 H ASP A 36 3.124 -4.824 -4.967 1.00 0.38 H new ATOM 0 HA ASP A 36 1.770 -5.843 -7.380 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.718 -7.297 -7.047 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.322 -7.496 -5.351 1.00 0.56 H new ATOM 551 N VAL A 37 -0.265 -6.093 -6.017 1.00 0.37 N ATOM 552 CA VAL A 37 -1.492 -6.112 -5.241 1.00 0.37 C ATOM 553 C VAL A 37 -1.771 -7.510 -4.700 1.00 0.36 C ATOM 554 O VAL A 37 -1.758 -8.493 -5.440 1.00 0.48 O ATOM 555 CB VAL A 37 -2.698 -5.625 -6.077 1.00 0.44 C ATOM 556 CG1 VAL A 37 -3.990 -5.712 -5.275 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.470 -4.201 -6.569 1.00 0.54 C ATOM 0 H VAL A 37 -0.405 -6.090 -7.027 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.355 -5.428 -4.404 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.793 -6.280 -6.943 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.822 -5.363 -5.887 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.166 -6.746 -4.979 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.908 -5.089 -4.385 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.330 -3.877 -7.155 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.342 -3.537 -5.714 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.575 -4.170 -7.190 1.00 0.54 H new ATOM 567 N VAL A 38 -2.018 -7.584 -3.404 1.00 0.34 N ATOM 568 CA VAL A 38 -2.342 -8.839 -2.751 1.00 0.36 C ATOM 569 C VAL A 38 -3.851 -8.999 -2.702 1.00 0.42 C ATOM 570 O VAL A 38 -4.544 -8.198 -2.071 1.00 0.46 O ATOM 571 CB VAL A 38 -1.776 -8.899 -1.318 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.093 -10.233 -0.665 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.278 -8.647 -1.321 1.00 0.46 C ATOM 0 H VAL A 38 -2.000 -6.779 -2.777 1.00 0.34 H new ATOM 0 HA VAL A 38 -1.889 -9.647 -3.325 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.255 -8.113 -0.733 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -1.683 -10.250 0.345 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.174 -10.369 -0.620 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -1.650 -11.039 -1.250 1.00 0.45 H new ATOM 0 HG21 VAL A 38 0.101 -8.694 -0.300 1.00 0.46 H new ATOM 0 HG22 VAL A 38 0.217 -9.406 -1.927 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.076 -7.660 -1.738 1.00 0.46 H new ATOM 583 N GLY A 39 -4.351 -10.019 -3.383 1.00 0.58 N ATOM 584 CA GLY A 39 -5.779 -10.223 -3.478 1.00 0.74 C ATOM 585 C GLY A 39 -6.421 -10.544 -2.146 1.00 0.69 C ATOM 586 O GLY A 39 -5.751 -10.972 -1.206 1.00 0.84 O ATOM 0 H GLY A 39 -3.788 -10.713 -3.874 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.242 -9.327 -3.891 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -5.979 -11.036 -4.176 1.00 0.74 H new ATOM 590 N TYR A 40 -7.726 -10.347 -2.077 1.00 0.73 N ATOM 591 CA TYR A 40 -8.483 -10.594 -0.861 1.00 0.82 C ATOM 592 C TYR A 40 -8.536 -12.086 -0.549 1.00 1.19 C ATOM 593 O TYR A 40 -8.810 -12.908 -1.427 1.00 1.44 O ATOM 594 CB TYR A 40 -9.905 -10.034 -1.004 1.00 0.91 C ATOM 595 CG TYR A 40 -10.820 -10.361 0.160 1.00 1.21 C ATOM 596 CD1 TYR A 40 -10.664 -9.727 1.389 1.00 1.29 C ATOM 597 CD2 TYR A 40 -11.839 -11.300 0.032 1.00 1.66 C ATOM 598 CE1 TYR A 40 -11.495 -10.020 2.454 1.00 1.73 C ATOM 599 CE2 TYR A 40 -12.673 -11.595 1.095 1.00 2.08 C ATOM 600 CZ TYR A 40 -12.502 -10.972 2.292 1.00 2.09 C ATOM 601 OH TYR A 40 -13.323 -11.246 3.362 1.00 2.57 O ATOM 0 H TYR A 40 -8.289 -10.013 -2.859 1.00 0.73 H new ATOM 0 HA TYR A 40 -7.982 -10.089 -0.035 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -9.848 -8.951 -1.114 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -10.347 -10.425 -1.920 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -9.881 -8.994 1.513 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -11.981 -11.806 -0.912 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -11.366 -9.517 3.401 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -13.462 -12.322 0.974 1.00 2.08 H new ATOM 0 HH TYR A 40 -13.979 -11.927 3.105 1.00 2.57 H new ATOM 611 N GLY A 41 -8.255 -12.427 0.700 1.00 1.45 N ATOM 612 CA GLY A 41 -8.363 -13.799 1.139 1.00 1.91 C ATOM 613 C GLY A 41 -9.705 -14.060 1.785 1.00 2.10 C ATOM 614 O GLY A 41 -10.035 -13.444 2.800 1.00 2.74 O ATOM 0 H GLY A 41 -7.952 -11.771 1.420 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -8.229 -14.468 0.289 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -7.565 -14.021 1.848 1.00 1.91 H new ATOM 618 N GLY A 42 -10.468 -14.978 1.205 1.00 2.18 N ATOM 619 CA GLY A 42 -11.835 -15.211 1.641 1.00 2.55 C ATOM 620 C GLY A 42 -11.938 -15.798 3.036 1.00 2.43 C ATOM 621 O GLY A 42 -12.990 -15.718 3.669 1.00 2.95 O ATOM 0 H GLY A 42 -10.162 -15.571 0.433 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -12.382 -14.269 1.612 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -12.322 -15.885 0.936 1.00 2.55 H new ATOM 625 N HIS A 43 -10.854 -16.394 3.518 1.00 2.38 N ATOM 626 CA HIS A 43 -10.844 -16.978 4.856 1.00 2.64 C ATOM 627 C HIS A 43 -10.751 -15.881 5.914 1.00 2.45 C ATOM 628 O HIS A 43 -11.223 -16.045 7.039 1.00 2.82 O ATOM 629 CB HIS A 43 -9.682 -17.971 5.008 1.00 3.41 C ATOM 630 CG HIS A 43 -9.656 -18.687 6.329 1.00 4.12 C ATOM 631 ND1 HIS A 43 -10.402 -19.817 6.586 1.00 4.78 N ATOM 632 CD2 HIS A 43 -8.959 -18.437 7.465 1.00 4.72 C ATOM 633 CE1 HIS A 43 -10.166 -20.228 7.816 1.00 5.56 C ATOM 634 NE2 HIS A 43 -9.294 -19.410 8.372 1.00 5.56 N ATOM 0 H HIS A 43 -9.976 -16.486 3.008 1.00 2.38 H new ATOM 0 HA HIS A 43 -11.778 -17.522 5.000 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -9.742 -18.709 4.208 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -8.741 -17.436 4.878 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -8.268 -17.623 7.626 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -10.612 -21.090 8.289 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -8.928 -19.488 9.321 1.00 5.56 H new ATOM 643 N GLY A 44 -10.147 -14.762 5.546 1.00 2.45 N ATOM 644 CA GLY A 44 -10.017 -13.661 6.476 1.00 2.61 C ATOM 645 C GLY A 44 -8.718 -12.901 6.307 1.00 2.52 C ATOM 646 O GLY A 44 -8.012 -12.642 7.284 1.00 3.24 O ATOM 0 H GLY A 44 -9.746 -14.597 4.623 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -10.854 -12.976 6.340 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -10.080 -14.043 7.495 1.00 2.61 H new ATOM 650 N HIS A 45 -8.396 -12.541 5.072 1.00 2.13 N ATOM 651 CA HIS A 45 -7.203 -11.751 4.802 1.00 2.41 C ATOM 652 C HIS A 45 -7.568 -10.525 3.979 1.00 1.96 C ATOM 653 O HIS A 45 -7.853 -10.635 2.787 1.00 1.99 O ATOM 654 CB HIS A 45 -6.143 -12.585 4.071 1.00 3.13 C ATOM 655 CG HIS A 45 -4.855 -11.850 3.833 1.00 3.69 C ATOM 656 ND1 HIS A 45 -3.979 -11.522 4.842 1.00 4.34 N ATOM 657 CD2 HIS A 45 -4.300 -11.377 2.691 1.00 4.18 C ATOM 658 CE1 HIS A 45 -2.945 -10.879 4.336 1.00 4.97 C ATOM 659 NE2 HIS A 45 -3.111 -10.779 3.030 1.00 4.90 N ATOM 0 H HIS A 45 -8.942 -12.782 4.245 1.00 2.13 H new ATOM 0 HA HIS A 45 -6.781 -11.430 5.755 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -5.936 -13.484 4.652 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -6.547 -12.911 3.113 1.00 3.13 H new ATOM 0 HD2 HIS A 45 -4.716 -11.456 1.697 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -2.104 -10.498 4.896 1.00 4.97 H new ATOM 0 HE2 HIS A 45 -2.464 -10.332 2.381 1.00 4.90 H new ATOM 668 N PRO A 46 -7.586 -9.348 4.619 1.00 1.70 N ATOM 669 CA PRO A 46 -7.900 -8.081 3.950 1.00 1.42 C ATOM 670 C PRO A 46 -6.947 -7.794 2.794 1.00 1.09 C ATOM 671 O PRO A 46 -5.768 -8.152 2.842 1.00 1.09 O ATOM 672 CB PRO A 46 -7.724 -7.035 5.057 1.00 1.54 C ATOM 673 CG PRO A 46 -7.865 -7.796 6.331 1.00 1.86 C ATOM 674 CD PRO A 46 -7.301 -9.157 6.052 1.00 1.87 C ATOM 0 HA PRO A 46 -8.897 -8.088 3.510 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -6.749 -6.551 4.992 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -8.476 -6.249 4.981 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -7.325 -7.307 7.142 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -8.909 -7.859 6.636 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -6.232 -9.201 6.260 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -7.777 -9.924 6.664 1.00 1.87 H new ATOM 682 N THR A 47 -7.479 -7.167 1.753 1.00 0.89 N ATOM 683 CA THR A 47 -6.692 -6.788 0.594 1.00 0.62 C ATOM 684 C THR A 47 -5.600 -5.792 0.994 1.00 0.51 C ATOM 685 O THR A 47 -5.812 -4.946 1.868 1.00 0.59 O ATOM 686 CB THR A 47 -7.606 -6.160 -0.478 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.828 -6.910 -0.562 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.934 -6.136 -1.848 1.00 0.55 C ATOM 0 H THR A 47 -8.464 -6.909 1.691 1.00 0.89 H new ATOM 0 HA THR A 47 -6.219 -7.681 0.185 1.00 0.62 H new ATOM 0 HB THR A 47 -7.811 -5.131 -0.184 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.411 -6.511 -1.242 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.609 -5.687 -2.576 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.017 -5.550 -1.793 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.696 -7.155 -2.154 1.00 0.55 H new ATOM 696 N GLN A 48 -4.443 -5.895 0.357 1.00 0.40 N ATOM 697 CA GLN A 48 -3.310 -5.042 0.689 1.00 0.36 C ATOM 698 C GLN A 48 -2.340 -4.997 -0.481 1.00 0.33 C ATOM 699 O GLN A 48 -2.441 -5.802 -1.400 1.00 0.40 O ATOM 700 CB GLN A 48 -2.603 -5.551 1.954 1.00 0.36 C ATOM 701 CG GLN A 48 -1.940 -6.911 1.806 1.00 0.39 C ATOM 702 CD GLN A 48 -1.265 -7.364 3.088 1.00 0.49 C ATOM 703 OE1 GLN A 48 -1.708 -7.035 4.188 1.00 1.06 O ATOM 704 NE2 GLN A 48 -0.181 -8.115 2.961 1.00 1.04 N ATOM 0 H GLN A 48 -4.263 -6.562 -0.394 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.674 -4.034 0.887 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.847 -4.823 2.249 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.330 -5.602 2.765 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.688 -7.647 1.512 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.202 -6.868 1.005 1.00 0.39 H new ATOM 0 HE21 GLN A 48 0.158 -8.369 2.033 1.00 1.04 H new ATOM 0 HE22 GLN A 48 0.315 -8.440 3.791 1.00 1.04 H new ATOM 713 N VAL A 49 -1.415 -4.053 -0.462 1.00 0.29 N ATOM 714 CA VAL A 49 -0.431 -3.951 -1.526 1.00 0.29 C ATOM 715 C VAL A 49 0.980 -4.131 -0.972 1.00 0.28 C ATOM 716 O VAL A 49 1.377 -3.463 -0.015 1.00 0.30 O ATOM 717 CB VAL A 49 -0.551 -2.610 -2.294 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.349 -1.416 -1.371 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.435 -2.564 -3.454 1.00 0.36 C ATOM 0 H VAL A 49 -1.324 -3.351 0.272 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.632 -4.753 -2.236 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.563 -2.550 -2.695 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.440 -0.493 -1.944 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.105 -1.431 -0.586 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.643 -1.467 -0.921 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.334 -1.615 -3.980 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.451 -2.661 -3.072 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.226 -3.383 -4.142 1.00 0.36 H new ATOM 729 N ARG A 50 1.711 -5.077 -1.545 1.00 0.31 N ATOM 730 CA ARG A 50 3.079 -5.335 -1.126 1.00 0.30 C ATOM 731 C ARG A 50 4.070 -4.622 -2.036 1.00 0.27 C ATOM 732 O ARG A 50 3.966 -4.676 -3.265 1.00 0.30 O ATOM 733 CB ARG A 50 3.371 -6.843 -1.081 1.00 0.34 C ATOM 734 CG ARG A 50 3.166 -7.558 -2.406 1.00 0.39 C ATOM 735 CD ARG A 50 3.465 -9.045 -2.294 1.00 0.52 C ATOM 736 NE ARG A 50 3.112 -9.767 -3.516 1.00 1.34 N ATOM 737 CZ ARG A 50 3.350 -11.062 -3.719 1.00 1.60 C ATOM 738 NH1 ARG A 50 3.960 -11.790 -2.791 1.00 1.15 N ATOM 739 NH2 ARG A 50 2.975 -11.623 -4.859 1.00 2.62 N ATOM 0 H ARG A 50 1.379 -5.677 -2.300 1.00 0.31 H new ATOM 0 HA ARG A 50 3.197 -4.940 -0.117 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.401 -6.993 -0.756 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.729 -7.303 -0.330 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.138 -7.418 -2.740 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.811 -7.113 -3.163 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.525 -9.187 -2.082 1.00 0.52 H new ATOM 0 HD3 ARG A 50 2.913 -9.464 -1.453 1.00 0.52 H new ATOM 0 HE ARG A 50 2.653 -9.244 -4.262 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.251 -11.358 -1.914 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.138 -12.781 -2.955 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.508 -11.064 -5.573 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.153 -12.614 -5.023 1.00 2.62 H new ATOM 753 N ILE A 51 5.007 -3.929 -1.420 1.00 0.24 N ATOM 754 CA ILE A 51 6.051 -3.229 -2.137 1.00 0.23 C ATOM 755 C ILE A 51 7.377 -3.937 -1.904 1.00 0.24 C ATOM 756 O ILE A 51 7.868 -3.997 -0.774 1.00 0.27 O ATOM 757 CB ILE A 51 6.159 -1.764 -1.666 1.00 0.28 C ATOM 758 CG1 ILE A 51 4.772 -1.116 -1.642 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.096 -0.982 -2.581 1.00 0.31 C ATOM 760 CD1 ILE A 51 4.742 0.235 -0.964 1.00 0.42 C ATOM 0 H ILE A 51 5.065 -3.836 -0.406 1.00 0.24 H new ATOM 0 HA ILE A 51 5.806 -3.230 -3.199 1.00 0.23 H new ATOM 0 HB ILE A 51 6.569 -1.748 -0.656 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.415 -1.006 -2.666 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.078 -1.784 -1.132 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.163 0.050 -2.237 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.087 -1.436 -2.561 1.00 0.31 H new ATOM 0 HG23 ILE A 51 6.709 -1.000 -3.600 1.00 0.31 H new ATOM 0 HD11 ILE A 51 3.727 0.631 -0.986 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.068 0.130 0.071 1.00 0.42 H new ATOM 0 HD13 ILE A 51 5.410 0.920 -1.487 1.00 0.42 H new ATOM 772 N VAL A 52 7.938 -4.489 -2.965 1.00 0.24 N ATOM 773 CA VAL A 52 9.160 -5.268 -2.865 1.00 0.30 C ATOM 774 C VAL A 52 10.283 -4.590 -3.638 1.00 0.34 C ATOM 775 O VAL A 52 10.097 -4.170 -4.783 1.00 0.33 O ATOM 776 CB VAL A 52 8.961 -6.703 -3.410 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.204 -7.556 -3.182 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.740 -7.359 -2.779 1.00 0.38 C ATOM 0 H VAL A 52 7.565 -4.412 -3.911 1.00 0.24 H new ATOM 0 HA VAL A 52 9.424 -5.330 -1.809 1.00 0.30 H new ATOM 0 HB VAL A 52 8.794 -6.629 -4.485 1.00 0.36 H new ATOM 0 HG11 VAL A 52 10.034 -8.558 -3.575 1.00 0.46 H new ATOM 0 HG12 VAL A 52 11.054 -7.105 -3.694 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.413 -7.616 -2.114 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.621 -8.366 -3.178 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.872 -7.410 -1.698 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.852 -6.771 -3.009 1.00 0.38 H new ATOM 788 N ALA A 53 11.439 -4.472 -3.009 1.00 0.42 N ATOM 789 CA ALA A 53 12.593 -3.869 -3.654 1.00 0.53 C ATOM 790 C ALA A 53 13.708 -4.896 -3.821 1.00 0.73 C ATOM 791 O ALA A 53 14.457 -5.166 -2.883 1.00 0.93 O ATOM 792 CB ALA A 53 13.083 -2.668 -2.853 1.00 0.70 C ATOM 0 H ALA A 53 11.604 -4.786 -2.053 1.00 0.42 H new ATOM 0 HA ALA A 53 12.296 -3.523 -4.644 1.00 0.53 H new ATOM 0 HB1 ALA A 53 13.948 -2.228 -3.350 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.287 -1.926 -2.785 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.365 -2.990 -1.851 1.00 0.70 H new ATOM 798 N PRO A 54 13.821 -5.499 -5.015 1.00 0.85 N ATOM 799 CA PRO A 54 14.854 -6.496 -5.289 1.00 1.12 C ATOM 800 C PRO A 54 16.231 -5.855 -5.441 1.00 1.33 C ATOM 801 O PRO A 54 16.416 -4.930 -6.235 1.00 1.67 O ATOM 802 CB PRO A 54 14.402 -7.133 -6.605 1.00 1.38 C ATOM 803 CG PRO A 54 13.578 -6.089 -7.279 1.00 1.38 C ATOM 804 CD PRO A 54 12.955 -5.255 -6.186 1.00 0.90 C ATOM 0 HA PRO A 54 14.959 -7.217 -4.478 1.00 1.12 H new ATOM 0 HB2 PRO A 54 15.256 -7.418 -7.219 1.00 1.38 H new ATOM 0 HB3 PRO A 54 13.822 -8.038 -6.426 1.00 1.38 H new ATOM 0 HG2 PRO A 54 14.194 -5.472 -7.933 1.00 1.38 H new ATOM 0 HG3 PRO A 54 12.810 -6.546 -7.903 1.00 1.38 H new ATOM 0 HD2 PRO A 54 12.933 -4.198 -6.453 1.00 0.90 H new ATOM 0 HD3 PRO A 54 11.926 -5.556 -5.991 1.00 0.90 H new ATOM 812 N HIS A 55 17.190 -6.333 -4.663 1.00 1.70 N ATOM 813 CA HIS A 55 18.540 -5.789 -4.697 1.00 2.07 C ATOM 814 C HIS A 55 19.576 -6.897 -4.831 1.00 2.00 C ATOM 815 O HIS A 55 20.724 -6.630 -5.183 1.00 2.68 O ATOM 816 CB HIS A 55 18.823 -4.950 -3.440 1.00 3.16 C ATOM 817 CG HIS A 55 18.734 -5.714 -2.152 1.00 3.95 C ATOM 818 ND1 HIS A 55 19.838 -6.170 -1.470 1.00 4.65 N ATOM 819 CD2 HIS A 55 17.662 -6.100 -1.428 1.00 4.64 C ATOM 820 CE1 HIS A 55 19.447 -6.807 -0.384 1.00 5.54 C ATOM 821 NE2 HIS A 55 18.129 -6.781 -0.332 1.00 5.53 N ATOM 0 H HIS A 55 17.059 -7.097 -4.000 1.00 1.70 H new ATOM 0 HA HIS A 55 18.613 -5.143 -5.572 1.00 2.07 H new ATOM 0 HB2 HIS A 55 19.820 -4.517 -3.524 1.00 3.16 H new ATOM 0 HB3 HIS A 55 18.117 -4.120 -3.406 1.00 3.16 H new ATOM 0 HD1 HIS A 55 20.807 -6.036 -1.759 1.00 4.65 H new ATOM 0 HD2 HIS A 55 16.627 -5.908 -1.667 1.00 4.64 H new ATOM 0 HE1 HIS A 55 20.097 -7.272 0.342 1.00 5.54 H new ATOM 830 N ALA A 56 19.150 -8.134 -4.553 1.00 2.11 N ATOM 831 CA ALA A 56 20.017 -9.317 -4.604 1.00 2.93 C ATOM 832 C ALA A 56 21.202 -9.202 -3.643 1.00 3.03 C ATOM 833 O ALA A 56 21.175 -9.747 -2.537 1.00 3.40 O ATOM 834 CB ALA A 56 20.492 -9.580 -6.030 1.00 3.83 C ATOM 0 H ALA A 56 18.189 -8.344 -4.285 1.00 2.11 H new ATOM 0 HA ALA A 56 19.422 -10.170 -4.277 1.00 2.93 H new ATOM 0 HB1 ALA A 56 21.133 -10.461 -6.043 1.00 3.83 H new ATOM 0 HB2 ALA A 56 19.630 -9.749 -6.675 1.00 3.83 H new ATOM 0 HB3 ALA A 56 21.053 -8.718 -6.391 1.00 3.83 H new ATOM 840 N GLU A 57 22.228 -8.481 -4.060 1.00 3.26 N ATOM 841 CA GLU A 57 23.424 -8.309 -3.259 1.00 3.76 C ATOM 842 C GLU A 57 23.239 -7.134 -2.301 1.00 3.61 C ATOM 843 O GLU A 57 22.372 -6.284 -2.508 1.00 3.99 O ATOM 844 CB GLU A 57 24.633 -8.088 -4.180 1.00 4.58 C ATOM 845 CG GLU A 57 25.967 -8.010 -3.455 1.00 5.31 C ATOM 846 CD GLU A 57 26.201 -9.193 -2.544 1.00 5.69 C ATOM 847 OE1 GLU A 57 26.677 -10.239 -3.027 1.00 6.04 O ATOM 848 OE2 GLU A 57 25.906 -9.082 -1.335 1.00 5.97 O ATOM 0 H GLU A 57 22.254 -8.001 -4.960 1.00 3.26 H new ATOM 0 HA GLU A 57 23.603 -9.206 -2.666 1.00 3.76 H new ATOM 0 HB2 GLU A 57 24.675 -8.900 -4.906 1.00 4.58 H new ATOM 0 HB3 GLU A 57 24.483 -7.166 -4.741 1.00 4.58 H new ATOM 0 HG2 GLU A 57 26.772 -7.955 -4.188 1.00 5.31 H new ATOM 0 HG3 GLU A 57 26.005 -7.091 -2.869 1.00 5.31 H new ATOM 855 N HIS A 58 24.038 -7.106 -1.245 1.00 3.56 N ATOM 856 CA HIS A 58 23.966 -6.046 -0.250 1.00 3.76 C ATOM 857 C HIS A 58 25.369 -5.648 0.199 1.00 3.57 C ATOM 858 O HIS A 58 25.749 -5.851 1.352 1.00 4.09 O ATOM 859 CB HIS A 58 23.101 -6.472 0.953 1.00 4.54 C ATOM 860 CG HIS A 58 23.493 -7.780 1.581 1.00 5.13 C ATOM 861 ND1 HIS A 58 24.185 -7.872 2.770 1.00 5.69 N ATOM 862 CD2 HIS A 58 23.275 -9.054 1.180 1.00 5.69 C ATOM 863 CE1 HIS A 58 24.376 -9.144 3.067 1.00 6.45 C ATOM 864 NE2 HIS A 58 23.833 -9.879 2.120 1.00 6.46 N ATOM 0 H HIS A 58 24.750 -7.811 -1.054 1.00 3.56 H new ATOM 0 HA HIS A 58 23.490 -5.178 -0.706 1.00 3.76 H new ATOM 0 HB2 HIS A 58 23.150 -5.692 1.712 1.00 4.54 H new ATOM 0 HB3 HIS A 58 22.062 -6.537 0.630 1.00 4.54 H new ATOM 0 HD1 HIS A 58 24.500 -7.081 3.332 1.00 5.69 H new ATOM 0 HD2 HIS A 58 22.757 -9.363 0.284 1.00 5.69 H new ATOM 0 HE1 HIS A 58 24.891 -9.518 3.940 1.00 6.45 H new ATOM 873 N VAL A 59 26.136 -5.089 -0.730 1.00 3.30 N ATOM 874 CA VAL A 59 27.495 -4.646 -0.444 1.00 3.48 C ATOM 875 C VAL A 59 27.480 -3.568 0.634 1.00 2.89 C ATOM 876 O VAL A 59 27.039 -2.442 0.392 1.00 3.24 O ATOM 877 CB VAL A 59 28.204 -4.102 -1.703 1.00 4.38 C ATOM 878 CG1 VAL A 59 29.614 -3.643 -1.368 1.00 5.11 C ATOM 879 CG2 VAL A 59 28.239 -5.156 -2.799 1.00 5.10 C ATOM 0 H VAL A 59 25.838 -4.931 -1.693 1.00 3.30 H new ATOM 0 HA VAL A 59 28.051 -5.516 -0.093 1.00 3.48 H new ATOM 0 HB VAL A 59 27.637 -3.245 -2.067 1.00 4.38 H new ATOM 0 HG11 VAL A 59 30.097 -3.263 -2.269 1.00 5.11 H new ATOM 0 HG12 VAL A 59 29.571 -2.853 -0.619 1.00 5.11 H new ATOM 0 HG13 VAL A 59 30.187 -4.484 -0.976 1.00 5.11 H new ATOM 0 HG21 VAL A 59 28.743 -4.752 -3.677 1.00 5.10 H new ATOM 0 HG22 VAL A 59 28.779 -6.033 -2.443 1.00 5.10 H new ATOM 0 HG23 VAL A 59 27.220 -5.439 -3.064 1.00 5.10 H new ATOM 889 N ARG A 60 27.938 -3.939 1.828 1.00 2.60 N ATOM 890 CA ARG A 60 27.925 -3.051 2.993 1.00 2.50 C ATOM 891 C ARG A 60 26.493 -2.691 3.370 1.00 2.31 C ATOM 892 O ARG A 60 26.237 -1.645 3.967 1.00 2.94 O ATOM 893 CB ARG A 60 28.737 -1.772 2.732 1.00 3.03 C ATOM 894 CG ARG A 60 30.195 -2.022 2.372 1.00 3.53 C ATOM 895 CD ARG A 60 30.933 -0.716 2.115 1.00 4.11 C ATOM 896 NE ARG A 60 30.245 0.116 1.129 1.00 4.48 N ATOM 897 CZ ARG A 60 30.445 1.424 0.987 1.00 5.30 C ATOM 898 NH1 ARG A 60 31.345 2.047 1.738 1.00 5.79 N ATOM 899 NH2 ARG A 60 29.750 2.105 0.087 1.00 5.97 N ATOM 0 H ARG A 60 28.329 -4.862 2.017 1.00 2.60 H new ATOM 0 HA ARG A 60 28.390 -3.585 3.822 1.00 2.50 H new ATOM 0 HB2 ARG A 60 28.265 -1.214 1.923 1.00 3.03 H new ATOM 0 HB3 ARG A 60 28.697 -1.142 3.620 1.00 3.03 H new ATOM 0 HG2 ARG A 60 30.684 -2.565 3.181 1.00 3.53 H new ATOM 0 HG3 ARG A 60 30.250 -2.654 1.485 1.00 3.53 H new ATOM 0 HD2 ARG A 60 31.031 -0.164 3.050 1.00 4.11 H new ATOM 0 HD3 ARG A 60 31.943 -0.933 1.766 1.00 4.11 H new ATOM 0 HE ARG A 60 29.570 -0.334 0.511 1.00 4.48 H new ATOM 0 HH11 ARG A 60 31.886 1.523 2.426 1.00 5.79 H new ATOM 0 HH12 ARG A 60 31.496 3.050 1.627 1.00 5.79 H new ATOM 0 HH21 ARG A 60 29.063 1.626 -0.496 1.00 5.97 H new ATOM 0 HH22 ARG A 60 29.902 3.108 -0.023 1.00 5.97 H new ATOM 913 N GLY A 61 25.563 -3.566 3.017 1.00 1.94 N ATOM 914 CA GLY A 61 24.164 -3.319 3.291 1.00 1.93 C ATOM 915 C GLY A 61 23.561 -4.404 4.152 1.00 1.61 C ATOM 916 O GLY A 61 24.120 -5.498 4.256 1.00 1.76 O ATOM 0 H GLY A 61 25.755 -4.448 2.543 1.00 1.94 H new ATOM 0 HA2 GLY A 61 24.056 -2.356 3.791 1.00 1.93 H new ATOM 0 HA3 GLY A 61 23.616 -3.254 2.351 1.00 1.93 H new ATOM 920 N TYR A 62 22.423 -4.109 4.759 1.00 1.30 N ATOM 921 CA TYR A 62 21.768 -5.057 5.649 1.00 1.07 C ATOM 922 C TYR A 62 21.255 -6.261 4.868 1.00 0.90 C ATOM 923 O TYR A 62 20.768 -6.124 3.745 1.00 0.91 O ATOM 924 CB TYR A 62 20.597 -4.392 6.387 1.00 1.04 C ATOM 925 CG TYR A 62 20.982 -3.169 7.196 1.00 1.31 C ATOM 926 CD1 TYR A 62 21.606 -3.298 8.431 1.00 1.54 C ATOM 927 CD2 TYR A 62 20.720 -1.886 6.727 1.00 1.51 C ATOM 928 CE1 TYR A 62 21.957 -2.189 9.173 1.00 1.83 C ATOM 929 CE2 TYR A 62 21.069 -0.772 7.467 1.00 1.79 C ATOM 930 CZ TYR A 62 21.688 -0.930 8.688 1.00 1.91 C ATOM 931 OH TYR A 62 22.035 0.179 9.429 1.00 2.22 O ATOM 0 H TYR A 62 21.933 -3.221 4.652 1.00 1.30 H new ATOM 0 HA TYR A 62 22.505 -5.391 6.379 1.00 1.07 H new ATOM 0 HB2 TYR A 62 19.839 -4.107 5.658 1.00 1.04 H new ATOM 0 HB3 TYR A 62 20.140 -5.124 7.053 1.00 1.04 H new ATOM 0 HD1 TYR A 62 21.820 -4.284 8.817 1.00 1.54 H new ATOM 0 HD2 TYR A 62 20.236 -1.758 5.770 1.00 1.51 H new ATOM 0 HE1 TYR A 62 22.441 -2.309 10.131 1.00 1.83 H new ATOM 0 HE2 TYR A 62 20.858 0.218 7.090 1.00 1.79 H new ATOM 0 HH TYR A 62 21.777 0.990 8.944 1.00 2.22 H new ATOM 941 N ALA A 63 21.355 -7.439 5.469 1.00 0.92 N ATOM 942 CA ALA A 63 20.858 -8.661 4.849 1.00 0.91 C ATOM 943 C ALA A 63 19.366 -8.817 5.118 1.00 0.78 C ATOM 944 O ALA A 63 18.888 -9.887 5.491 1.00 0.94 O ATOM 945 CB ALA A 63 21.628 -9.867 5.359 1.00 1.16 C ATOM 0 H ALA A 63 21.777 -7.575 6.388 1.00 0.92 H new ATOM 0 HA ALA A 63 21.009 -8.594 3.772 1.00 0.91 H new ATOM 0 HB1 ALA A 63 21.244 -10.771 4.886 1.00 1.16 H new ATOM 0 HB2 ALA A 63 22.685 -9.752 5.118 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.509 -9.945 6.440 1.00 1.16 H new ATOM 951 N HIS A 64 18.640 -7.726 4.938 1.00 0.60 N ATOM 952 CA HIS A 64 17.208 -7.695 5.188 1.00 0.51 C ATOM 953 C HIS A 64 16.481 -7.277 3.920 1.00 0.47 C ATOM 954 O HIS A 64 16.644 -6.148 3.453 1.00 0.48 O ATOM 955 CB HIS A 64 16.868 -6.716 6.321 1.00 0.54 C ATOM 956 CG HIS A 64 17.269 -7.173 7.693 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.483 -6.968 8.806 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.384 -7.804 8.141 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.094 -7.450 9.872 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.249 -7.963 9.496 1.00 1.10 N ATOM 0 H HIS A 64 19.025 -6.839 4.615 1.00 0.60 H new ATOM 0 HA HIS A 64 16.889 -8.693 5.488 1.00 0.51 H new ATOM 0 HB2 HIS A 64 17.354 -5.762 6.115 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.793 -6.534 6.314 1.00 0.54 H new ATOM 0 HD1 HIS A 64 15.570 -6.514 8.806 1.00 0.99 H new ATOM 0 HD2 HIS A 64 19.223 -8.122 7.540 1.00 1.01 H new ATOM 0 HE1 HIS A 64 16.712 -7.428 10.882 1.00 1.13 H new ATOM 969 N PRO A 65 15.686 -8.184 3.341 1.00 0.58 N ATOM 970 CA PRO A 65 14.931 -7.900 2.122 1.00 0.64 C ATOM 971 C PRO A 65 13.818 -6.899 2.382 1.00 0.53 C ATOM 972 O PRO A 65 13.172 -6.941 3.432 1.00 0.54 O ATOM 973 CB PRO A 65 14.349 -9.261 1.728 1.00 0.84 C ATOM 974 CG PRO A 65 14.290 -10.034 3.000 1.00 1.08 C ATOM 975 CD PRO A 65 15.445 -9.552 3.837 1.00 0.77 C ATOM 0 HA PRO A 65 15.552 -7.458 1.343 1.00 0.64 H new ATOM 0 HB2 PRO A 65 13.359 -9.154 1.284 1.00 0.84 H new ATOM 0 HB3 PRO A 65 14.977 -9.761 0.990 1.00 0.84 H new ATOM 0 HG2 PRO A 65 13.342 -9.869 3.512 1.00 1.08 H new ATOM 0 HG3 PRO A 65 14.367 -11.104 2.809 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.200 -9.556 4.899 1.00 0.77 H new ATOM 0 HD3 PRO A 65 16.323 -10.185 3.710 1.00 0.77 H new ATOM 983 N LEU A 66 13.597 -5.994 1.443 1.00 0.50 N ATOM 984 CA LEU A 66 12.573 -4.982 1.612 1.00 0.44 C ATOM 985 C LEU A 66 11.227 -5.528 1.152 1.00 0.35 C ATOM 986 O LEU A 66 11.032 -5.833 -0.026 1.00 0.37 O ATOM 987 CB LEU A 66 12.952 -3.713 0.838 1.00 0.52 C ATOM 988 CG LEU A 66 12.117 -2.461 1.150 1.00 0.71 C ATOM 989 CD1 LEU A 66 12.902 -1.206 0.804 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.802 -2.472 0.380 1.00 1.05 C ATOM 0 H LEU A 66 14.110 -5.941 0.563 1.00 0.50 H new ATOM 0 HA LEU A 66 12.493 -4.720 2.667 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.999 -3.487 1.040 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.871 -3.923 -0.228 1.00 0.52 H new ATOM 0 HG LEU A 66 11.893 -2.465 2.217 1.00 0.71 H new ATOM 0 HD11 LEU A 66 12.299 -0.326 1.030 1.00 1.20 H new ATOM 0 HD12 LEU A 66 13.820 -1.178 1.391 1.00 1.20 H new ATOM 0 HD13 LEU A 66 13.150 -1.213 -0.257 1.00 1.20 H new ATOM 0 HD21 LEU A 66 10.232 -1.574 0.620 1.00 1.05 H new ATOM 0 HD22 LEU A 66 11.007 -2.496 -0.690 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.225 -3.354 0.658 1.00 1.05 H new ATOM 1002 N ASN A 67 10.309 -5.642 2.099 1.00 0.32 N ATOM 1003 CA ASN A 67 8.971 -6.142 1.831 1.00 0.31 C ATOM 1004 C ASN A 67 7.977 -5.393 2.703 1.00 0.30 C ATOM 1005 O ASN A 67 7.880 -5.644 3.908 1.00 0.40 O ATOM 1006 CB ASN A 67 8.882 -7.647 2.112 1.00 0.42 C ATOM 1007 CG ASN A 67 7.527 -8.235 1.743 1.00 0.51 C ATOM 1008 OD1 ASN A 67 7.332 -8.716 0.625 1.00 0.63 O ATOM 1009 ND2 ASN A 67 6.587 -8.206 2.676 1.00 0.54 N ATOM 0 H ASN A 67 10.471 -5.391 3.074 1.00 0.32 H new ATOM 0 HA ASN A 67 8.738 -5.981 0.779 1.00 0.31 H new ATOM 0 HB2 ASN A 67 9.662 -8.164 1.553 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.076 -7.827 3.169 1.00 0.42 H new ATOM 0 HD21 ASN A 67 5.663 -8.591 2.481 1.00 0.54 H new ATOM 0 HD22 ASN A 67 6.788 -7.799 3.590 1.00 0.54 H new ATOM 1016 N LEU A 68 7.260 -4.469 2.097 1.00 0.26 N ATOM 1017 CA LEU A 68 6.316 -3.636 2.821 1.00 0.24 C ATOM 1018 C LEU A 68 4.888 -4.008 2.451 1.00 0.23 C ATOM 1019 O LEU A 68 4.542 -4.068 1.275 1.00 0.25 O ATOM 1020 CB LEU A 68 6.591 -2.156 2.515 1.00 0.26 C ATOM 1021 CG LEU A 68 5.533 -1.156 2.993 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.352 -1.235 4.496 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.919 0.256 2.586 1.00 0.32 C ATOM 0 H LEU A 68 7.312 -4.274 1.097 1.00 0.26 H new ATOM 0 HA LEU A 68 6.441 -3.801 3.891 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.546 -1.885 2.965 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.704 -2.045 1.437 1.00 0.26 H new ATOM 0 HG LEU A 68 4.585 -1.414 2.520 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.596 -0.515 4.810 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.033 -2.240 4.772 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.297 -1.006 4.989 1.00 0.31 H new ATOM 0 HD21 LEU A 68 5.158 0.955 2.932 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.879 0.514 3.033 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.997 0.313 1.500 1.00 0.32 H new ATOM 1035 N ALA A 69 4.071 -4.270 3.456 1.00 0.24 N ATOM 1036 CA ALA A 69 2.675 -4.613 3.227 1.00 0.25 C ATOM 1037 C ALA A 69 1.759 -3.537 3.786 1.00 0.24 C ATOM 1038 O ALA A 69 1.699 -3.323 4.995 1.00 0.28 O ATOM 1039 CB ALA A 69 2.348 -5.958 3.855 1.00 0.30 C ATOM 0 H ALA A 69 4.348 -4.252 4.438 1.00 0.24 H new ATOM 0 HA ALA A 69 2.513 -4.680 2.151 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.300 -6.199 3.674 1.00 0.30 H new ATOM 0 HB2 ALA A 69 2.979 -6.729 3.413 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.530 -5.912 4.929 1.00 0.30 H new ATOM 1045 N LEU A 70 1.064 -2.851 2.892 1.00 0.22 N ATOM 1046 CA LEU A 70 0.159 -1.778 3.278 1.00 0.22 C ATOM 1047 C LEU A 70 -1.282 -2.268 3.289 1.00 0.23 C ATOM 1048 O LEU A 70 -1.834 -2.602 2.240 1.00 0.28 O ATOM 1049 CB LEU A 70 0.287 -0.605 2.300 1.00 0.23 C ATOM 1050 CG LEU A 70 1.658 0.074 2.246 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.696 1.081 1.113 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.974 0.758 3.564 1.00 0.25 C ATOM 0 H LEU A 70 1.110 -3.020 1.887 1.00 0.22 H new ATOM 0 HA LEU A 70 0.430 -1.449 4.281 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.040 -0.962 1.300 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.458 0.145 2.563 1.00 0.23 H new ATOM 0 HG LEU A 70 2.413 -0.691 2.068 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.675 1.558 1.083 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.512 0.572 0.167 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.928 1.838 1.273 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.953 1.233 3.502 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.216 1.513 3.773 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.980 0.019 4.365 1.00 0.25 H new ATOM 1064 N THR A 71 -1.884 -2.317 4.467 1.00 0.21 N ATOM 1065 CA THR A 71 -3.287 -2.682 4.583 1.00 0.23 C ATOM 1066 C THR A 71 -4.029 -1.636 5.415 1.00 0.22 C ATOM 1067 O THR A 71 -3.440 -0.988 6.287 1.00 0.21 O ATOM 1068 CB THR A 71 -3.472 -4.099 5.187 1.00 0.29 C ATOM 1069 OG1 THR A 71 -4.859 -4.475 5.167 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.949 -4.172 6.613 1.00 0.52 C ATOM 0 H THR A 71 -1.425 -2.109 5.354 1.00 0.21 H new ATOM 0 HA THR A 71 -3.710 -2.708 3.579 1.00 0.23 H new ATOM 0 HB THR A 71 -2.896 -4.792 4.574 1.00 0.29 H new ATOM 0 HG1 THR A 71 -4.960 -5.372 5.549 1.00 0.75 H new ATOM 0 HG21 THR A 71 -3.095 -5.179 7.003 1.00 0.52 H new ATOM 0 HG22 THR A 71 -1.886 -3.930 6.624 1.00 0.52 H new ATOM 0 HG23 THR A 71 -3.490 -3.459 7.236 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.315 -1.468 5.141 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.086 -0.388 5.740 1.00 0.27 C ATOM 1080 C TRP A 72 -7.290 -0.919 6.505 1.00 0.28 C ATOM 1081 O TRP A 72 -7.789 -2.014 6.230 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.543 0.603 4.660 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.415 1.367 4.031 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.928 2.580 4.424 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.635 0.975 2.893 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.890 2.961 3.611 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.693 1.995 2.662 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.640 -0.140 2.049 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.766 1.932 1.625 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.720 -0.199 1.020 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.793 0.831 0.816 1.00 0.31 C ATOM 0 H TRP A 72 -5.846 -2.066 4.508 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.438 0.128 6.449 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -7.080 0.059 3.883 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.248 1.308 5.100 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.305 3.157 5.255 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.353 3.824 3.700 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.350 -0.940 2.199 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -2.051 2.725 1.466 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.716 -1.055 0.361 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -2.086 0.754 0.003 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.735 -0.129 7.474 1.00 0.31 N ATOM 1103 CA ASN A 73 -8.887 -0.463 8.303 1.00 0.35 C ATOM 1104 C ASN A 73 -10.144 -0.609 7.459 1.00 0.31 C ATOM 1105 O ASN A 73 -10.423 0.213 6.583 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.095 0.619 9.363 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.030 0.583 10.443 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.556 -0.486 10.827 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.625 1.749 10.920 1.00 0.94 N ATOM 0 H ASN A 73 -7.305 0.766 7.708 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.691 -1.418 8.791 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.090 1.598 8.884 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.076 0.492 9.820 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -6.895 1.783 11.632 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.043 2.614 10.576 1.00 0.94 H new ATOM 1116 N THR A 74 -10.900 -1.665 7.749 1.00 0.36 N ATOM 1117 CA THR A 74 -12.103 -2.012 7.002 1.00 0.38 C ATOM 1118 C THR A 74 -13.129 -0.878 7.014 1.00 0.37 C ATOM 1119 O THR A 74 -13.907 -0.738 6.075 1.00 0.38 O ATOM 1120 CB THR A 74 -12.744 -3.291 7.580 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.722 -4.268 7.825 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.783 -3.871 6.629 1.00 0.71 C ATOM 0 H THR A 74 -10.693 -2.307 8.514 1.00 0.36 H new ATOM 0 HA THR A 74 -11.801 -2.186 5.969 1.00 0.38 H new ATOM 0 HB THR A 74 -13.245 -3.029 8.512 1.00 0.50 H new ATOM 0 HG1 THR A 74 -12.128 -5.080 8.194 1.00 0.74 H new ATOM 0 HG21 THR A 74 -14.215 -4.771 7.067 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.570 -3.137 6.459 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.308 -4.121 5.680 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.123 -0.072 8.074 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.010 1.088 8.156 1.00 0.45 C ATOM 1132 C ASP A 75 -13.744 2.038 6.998 1.00 0.40 C ATOM 1133 O ASP A 75 -14.660 2.454 6.293 1.00 0.44 O ATOM 1134 CB ASP A 75 -13.815 1.843 9.478 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.313 1.078 10.686 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -15.543 1.005 10.886 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -13.477 0.559 11.452 1.00 1.98 O ATOM 0 H ASP A 75 -12.517 -0.199 8.885 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.036 0.723 8.106 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -12.756 2.064 9.609 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.336 2.799 9.422 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.479 2.384 6.821 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.074 3.272 5.743 1.00 0.44 C ATOM 1144 C GLU A 76 -12.299 2.634 4.374 1.00 0.38 C ATOM 1145 O GLU A 76 -12.666 3.320 3.423 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.619 3.692 5.919 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.384 4.497 7.187 1.00 0.85 C ATOM 1148 CD GLU A 76 -11.229 5.755 7.233 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -10.823 6.776 6.630 1.00 1.25 O ATOM 1150 OE2 GLU A 76 -12.302 5.727 7.873 1.00 1.57 O ATOM 0 H GLU A 76 -11.713 2.062 7.412 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.700 4.163 5.790 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -9.989 2.803 5.938 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.310 4.283 5.057 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.610 3.878 8.055 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -9.330 4.767 7.254 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.063 1.330 4.265 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.402 0.601 3.041 1.00 0.34 C ATOM 1159 C ILE A 77 -13.894 0.734 2.724 1.00 0.34 C ATOM 1160 O ILE A 77 -14.279 0.951 1.576 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.029 -0.899 3.151 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.531 -1.065 3.449 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.402 -1.643 1.871 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.091 -2.512 3.575 1.00 0.40 C ATOM 0 H ILE A 77 -11.643 0.759 4.999 1.00 0.34 H new ATOM 0 HA ILE A 77 -11.821 1.044 2.232 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.595 -1.329 3.977 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -9.957 -0.588 2.655 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.293 -0.540 4.374 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.132 -2.694 1.969 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.475 -1.559 1.701 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.866 -1.208 1.028 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.022 -2.550 3.785 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.638 -2.989 4.388 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.296 -3.037 2.642 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.724 0.621 3.754 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.168 0.772 3.605 1.00 0.37 C ATOM 1178 C GLU A 78 -16.517 2.206 3.214 1.00 0.38 C ATOM 1179 O GLU A 78 -17.456 2.447 2.453 1.00 0.40 O ATOM 1180 CB GLU A 78 -16.866 0.389 4.914 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.383 0.417 4.842 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.029 -0.035 6.131 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.162 -1.260 6.341 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.404 0.832 6.948 1.00 2.15 O ATOM 0 H GLU A 78 -14.420 0.424 4.708 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.514 0.109 2.812 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.546 -0.612 5.204 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.538 1.069 5.700 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.714 1.429 4.608 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.717 -0.225 4.027 1.00 0.64 H new ATOM 1191 N ARG A 79 -15.743 3.152 3.741 1.00 0.40 N ATOM 1192 CA ARG A 79 -15.916 4.574 3.447 1.00 0.45 C ATOM 1193 C ARG A 79 -15.883 4.841 1.942 1.00 0.42 C ATOM 1194 O ARG A 79 -16.514 5.780 1.457 1.00 0.45 O ATOM 1195 CB ARG A 79 -14.806 5.387 4.120 1.00 0.56 C ATOM 1196 CG ARG A 79 -15.212 6.800 4.502 1.00 1.06 C ATOM 1197 CD ARG A 79 -16.012 6.798 5.793 1.00 1.60 C ATOM 1198 NE ARG A 79 -15.229 6.256 6.906 1.00 2.14 N ATOM 1199 CZ ARG A 79 -15.735 5.519 7.892 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -17.032 5.239 7.927 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -14.936 5.063 8.846 1.00 3.96 N ATOM 0 H ARG A 79 -14.977 2.955 4.385 1.00 0.40 H new ATOM 0 HA ARG A 79 -16.890 4.875 3.834 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -14.478 4.861 5.016 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -13.949 5.436 3.448 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -14.323 7.420 4.620 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -15.805 7.242 3.702 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -16.327 7.814 6.029 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -16.918 6.206 5.661 1.00 1.60 H new ATOM 0 HE ARG A 79 -14.229 6.457 6.927 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -17.649 5.589 7.195 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -17.411 4.673 8.686 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -13.939 5.277 8.822 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -15.318 4.498 9.604 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.149 4.007 1.210 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.983 4.179 -0.232 1.00 0.44 C ATOM 1217 C LEU A 80 -16.303 3.984 -0.977 1.00 0.47 C ATOM 1218 O LEU A 80 -16.438 4.385 -2.134 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.930 3.204 -0.767 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.521 3.384 -0.189 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.583 2.310 -0.721 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.972 4.768 -0.513 1.00 0.55 C ATOM 0 H LEU A 80 -14.657 3.200 1.594 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.647 5.201 -0.406 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -14.262 2.186 -0.562 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.877 3.310 -1.851 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.588 3.286 0.895 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.588 2.454 -0.300 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.958 1.327 -0.437 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -11.530 2.379 -1.808 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.972 4.870 -0.092 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.926 4.897 -1.594 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.625 5.528 -0.085 1.00 0.55 H new ATOM 1234 N MET A 81 -17.275 3.368 -0.314 1.00 0.49 N ATOM 1235 CA MET A 81 -18.598 3.178 -0.901 1.00 0.57 C ATOM 1236 C MET A 81 -19.402 4.471 -0.864 1.00 0.53 C ATOM 1237 O MET A 81 -20.380 4.628 -1.598 1.00 0.61 O ATOM 1238 CB MET A 81 -19.366 2.072 -0.171 1.00 0.67 C ATOM 1239 CG MET A 81 -18.947 0.667 -0.573 1.00 0.79 C ATOM 1240 SD MET A 81 -19.244 0.333 -2.323 1.00 1.85 S ATOM 1241 CE MET A 81 -21.006 0.648 -2.441 1.00 2.59 C ATOM 0 H MET A 81 -17.173 2.992 0.629 1.00 0.49 H new ATOM 0 HA MET A 81 -18.456 2.882 -1.940 1.00 0.57 H new ATOM 0 HB2 MET A 81 -19.222 2.191 0.903 1.00 0.67 H new ATOM 0 HB3 MET A 81 -20.432 2.193 -0.366 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.888 0.530 -0.355 1.00 0.79 H new ATOM 0 HG3 MET A 81 -19.493 -0.058 0.030 1.00 0.79 H new ATOM 0 HE1 MET A 81 -21.404 0.160 -3.330 1.00 2.59 H new ATOM 0 HE2 MET A 81 -21.506 0.254 -1.556 1.00 2.59 H new ATOM 0 HE3 MET A 81 -21.180 1.722 -2.508 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.978 5.402 -0.024 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.651 6.684 0.094 1.00 0.48 C ATOM 1253 C GLU A 82 -19.107 7.662 -0.945 1.00 0.43 C ATOM 1254 O GLU A 82 -17.967 7.517 -1.393 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.469 7.263 1.504 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.118 6.439 2.605 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.618 6.319 2.442 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.296 7.365 2.365 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -22.128 5.182 2.387 1.00 2.34 O ATOM 0 H GLU A 82 -18.169 5.292 0.587 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.715 6.531 -0.084 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.403 7.352 1.713 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -19.884 8.271 1.527 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -19.677 5.442 2.614 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -19.897 6.894 3.571 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.910 8.647 -1.331 1.00 0.52 N ATOM 1267 CA ALA A 83 -19.472 9.646 -2.301 1.00 0.61 C ATOM 1268 C ALA A 83 -18.232 10.383 -1.797 1.00 0.55 C ATOM 1269 O ALA A 83 -17.239 10.525 -2.520 1.00 0.57 O ATOM 1270 CB ALA A 83 -20.596 10.628 -2.602 1.00 0.79 C ATOM 0 H ALA A 83 -20.863 8.776 -0.990 1.00 0.52 H new ATOM 0 HA ALA A 83 -19.209 9.132 -3.226 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -20.251 11.365 -3.327 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -21.450 10.089 -3.011 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.893 11.134 -1.683 1.00 0.79 H new ATOM 1276 N ASP A 84 -18.278 10.812 -0.539 1.00 0.57 N ATOM 1277 CA ASP A 84 -17.150 11.505 0.084 1.00 0.61 C ATOM 1278 C ASP A 84 -16.001 10.543 0.345 1.00 0.49 C ATOM 1279 O ASP A 84 -14.905 10.954 0.726 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.565 12.169 1.401 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.524 13.323 1.203 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -18.068 14.420 0.817 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -19.739 13.136 1.424 1.00 1.76 O ATOM 0 H ASP A 84 -19.086 10.692 0.072 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.821 12.277 -0.611 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -18.030 11.424 2.047 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.675 12.528 1.917 1.00 0.77 H new ATOM 1288 N GLY A 85 -16.253 9.262 0.130 1.00 0.43 N ATOM 1289 CA GLY A 85 -15.229 8.262 0.318 1.00 0.41 C ATOM 1290 C GLY A 85 -14.289 8.220 -0.862 1.00 0.38 C ATOM 1291 O GLY A 85 -13.073 8.283 -0.695 1.00 0.39 O ATOM 0 H GLY A 85 -17.156 8.897 -0.173 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.668 8.478 1.227 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.691 7.284 0.454 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.854 8.113 -2.062 1.00 0.41 N ATOM 1296 CA ALA A 86 -14.070 8.208 -3.287 1.00 0.46 C ATOM 1297 C ALA A 86 -13.288 9.518 -3.340 1.00 0.45 C ATOM 1298 O ALA A 86 -12.146 9.551 -3.803 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.981 8.085 -4.501 1.00 0.57 C ATOM 0 H ALA A 86 -15.852 7.961 -2.211 1.00 0.41 H new ATOM 0 HA ALA A 86 -13.352 7.388 -3.297 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -14.386 8.157 -5.411 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.492 7.122 -4.477 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.719 8.887 -4.485 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.906 10.592 -2.858 1.00 0.47 N ATOM 1306 CA ALA A 87 -13.246 11.892 -2.784 1.00 0.53 C ATOM 1307 C ALA A 87 -12.063 11.849 -1.823 1.00 0.48 C ATOM 1308 O ALA A 87 -11.034 12.486 -2.056 1.00 0.51 O ATOM 1309 CB ALA A 87 -14.232 12.965 -2.357 1.00 0.63 C ATOM 0 H ALA A 87 -14.865 10.588 -2.512 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.870 12.137 -3.777 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.723 13.928 -2.307 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -15.045 13.021 -3.081 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.637 12.717 -1.376 1.00 0.63 H new ATOM 1315 N ARG A 88 -12.205 11.074 -0.755 1.00 0.45 N ATOM 1316 CA ARG A 88 -11.147 10.934 0.233 1.00 0.48 C ATOM 1317 C ARG A 88 -9.974 10.175 -0.376 1.00 0.40 C ATOM 1318 O ARG A 88 -8.815 10.452 -0.074 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.672 10.199 1.468 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.678 10.140 2.617 1.00 0.96 C ATOM 1321 CD ARG A 88 -11.266 9.429 3.826 1.00 1.41 C ATOM 1322 NE ARG A 88 -12.479 10.089 4.311 1.00 1.91 N ATOM 1323 CZ ARG A 88 -13.119 9.760 5.435 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -12.667 8.781 6.211 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -14.221 10.414 5.780 1.00 3.71 N ATOM 0 H ARG A 88 -13.045 10.532 -0.552 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.809 11.924 0.538 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.582 10.691 1.812 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.946 9.183 1.185 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -9.775 9.622 2.292 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -10.383 11.151 2.896 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.495 8.396 3.564 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -10.525 9.398 4.625 1.00 1.41 H new ATOM 0 HE ARG A 88 -12.861 10.852 3.752 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -11.822 8.272 5.950 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -13.164 8.538 7.068 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -14.575 11.164 5.187 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -14.714 10.166 6.638 1.00 3.71 H new ATOM 1339 N PHE A 89 -10.292 9.229 -1.255 1.00 0.35 N ATOM 1340 CA PHE A 89 -9.276 8.460 -1.962 1.00 0.34 C ATOM 1341 C PHE A 89 -8.426 9.378 -2.832 1.00 0.33 C ATOM 1342 O PHE A 89 -7.204 9.240 -2.889 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.931 7.371 -2.823 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.951 6.425 -3.460 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -8.477 5.327 -2.758 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.501 6.629 -4.756 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.576 4.456 -3.335 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.600 5.760 -5.336 1.00 0.54 C ATOM 1349 CZ PHE A 89 -7.137 4.672 -4.625 1.00 0.58 C ATOM 0 H PHE A 89 -11.251 8.977 -1.495 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.631 7.981 -1.225 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.623 6.799 -2.204 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.522 7.847 -3.605 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.817 5.152 -1.748 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.860 7.478 -5.318 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -7.214 3.605 -2.777 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.257 5.931 -6.346 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.432 3.990 -5.078 1.00 0.58 H new ATOM 1359 N GLU A 90 -9.078 10.335 -3.490 1.00 0.35 N ATOM 1360 CA GLU A 90 -8.379 11.282 -4.349 1.00 0.39 C ATOM 1361 C GLU A 90 -7.408 12.121 -3.533 1.00 0.38 C ATOM 1362 O GLU A 90 -6.270 12.359 -3.945 1.00 0.41 O ATOM 1363 CB GLU A 90 -9.372 12.204 -5.065 1.00 0.47 C ATOM 1364 CG GLU A 90 -10.253 11.496 -6.081 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.450 10.745 -7.117 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -8.686 11.391 -7.863 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -9.567 9.502 -7.179 1.00 2.10 O ATOM 0 H GLU A 90 -10.088 10.473 -3.443 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.825 10.712 -5.095 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -10.007 12.684 -4.321 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.818 12.996 -5.569 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.913 10.800 -5.563 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.889 12.228 -6.579 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.855 12.552 -2.365 1.00 0.39 N ATOM 1375 CA ARG A 91 -7.033 13.382 -1.506 1.00 0.44 C ATOM 1376 C ARG A 91 -5.915 12.554 -0.877 1.00 0.37 C ATOM 1377 O ARG A 91 -4.838 13.071 -0.576 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.890 14.042 -0.423 1.00 0.53 C ATOM 1379 CG ARG A 91 -7.159 15.121 0.360 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.636 16.212 -0.559 1.00 1.31 C ATOM 1381 NE ARG A 91 -5.959 17.274 0.176 1.00 2.11 N ATOM 1382 CZ ARG A 91 -5.279 18.261 -0.401 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -5.136 18.293 -1.720 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -4.727 19.207 0.345 1.00 4.06 N ATOM 0 H ARG A 91 -8.781 12.340 -1.992 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.580 14.167 -2.111 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.774 14.478 -0.887 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -8.239 13.276 0.269 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.832 15.556 1.098 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.329 14.676 0.909 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.946 15.776 -1.282 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -7.465 16.636 -1.125 1.00 1.31 H new ATOM 0 HE ARG A 91 -6.010 17.259 1.195 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -5.548 17.559 -2.296 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -4.614 19.052 -2.158 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -4.824 19.178 1.360 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -4.205 19.965 -0.096 1.00 4.06 H new ATOM 1398 N TYR A 92 -6.164 11.260 -0.714 1.00 0.33 N ATOM 1399 CA TYR A 92 -5.180 10.359 -0.129 1.00 0.32 C ATOM 1400 C TYR A 92 -4.023 10.146 -1.102 1.00 0.30 C ATOM 1401 O TYR A 92 -2.894 9.891 -0.689 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.827 9.017 0.235 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.922 8.087 1.016 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -4.571 8.368 2.331 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -4.416 6.929 0.437 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.741 7.524 3.046 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.588 6.078 1.146 1.00 0.48 C ATOM 1408 CZ TYR A 92 -3.263 6.376 2.455 1.00 0.55 C ATOM 1409 OH TYR A 92 -2.426 5.536 3.160 1.00 0.64 O ATOM 0 H TYR A 92 -7.041 10.811 -0.979 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.793 10.810 0.785 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.727 9.206 0.820 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -6.141 8.517 -0.681 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.953 9.261 2.803 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.674 6.690 -0.584 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -3.469 7.764 4.063 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -3.198 5.186 0.679 1.00 0.48 H new ATOM 0 HH TYR A 92 -2.634 5.593 4.116 1.00 0.64 H new ATOM 1419 N LEU A 93 -4.311 10.269 -2.395 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.280 10.159 -3.424 1.00 0.34 C ATOM 1421 C LEU A 93 -2.246 11.269 -3.259 1.00 0.35 C ATOM 1422 O LEU A 93 -1.060 11.081 -3.534 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.900 10.230 -4.825 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.934 9.146 -5.152 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.532 9.380 -6.530 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -4.311 7.759 -5.076 1.00 0.44 C ATOM 0 H LEU A 93 -5.249 10.445 -2.755 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.788 9.193 -3.309 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.373 11.205 -4.943 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.097 10.174 -5.560 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.730 9.204 -4.410 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.264 8.602 -6.746 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -6.021 10.354 -6.554 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.741 9.352 -7.279 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -5.065 7.008 -5.312 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.492 7.688 -5.792 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.929 7.586 -4.070 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.706 12.427 -2.808 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.818 13.553 -2.544 1.00 0.39 C ATOM 1440 C ALA A 94 -1.037 13.347 -1.249 1.00 0.37 C ATOM 1441 O ALA A 94 0.030 13.930 -1.052 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.615 14.847 -2.479 1.00 0.43 C ATOM 0 H ALA A 94 -3.690 12.613 -2.617 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.102 13.618 -3.363 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.941 15.680 -2.281 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.123 15.009 -3.429 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.353 14.780 -1.680 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.566 12.503 -0.373 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.951 12.265 0.924 1.00 0.35 C ATOM 1450 C ALA A 95 -0.047 11.038 0.896 1.00 0.33 C ATOM 1451 O ALA A 95 0.687 10.783 1.851 1.00 0.33 O ATOM 1452 CB ALA A 95 -2.021 12.106 1.991 1.00 0.40 C ATOM 0 H ALA A 95 -2.421 11.972 -0.538 1.00 0.33 H new ATOM 0 HA ALA A 95 -0.332 13.130 1.165 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -1.548 11.928 2.957 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.621 13.014 2.042 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -2.662 11.261 1.740 1.00 0.40 H new ATOM 1458 N LEU A 96 -0.095 10.288 -0.202 1.00 0.35 N ATOM 1459 CA LEU A 96 0.711 9.074 -0.346 1.00 0.36 C ATOM 1460 C LEU A 96 2.200 9.343 -0.104 1.00 0.35 C ATOM 1461 O LEU A 96 2.801 8.701 0.756 1.00 0.34 O ATOM 1462 CB LEU A 96 0.504 8.430 -1.725 1.00 0.44 C ATOM 1463 CG LEU A 96 -0.838 7.731 -1.935 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.995 7.324 -3.391 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.956 6.511 -1.030 1.00 0.49 C ATOM 0 H LEU A 96 -0.684 10.498 -1.008 1.00 0.35 H new ATOM 0 HA LEU A 96 0.369 8.376 0.419 1.00 0.36 H new ATOM 0 HB2 LEU A 96 0.614 9.202 -2.486 1.00 0.44 H new ATOM 0 HB3 LEU A 96 1.300 7.704 -1.890 1.00 0.44 H new ATOM 0 HG LEU A 96 -1.635 8.429 -1.676 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -1.955 6.827 -3.528 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.952 8.211 -4.023 1.00 0.56 H new ATOM 0 HD13 LEU A 96 -0.191 6.642 -3.667 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.919 6.027 -1.195 1.00 0.49 H new ATOM 0 HD22 LEU A 96 -0.154 5.809 -1.259 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.880 6.822 0.012 1.00 0.49 H new ATOM 1477 N PRO A 97 2.828 10.299 -0.829 1.00 0.37 N ATOM 1478 CA PRO A 97 4.251 10.607 -0.637 1.00 0.39 C ATOM 1479 C PRO A 97 4.544 11.139 0.765 1.00 0.35 C ATOM 1480 O PRO A 97 5.646 10.965 1.288 1.00 0.36 O ATOM 1481 CB PRO A 97 4.537 11.683 -1.689 1.00 0.46 C ATOM 1482 CG PRO A 97 3.206 12.269 -2.012 1.00 0.46 C ATOM 1483 CD PRO A 97 2.228 11.142 -1.883 1.00 0.42 C ATOM 0 HA PRO A 97 4.874 9.719 -0.743 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.219 12.441 -1.303 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.005 11.254 -2.575 1.00 0.46 H new ATOM 0 HG2 PRO A 97 2.959 13.082 -1.329 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.195 12.685 -3.020 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.237 11.498 -1.600 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.115 10.597 -2.820 1.00 0.42 H new ATOM 1491 N ARG A 98 3.543 11.762 1.380 1.00 0.34 N ATOM 1492 CA ARG A 98 3.703 12.337 2.710 1.00 0.35 C ATOM 1493 C ARG A 98 3.791 11.228 3.748 1.00 0.31 C ATOM 1494 O ARG A 98 4.579 11.301 4.691 1.00 0.33 O ATOM 1495 CB ARG A 98 2.538 13.274 3.041 1.00 0.44 C ATOM 1496 CG ARG A 98 2.348 14.396 2.033 1.00 1.33 C ATOM 1497 CD ARG A 98 1.248 15.354 2.461 1.00 1.71 C ATOM 1498 NE ARG A 98 1.570 16.032 3.718 1.00 2.37 N ATOM 1499 CZ ARG A 98 0.771 16.915 4.318 1.00 3.24 C ATOM 1500 NH1 ARG A 98 -0.410 17.217 3.790 1.00 3.56 N ATOM 1501 NH2 ARG A 98 1.157 17.491 5.449 1.00 4.22 N ATOM 0 H ARG A 98 2.613 11.881 0.978 1.00 0.34 H new ATOM 0 HA ARG A 98 4.625 12.917 2.726 1.00 0.35 H new ATOM 0 HB2 ARG A 98 1.619 12.690 3.098 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.702 13.708 4.027 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.283 14.944 1.917 1.00 1.33 H new ATOM 0 HG3 ARG A 98 2.104 13.973 1.059 1.00 1.33 H new ATOM 0 HD2 ARG A 98 1.089 16.096 1.679 1.00 1.71 H new ATOM 0 HD3 ARG A 98 0.313 14.805 2.574 1.00 1.71 H new ATOM 0 HE ARG A 98 2.462 15.815 4.163 1.00 2.37 H new ATOM 0 HH11 ARG A 98 -0.709 16.773 2.922 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -1.018 17.893 4.253 1.00 3.56 H new ATOM 0 HH21 ARG A 98 2.062 17.258 5.857 1.00 4.22 H new ATOM 0 HH22 ARG A 98 0.548 18.167 5.911 1.00 4.22 H new ATOM 1515 N LYS A 99 2.975 10.200 3.565 1.00 0.31 N ATOM 1516 CA LYS A 99 2.995 9.050 4.451 1.00 0.36 C ATOM 1517 C LYS A 99 4.223 8.198 4.161 1.00 0.32 C ATOM 1518 O LYS A 99 4.836 7.642 5.068 1.00 0.32 O ATOM 1519 CB LYS A 99 1.717 8.220 4.297 1.00 0.47 C ATOM 1520 CG LYS A 99 0.440 8.960 4.687 1.00 0.86 C ATOM 1521 CD LYS A 99 0.516 9.544 6.095 1.00 1.14 C ATOM 1522 CE LYS A 99 0.680 8.468 7.162 1.00 1.52 C ATOM 1523 NZ LYS A 99 -0.525 7.603 7.284 1.00 1.44 N ATOM 0 H LYS A 99 2.291 10.141 2.810 1.00 0.31 H new ATOM 0 HA LYS A 99 3.043 9.404 5.481 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.632 7.893 3.261 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.804 7.322 4.908 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.255 9.762 3.973 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.407 8.276 4.625 1.00 0.86 H new ATOM 0 HD2 LYS A 99 1.353 10.239 6.152 1.00 1.14 H new ATOM 0 HD3 LYS A 99 -0.389 10.117 6.297 1.00 1.14 H new ATOM 0 HE2 LYS A 99 1.545 7.850 6.921 1.00 1.52 H new ATOM 0 HE3 LYS A 99 0.884 8.941 8.123 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -0.392 6.931 8.067 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.359 8.195 7.473 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -0.667 7.078 6.397 1.00 1.44 H new ATOM 1537 N LEU A 100 4.575 8.123 2.882 1.00 0.33 N ATOM 1538 CA LEU A 100 5.726 7.354 2.423 1.00 0.35 C ATOM 1539 C LEU A 100 7.002 7.810 3.126 1.00 0.34 C ATOM 1540 O LEU A 100 7.754 6.994 3.663 1.00 0.35 O ATOM 1541 CB LEU A 100 5.876 7.513 0.907 1.00 0.42 C ATOM 1542 CG LEU A 100 6.969 6.667 0.251 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.606 5.189 0.280 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.209 7.129 -1.177 1.00 1.58 C ATOM 0 H LEU A 100 4.069 8.595 2.133 1.00 0.33 H new ATOM 0 HA LEU A 100 5.563 6.304 2.665 1.00 0.35 H new ATOM 0 HB2 LEU A 100 4.923 7.266 0.439 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.076 8.562 0.689 1.00 0.42 H new ATOM 0 HG LEU A 100 7.889 6.799 0.820 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.400 4.610 -0.193 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.486 4.864 1.313 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.672 5.033 -0.260 1.00 0.62 H new ATOM 0 HD21 LEU A 100 7.989 6.518 -1.631 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.288 7.028 -1.752 1.00 1.58 H new ATOM 0 HD23 LEU A 100 7.522 8.173 -1.174 1.00 1.58 H new ATOM 1556 N ALA A 101 7.223 9.122 3.139 1.00 0.33 N ATOM 1557 CA ALA A 101 8.392 9.701 3.791 1.00 0.36 C ATOM 1558 C ALA A 101 8.384 9.400 5.283 1.00 0.33 C ATOM 1559 O ALA A 101 9.433 9.225 5.906 1.00 0.35 O ATOM 1560 CB ALA A 101 8.428 11.203 3.561 1.00 0.41 C ATOM 0 H ALA A 101 6.604 9.806 2.703 1.00 0.33 H new ATOM 0 HA ALA A 101 9.285 9.252 3.356 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.305 11.625 4.052 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.478 11.406 2.491 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.527 11.656 3.975 1.00 0.41 H new ATOM 1566 N ALA A 102 7.184 9.308 5.834 1.00 0.32 N ATOM 1567 CA ALA A 102 7.008 9.073 7.255 1.00 0.33 C ATOM 1568 C ALA A 102 7.368 7.635 7.614 1.00 0.32 C ATOM 1569 O ALA A 102 7.988 7.381 8.649 1.00 0.35 O ATOM 1570 CB ALA A 102 5.580 9.390 7.669 1.00 0.35 C ATOM 0 H ALA A 102 6.312 9.394 5.312 1.00 0.32 H new ATOM 0 HA ALA A 102 7.681 9.735 7.800 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.462 9.209 8.737 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.362 10.436 7.452 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.891 8.753 7.115 1.00 0.35 H new ATOM 1576 N TRP A 103 6.994 6.702 6.745 1.00 0.30 N ATOM 1577 CA TRP A 103 7.257 5.288 6.980 1.00 0.32 C ATOM 1578 C TRP A 103 8.748 4.987 6.897 1.00 0.32 C ATOM 1579 O TRP A 103 9.271 4.211 7.700 1.00 0.34 O ATOM 1580 CB TRP A 103 6.495 4.413 5.978 1.00 0.33 C ATOM 1581 CG TRP A 103 5.004 4.525 6.096 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.275 4.653 7.243 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.060 4.503 5.022 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.937 4.726 6.943 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.780 4.636 5.587 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.176 4.387 3.636 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.624 4.660 4.814 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.029 4.411 2.869 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.766 4.547 3.460 1.00 0.44 C ATOM 0 H TRP A 103 6.507 6.900 5.871 1.00 0.30 H new ATOM 0 HA TRP A 103 6.908 5.054 7.986 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.793 4.690 4.967 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.785 3.372 6.123 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.690 4.691 8.240 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.182 4.830 7.621 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.146 4.280 3.172 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.649 4.764 5.268 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.106 4.323 1.795 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.887 4.563 2.833 1.00 0.44 H new ATOM 1600 N GLU A 104 9.430 5.606 5.933 1.00 0.34 N ATOM 1601 CA GLU A 104 10.860 5.385 5.750 1.00 0.38 C ATOM 1602 C GLU A 104 11.628 5.719 7.021 1.00 0.39 C ATOM 1603 O GLU A 104 12.396 4.901 7.534 1.00 0.41 O ATOM 1604 CB GLU A 104 11.409 6.240 4.605 1.00 0.42 C ATOM 1605 CG GLU A 104 10.854 5.899 3.232 1.00 0.45 C ATOM 1606 CD GLU A 104 11.562 6.669 2.139 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.143 7.809 1.842 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.562 6.152 1.590 1.00 0.52 O ATOM 0 H GLU A 104 9.015 6.261 5.271 1.00 0.34 H new ATOM 0 HA GLU A 104 10.993 4.330 5.509 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.195 7.287 4.818 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.494 6.135 4.579 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.960 4.829 3.051 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.788 6.123 3.204 1.00 0.45 H new ATOM 1615 N ASN A 105 11.389 6.916 7.536 1.00 0.41 N ATOM 1616 CA ASN A 105 12.104 7.407 8.706 1.00 0.47 C ATOM 1617 C ASN A 105 11.693 6.679 9.979 1.00 0.46 C ATOM 1618 O ASN A 105 12.488 6.554 10.908 1.00 0.50 O ATOM 1619 CB ASN A 105 11.884 8.913 8.864 1.00 0.53 C ATOM 1620 CG ASN A 105 12.647 9.715 7.824 1.00 1.24 C ATOM 1621 OD1 ASN A 105 13.863 10.126 8.155 1.00 2.01 O flip ATOM 1622 ND2 ASN A 105 12.147 9.961 6.726 1.00 1.70 N flip ATOM 0 H ASN A 105 10.701 7.569 7.160 1.00 0.41 H new ATOM 0 HA ASN A 105 13.164 7.209 8.547 1.00 0.47 H new ATOM 0 HB2 ASN A 105 10.820 9.134 8.782 1.00 0.53 H new ATOM 0 HB3 ASN A 105 12.198 9.222 9.861 1.00 0.53 H new ATOM 0 HD21 ASN A 105 11.208 9.628 6.507 1.00 1.70 H new ATOM 0 HD22 ASN A 105 12.672 10.498 6.035 1.00 1.70 H new ATOM 1629 N ALA A 106 10.460 6.197 10.025 1.00 0.45 N ATOM 1630 CA ALA A 106 9.955 5.541 11.223 1.00 0.48 C ATOM 1631 C ALA A 106 10.391 4.081 11.306 1.00 0.50 C ATOM 1632 O ALA A 106 10.865 3.623 12.344 1.00 0.66 O ATOM 1633 CB ALA A 106 8.438 5.633 11.281 1.00 0.52 C ATOM 0 H ALA A 106 9.795 6.247 9.253 1.00 0.45 H new ATOM 0 HA ALA A 106 10.383 6.063 12.079 1.00 0.48 H new ATOM 0 HB1 ALA A 106 8.078 5.138 12.183 1.00 0.52 H new ATOM 0 HB2 ALA A 106 8.137 6.681 11.298 1.00 0.52 H new ATOM 0 HB3 ALA A 106 8.010 5.147 10.404 1.00 0.52 H new ATOM 1639 N ARG A 107 10.241 3.349 10.211 1.00 0.43 N ATOM 1640 CA ARG A 107 10.464 1.907 10.239 1.00 0.47 C ATOM 1641 C ARG A 107 11.846 1.518 9.734 1.00 0.48 C ATOM 1642 O ARG A 107 12.152 0.332 9.601 1.00 0.56 O ATOM 1643 CB ARG A 107 9.392 1.182 9.423 1.00 0.51 C ATOM 1644 CG ARG A 107 7.977 1.378 9.951 1.00 0.59 C ATOM 1645 CD ARG A 107 7.852 0.959 11.414 1.00 0.72 C ATOM 1646 NE ARG A 107 8.355 -0.396 11.641 1.00 0.81 N ATOM 1647 CZ ARG A 107 7.584 -1.440 11.933 1.00 1.10 C ATOM 1648 NH1 ARG A 107 6.268 -1.294 12.048 1.00 1.35 N ATOM 1649 NH2 ARG A 107 8.134 -2.631 12.121 1.00 1.26 N ATOM 0 H ARG A 107 9.969 3.722 9.302 1.00 0.43 H new ATOM 0 HA ARG A 107 10.400 1.602 11.283 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.436 1.532 8.392 1.00 0.51 H new ATOM 0 HB3 ARG A 107 9.619 0.116 9.408 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.693 2.425 9.848 1.00 0.59 H new ATOM 0 HG3 ARG A 107 7.280 0.798 9.346 1.00 0.59 H new ATOM 0 HD2 ARG A 107 8.404 1.660 12.040 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.807 1.014 11.719 1.00 0.72 H new ATOM 0 HE ARG A 107 9.361 -0.550 11.571 1.00 0.81 H new ATOM 0 HH11 ARG A 107 5.843 -0.377 11.912 1.00 1.35 H new ATOM 0 HH12 ARG A 107 5.683 -2.099 12.272 1.00 1.35 H new ATOM 0 HH21 ARG A 107 9.145 -2.744 12.042 1.00 1.26 H new ATOM 0 HH22 ARG A 107 7.547 -3.434 12.345 1.00 1.26 H new ATOM 1663 N GLY A 108 12.680 2.515 9.469 1.00 0.45 N ATOM 1664 CA GLY A 108 14.024 2.245 8.993 1.00 0.49 C ATOM 1665 C GLY A 108 14.012 1.624 7.613 1.00 0.46 C ATOM 1666 O GLY A 108 14.676 0.619 7.364 1.00 0.50 O ATOM 0 H GLY A 108 12.451 3.503 9.575 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.596 3.173 8.970 1.00 0.49 H new ATOM 0 HA3 GLY A 108 14.530 1.576 9.689 1.00 0.49 H new ATOM 1670 N VAL A 109 13.258 2.237 6.720 1.00 0.42 N ATOM 1671 CA VAL A 109 13.101 1.726 5.370 1.00 0.41 C ATOM 1672 C VAL A 109 13.748 2.694 4.390 1.00 0.43 C ATOM 1673 O VAL A 109 13.537 3.902 4.479 1.00 0.46 O ATOM 1674 CB VAL A 109 11.607 1.520 5.006 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.447 1.048 3.568 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.952 0.529 5.957 1.00 0.43 C ATOM 0 H VAL A 109 12.741 3.096 6.907 1.00 0.42 H new ATOM 0 HA VAL A 109 13.590 0.753 5.312 1.00 0.41 H new ATOM 0 HB VAL A 109 11.109 2.485 5.105 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.389 0.913 3.345 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.869 1.792 2.892 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.969 0.100 3.436 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.905 0.400 5.683 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.465 -0.431 5.893 1.00 0.43 H new ATOM 0 HG23 VAL A 109 11.016 0.907 6.977 1.00 0.43 H new ATOM 1686 N ASP A 110 14.556 2.174 3.479 1.00 0.44 N ATOM 1687 CA ASP A 110 15.253 3.018 2.522 1.00 0.49 C ATOM 1688 C ASP A 110 15.204 2.393 1.137 1.00 0.54 C ATOM 1689 O ASP A 110 15.807 1.348 0.894 1.00 0.57 O ATOM 1690 CB ASP A 110 16.706 3.233 2.953 1.00 0.53 C ATOM 1691 CG ASP A 110 17.412 4.254 2.087 1.00 0.62 C ATOM 1692 OD1 ASP A 110 17.221 5.468 2.316 1.00 0.84 O ATOM 1693 OD2 ASP A 110 18.150 3.853 1.164 1.00 0.79 O ATOM 0 H ASP A 110 14.745 1.176 3.382 1.00 0.44 H new ATOM 0 HA ASP A 110 14.755 3.987 2.489 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.731 3.561 3.992 1.00 0.53 H new ATOM 0 HB3 ASP A 110 17.242 2.285 2.905 1.00 0.53 H new ATOM 1698 N PHE A 111 14.476 3.033 0.231 1.00 0.60 N ATOM 1699 CA PHE A 111 14.267 2.488 -1.105 1.00 0.68 C ATOM 1700 C PHE A 111 15.492 2.672 -1.997 1.00 0.77 C ATOM 1701 O PHE A 111 15.585 2.064 -3.065 1.00 0.90 O ATOM 1702 CB PHE A 111 13.027 3.116 -1.739 1.00 0.73 C ATOM 1703 CG PHE A 111 11.759 2.733 -1.029 1.00 0.66 C ATOM 1704 CD1 PHE A 111 11.093 1.558 -1.345 1.00 0.72 C ATOM 1705 CD2 PHE A 111 11.222 3.560 -0.055 1.00 0.62 C ATOM 1706 CE1 PHE A 111 9.916 1.218 -0.704 1.00 0.71 C ATOM 1707 CE2 PHE A 111 10.049 3.223 0.591 1.00 0.61 C ATOM 1708 CZ PHE A 111 9.433 1.995 0.306 1.00 0.62 C ATOM 0 H PHE A 111 14.020 3.930 0.397 1.00 0.60 H new ATOM 0 HA PHE A 111 14.108 1.414 -1.007 1.00 0.68 H new ATOM 0 HB2 PHE A 111 13.130 4.201 -1.732 1.00 0.73 H new ATOM 0 HB3 PHE A 111 12.962 2.809 -2.783 1.00 0.73 H new ATOM 0 HD1 PHE A 111 11.498 0.901 -2.100 1.00 0.72 H new ATOM 0 HD2 PHE A 111 11.727 4.479 0.202 1.00 0.62 H new ATOM 0 HE1 PHE A 111 9.377 0.332 -1.005 1.00 0.71 H new ATOM 0 HE2 PHE A 111 9.609 3.899 1.310 1.00 0.61 H new ATOM 0 HZ PHE A 111 8.581 1.668 0.884 1.00 0.62 H new ATOM 1718 N GLY A 112 16.431 3.499 -1.558 1.00 0.76 N ATOM 1719 CA GLY A 112 17.677 3.646 -2.283 1.00 0.84 C ATOM 1720 C GLY A 112 18.590 2.461 -2.056 1.00 0.79 C ATOM 1721 O GLY A 112 19.168 1.915 -2.995 1.00 0.89 O ATOM 0 H GLY A 112 16.353 4.069 -0.716 1.00 0.76 H new ATOM 0 HA2 GLY A 112 17.470 3.749 -3.348 1.00 0.84 H new ATOM 0 HA3 GLY A 112 18.179 4.560 -1.966 1.00 0.84 H new ATOM 1725 N SER A 113 18.703 2.053 -0.800 1.00 0.71 N ATOM 1726 CA SER A 113 19.515 0.904 -0.435 1.00 0.70 C ATOM 1727 C SER A 113 18.762 -0.394 -0.723 1.00 0.68 C ATOM 1728 O SER A 113 19.361 -1.466 -0.836 1.00 0.72 O ATOM 1729 CB SER A 113 19.887 0.987 1.047 1.00 0.71 C ATOM 1730 OG SER A 113 20.365 2.285 1.374 1.00 1.38 O ATOM 0 H SER A 113 18.238 2.505 -0.013 1.00 0.71 H new ATOM 0 HA SER A 113 20.427 0.909 -1.032 1.00 0.70 H new ATOM 0 HB2 SER A 113 19.017 0.750 1.659 1.00 0.71 H new ATOM 0 HB3 SER A 113 20.651 0.244 1.277 1.00 0.71 H new ATOM 0 HG SER A 113 19.608 2.903 1.448 1.00 1.38 H new ATOM 1736 N ARG A 114 17.436 -0.267 -0.849 1.00 0.68 N ATOM 1737 CA ARG A 114 16.550 -1.389 -1.157 1.00 0.75 C ATOM 1738 C ARG A 114 16.553 -2.421 -0.034 1.00 0.68 C ATOM 1739 O ARG A 114 16.261 -3.597 -0.248 1.00 0.72 O ATOM 1740 CB ARG A 114 16.926 -2.028 -2.497 1.00 0.91 C ATOM 1741 CG ARG A 114 16.613 -1.140 -3.691 1.00 1.10 C ATOM 1742 CD ARG A 114 17.032 -1.781 -5.004 1.00 1.31 C ATOM 1743 NE ARG A 114 18.486 -1.808 -5.172 1.00 1.48 N ATOM 1744 CZ ARG A 114 19.106 -2.400 -6.196 1.00 1.92 C ATOM 1745 NH1 ARG A 114 18.406 -3.058 -7.110 1.00 2.13 N ATOM 1746 NH2 ARG A 114 20.428 -2.336 -6.300 1.00 2.70 N ATOM 0 H ARG A 114 16.948 0.622 -0.739 1.00 0.68 H new ATOM 0 HA ARG A 114 15.535 -1.000 -1.243 1.00 0.75 H new ATOM 0 HB2 ARG A 114 17.991 -2.262 -2.495 1.00 0.91 H new ATOM 0 HB3 ARG A 114 16.393 -2.972 -2.605 1.00 0.91 H new ATOM 0 HG2 ARG A 114 15.544 -0.929 -3.716 1.00 1.10 H new ATOM 0 HG3 ARG A 114 17.124 -0.184 -3.575 1.00 1.10 H new ATOM 0 HD2 ARG A 114 16.645 -2.799 -5.048 1.00 1.31 H new ATOM 0 HD3 ARG A 114 16.583 -1.233 -5.832 1.00 1.31 H new ATOM 0 HE ARG A 114 19.059 -1.347 -4.465 1.00 1.48 H new ATOM 0 HH11 ARG A 114 17.390 -3.113 -7.032 1.00 2.13 H new ATOM 0 HH12 ARG A 114 18.883 -3.509 -7.891 1.00 2.13 H new ATOM 0 HH21 ARG A 114 20.971 -1.834 -5.597 1.00 2.70 H new ATOM 0 HH22 ARG A 114 20.901 -2.789 -7.083 1.00 2.70 H new ATOM 1760 N THR A 115 16.862 -1.955 1.166 1.00 0.60 N ATOM 1761 CA THR A 115 16.895 -2.800 2.345 1.00 0.57 C ATOM 1762 C THR A 115 16.136 -2.131 3.489 1.00 0.52 C ATOM 1763 O THR A 115 15.634 -1.012 3.337 1.00 0.53 O ATOM 1764 CB THR A 115 18.348 -3.076 2.783 1.00 0.63 C ATOM 1765 OG1 THR A 115 19.094 -1.851 2.826 1.00 0.80 O ATOM 1766 CG2 THR A 115 19.028 -4.053 1.835 1.00 0.78 C ATOM 0 H THR A 115 17.097 -0.979 1.348 1.00 0.60 H new ATOM 0 HA THR A 115 16.419 -3.749 2.097 1.00 0.57 H new ATOM 0 HB THR A 115 18.320 -3.519 3.778 1.00 0.63 H new ATOM 0 HG1 THR A 115 20.014 -2.038 3.107 1.00 0.80 H new ATOM 0 HG21 THR A 115 20.051 -4.230 2.167 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.480 -4.995 1.829 1.00 0.78 H new ATOM 0 HG23 THR A 115 19.040 -3.635 0.829 1.00 0.78 H new ATOM 1774 N GLN A 116 16.060 -2.801 4.630 1.00 0.50 N ATOM 1775 CA GLN A 116 15.368 -2.249 5.784 1.00 0.51 C ATOM 1776 C GLN A 116 16.098 -2.602 7.074 1.00 0.54 C ATOM 1777 O GLN A 116 16.734 -3.654 7.179 1.00 0.55 O ATOM 1778 CB GLN A 116 13.917 -2.750 5.841 1.00 0.50 C ATOM 1779 CG GLN A 116 13.779 -4.265 5.864 1.00 0.45 C ATOM 1780 CD GLN A 116 12.356 -4.713 6.151 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.616 -4.039 6.863 1.00 1.21 O ATOM 1782 NE2 GLN A 116 11.956 -5.845 5.593 1.00 1.00 N ATOM 0 H GLN A 116 16.467 -3.724 4.781 1.00 0.50 H new ATOM 0 HA GLN A 116 15.356 -1.164 5.680 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.438 -2.340 6.730 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.376 -2.360 4.979 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.098 -4.671 4.904 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.446 -4.676 6.621 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.598 -6.379 5.007 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.006 -6.183 5.749 1.00 1.00 H new ATOM 1791 N ALA A 117 16.017 -1.699 8.044 1.00 0.62 N ATOM 1792 CA ALA A 117 16.639 -1.901 9.343 1.00 0.68 C ATOM 1793 C ALA A 117 15.770 -2.789 10.222 1.00 0.68 C ATOM 1794 O ALA A 117 16.235 -3.348 11.215 1.00 0.84 O ATOM 1795 CB ALA A 117 16.888 -0.564 10.024 1.00 0.83 C ATOM 0 H ALA A 117 15.521 -0.812 7.952 1.00 0.62 H new ATOM 0 HA ALA A 117 17.597 -2.399 9.192 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.354 -0.731 10.995 1.00 0.83 H new ATOM 0 HB2 ALA A 117 17.549 0.042 9.404 1.00 0.83 H new ATOM 0 HB3 ALA A 117 15.940 -0.043 10.161 1.00 0.83 H new ATOM 1801 N ASP A 118 14.506 -2.915 9.844 1.00 0.69 N ATOM 1802 CA ASP A 118 13.565 -3.752 10.579 1.00 0.73 C ATOM 1803 C ASP A 118 13.646 -5.183 10.057 1.00 0.67 C ATOM 1804 O ASP A 118 14.292 -5.438 9.038 1.00 0.67 O ATOM 1805 CB ASP A 118 12.136 -3.217 10.423 1.00 0.81 C ATOM 1806 CG ASP A 118 11.246 -3.539 11.612 1.00 0.81 C ATOM 1807 OD1 ASP A 118 10.934 -4.734 11.817 1.00 1.07 O ATOM 1808 OD2 ASP A 118 10.859 -2.611 12.347 1.00 1.04 O ATOM 0 H ASP A 118 14.106 -2.447 9.030 1.00 0.69 H new ATOM 0 HA ASP A 118 13.825 -3.735 11.637 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.172 -2.136 10.286 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.693 -3.638 9.521 1.00 0.81 H new ATOM 1813 N ALA A 119 13.007 -6.115 10.741 1.00 0.72 N ATOM 1814 CA ALA A 119 12.981 -7.497 10.288 1.00 0.73 C ATOM 1815 C ALA A 119 11.988 -7.648 9.146 1.00 0.66 C ATOM 1816 O ALA A 119 12.257 -8.323 8.148 1.00 0.73 O ATOM 1817 CB ALA A 119 12.621 -8.431 11.433 1.00 0.91 C ATOM 0 H ALA A 119 12.500 -5.943 11.609 1.00 0.72 H new ATOM 0 HA ALA A 119 13.975 -7.767 9.931 1.00 0.73 H new ATOM 0 HB1 ALA A 119 12.607 -9.460 11.073 1.00 0.91 H new ATOM 0 HB2 ALA A 119 13.361 -8.335 12.227 1.00 0.91 H new ATOM 0 HB3 ALA A 119 11.636 -8.169 11.821 1.00 0.91 H new ATOM 1823 N LEU A 120 10.847 -6.995 9.304 1.00 0.69 N ATOM 1824 CA LEU A 120 9.792 -7.004 8.310 1.00 0.63 C ATOM 1825 C LEU A 120 8.814 -5.887 8.640 1.00 0.57 C ATOM 1826 O LEU A 120 8.530 -5.639 9.812 1.00 0.65 O ATOM 1827 CB LEU A 120 9.075 -8.360 8.303 1.00 0.73 C ATOM 1828 CG LEU A 120 8.006 -8.538 7.222 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.616 -8.415 5.835 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.313 -9.879 7.382 1.00 1.00 C ATOM 0 H LEU A 120 10.628 -6.441 10.132 1.00 0.69 H new ATOM 0 HA LEU A 120 10.215 -6.846 7.318 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.822 -9.145 8.183 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.609 -8.510 9.277 1.00 0.73 H new ATOM 0 HG LEU A 120 7.265 -7.747 7.338 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.838 -8.545 5.083 1.00 0.89 H new ATOM 0 HD12 LEU A 120 9.069 -7.430 5.723 1.00 0.89 H new ATOM 0 HD13 LEU A 120 9.379 -9.182 5.704 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.555 -9.992 6.607 1.00 1.00 H new ATOM 0 HD22 LEU A 120 8.046 -10.680 7.292 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.839 -9.929 8.362 1.00 1.00 H new ATOM 1842 N VAL A 121 8.301 -5.208 7.625 1.00 0.50 N ATOM 1843 CA VAL A 121 7.440 -4.068 7.861 1.00 0.47 C ATOM 1844 C VAL A 121 6.042 -4.302 7.278 1.00 0.39 C ATOM 1845 O VAL A 121 5.767 -4.038 6.106 1.00 0.33 O ATOM 1846 CB VAL A 121 8.080 -2.760 7.324 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.492 -2.890 5.865 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.148 -1.575 7.528 1.00 0.50 C ATOM 0 H VAL A 121 8.466 -5.426 6.642 1.00 0.50 H new ATOM 0 HA VAL A 121 7.325 -3.950 8.939 1.00 0.47 H new ATOM 0 HB VAL A 121 8.988 -2.580 7.900 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.936 -1.953 5.527 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.221 -3.694 5.763 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.615 -3.116 5.258 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.620 -0.671 7.143 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.213 -1.751 6.996 1.00 0.50 H new ATOM 0 HG23 VAL A 121 6.942 -1.453 8.591 1.00 0.50 H new ATOM 1858 N LEU A 122 5.172 -4.848 8.112 1.00 0.41 N ATOM 1859 CA LEU A 122 3.782 -5.063 7.745 1.00 0.39 C ATOM 1860 C LEU A 122 2.919 -4.020 8.438 1.00 0.42 C ATOM 1861 O LEU A 122 2.701 -4.090 9.649 1.00 0.73 O ATOM 1862 CB LEU A 122 3.330 -6.471 8.154 1.00 0.50 C ATOM 1863 CG LEU A 122 4.217 -7.624 7.667 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.672 -8.960 8.148 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.333 -7.619 6.151 1.00 0.46 C ATOM 0 H LEU A 122 5.407 -5.153 9.056 1.00 0.41 H new ATOM 0 HA LEU A 122 3.678 -4.970 6.664 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.276 -6.513 9.242 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.319 -6.631 7.778 1.00 0.50 H new ATOM 0 HG LEU A 122 5.212 -7.481 8.087 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.315 -9.765 7.792 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.646 -8.971 9.238 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.664 -9.103 7.760 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.967 -8.446 5.832 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.342 -7.730 5.710 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.773 -6.677 5.823 1.00 0.46 H new ATOM 1877 N LEU A 123 2.444 -3.048 7.680 1.00 0.24 N ATOM 1878 CA LEU A 123 1.714 -1.927 8.253 1.00 0.24 C ATOM 1879 C LEU A 123 0.212 -2.160 8.197 1.00 0.24 C ATOM 1880 O LEU A 123 -0.393 -2.155 7.124 1.00 0.25 O ATOM 1881 CB LEU A 123 2.058 -0.624 7.522 1.00 0.26 C ATOM 1882 CG LEU A 123 3.540 -0.250 7.490 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.735 1.076 6.771 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.115 -0.176 8.896 1.00 0.37 C ATOM 0 H LEU A 123 2.550 -3.011 6.666 1.00 0.24 H new ATOM 0 HA LEU A 123 2.015 -1.842 9.297 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.700 -0.700 6.495 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.507 0.191 7.992 1.00 0.26 H new ATOM 0 HG LEU A 123 4.074 -1.029 6.945 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.795 1.329 6.756 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.367 0.993 5.748 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.183 1.857 7.293 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.170 0.092 8.844 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.577 0.579 9.470 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.010 -1.145 9.383 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.378 -2.373 9.361 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.812 -2.507 9.456 1.00 0.28 C ATOM 1898 C GLY A 124 -2.410 -1.405 10.298 1.00 0.30 C ATOM 1899 O GLY A 124 -1.685 -0.698 10.998 1.00 0.34 O ATOM 0 H GLY A 124 0.117 -2.456 10.249 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.249 -2.483 8.458 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -2.061 -3.475 9.890 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.723 -1.252 10.239 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.380 -0.211 11.006 1.00 0.36 C ATOM 1905 C GLY A 125 -4.263 1.156 10.365 1.00 0.35 C ATOM 1906 O GLY A 125 -4.494 2.173 11.019 1.00 0.40 O ATOM 0 H GLY A 125 -4.347 -1.829 9.675 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.434 -0.463 11.123 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -3.948 -0.176 12.006 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.897 1.187 9.093 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.794 2.445 8.368 1.00 0.31 C ATOM 1912 C LEU A 126 -5.176 2.967 7.996 1.00 0.33 C ATOM 1913 O LEU A 126 -6.123 2.195 7.835 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.932 2.289 7.109 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.423 2.464 7.308 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.872 1.435 8.281 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.705 2.368 5.972 1.00 0.39 C ATOM 0 H LEU A 126 -3.667 0.360 8.543 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.312 3.168 9.026 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.112 1.299 6.689 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.268 3.015 6.369 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.250 3.452 7.734 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.201 1.586 8.401 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.364 1.547 9.247 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.057 0.433 7.894 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.367 2.494 6.125 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -0.896 1.392 5.526 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.070 3.149 5.306 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.277 4.276 7.852 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.543 4.920 7.531 1.00 0.41 C ATOM 1931 C ASP A 127 -6.357 5.815 6.318 1.00 0.39 C ATOM 1932 O ASP A 127 -5.226 6.096 5.917 1.00 0.45 O ATOM 1933 CB ASP A 127 -7.052 5.757 8.715 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.278 4.937 9.970 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.302 4.222 10.038 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.430 4.986 10.885 1.00 1.11 O ATOM 0 H ASP A 127 -4.493 4.920 7.953 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.281 4.147 7.316 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.333 6.547 8.929 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.986 6.244 8.433 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.459 6.274 5.747 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.410 7.123 4.563 1.00 0.42 C ATOM 1943 C PHE A 128 -7.526 8.589 4.952 1.00 0.49 C ATOM 1944 O PHE A 128 -8.055 9.405 4.201 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.514 6.740 3.573 1.00 0.48 C ATOM 1946 CG PHE A 128 -8.161 5.567 2.697 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.328 4.265 3.145 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -7.652 5.769 1.423 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -7.999 3.192 2.339 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -7.320 4.699 0.614 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.493 3.408 1.073 1.00 0.58 C ATOM 0 H PHE A 128 -8.401 6.074 6.083 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.447 6.971 4.075 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.423 6.507 4.128 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.738 7.600 2.941 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -8.720 4.088 4.136 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -7.513 6.776 1.058 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -8.138 2.184 2.700 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.926 4.872 -0.376 1.00 0.55 H new ATOM 0 HZ PHE A 128 -7.233 2.570 0.443 1.00 0.58 H new ATOM 1961 N GLU A 129 -7.023 8.911 6.132 1.00 0.52 N ATOM 1962 CA GLU A 129 -7.033 10.278 6.623 1.00 0.63 C ATOM 1963 C GLU A 129 -5.942 11.084 5.925 1.00 0.64 C ATOM 1964 O GLU A 129 -4.750 10.836 6.123 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.824 10.297 8.139 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.937 11.679 8.757 1.00 1.58 C ATOM 1967 CD GLU A 129 -6.672 11.669 10.246 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -5.500 11.831 10.647 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -7.637 11.501 11.023 1.00 3.00 O ATOM 0 H GLU A 129 -6.600 8.238 6.771 1.00 0.52 H new ATOM 0 HA GLU A 129 -8.001 10.729 6.403 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -7.558 9.640 8.606 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.840 9.887 8.366 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -6.230 12.351 8.270 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -7.935 12.077 8.571 1.00 1.58 H new ATOM 1976 N ALA A 130 -6.352 12.034 5.100 1.00 0.73 N ATOM 1977 CA ALA A 130 -5.417 12.838 4.334 1.00 0.92 C ATOM 1978 C ALA A 130 -5.375 14.265 4.861 1.00 1.47 C ATOM 1979 O ALA A 130 -4.489 14.570 5.685 1.00 1.77 O ATOM 1980 CB ALA A 130 -5.795 12.822 2.863 1.00 0.97 C ATOM 1981 OXT ALA A 130 -6.238 15.078 4.461 1.00 2.26 O ATOM 0 H ALA A 130 -7.333 12.267 4.944 1.00 0.73 H new ATOM 0 HA ALA A 130 -4.421 12.408 4.443 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -5.087 13.428 2.299 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -5.771 11.797 2.492 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -6.799 13.229 2.741 1.00 0.97 H new TER 1987 ALA A 130