USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 19:sc= 2.26 USER MOD Set 1.2: A 48 THR OG1 : rot -16:sc= 1.2 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0543 (180deg=-0.395) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00205 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 27 SER OG : rot 180:sc= -1.13 USER MOD Single : A 40 TYR OH : rot -148:sc= -0.863! USER MOD Single : A 46 MET CE :methyl 157:sc= -0.315 (180deg=-1.03) USER MOD Single : A 54 SER OG : rot -84:sc= 1.19 USER MOD Single : A 56 TYR OH : rot -155:sc= 1.26 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.564 F(o=-2,f=-0.56) USER MOD Single : A 87 PSR O33 : rot -114:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.160 9.992 8.328 1.00 3.26 N ATOM 2 CA MET A 1 18.789 8.694 8.097 1.00 3.05 C ATOM 3 C MET A 1 18.322 8.131 6.764 1.00 2.56 C ATOM 4 O MET A 1 19.130 7.869 5.868 1.00 2.94 O ATOM 5 CB MET A 1 18.461 7.723 9.244 1.00 3.74 C ATOM 6 CG MET A 1 19.020 6.319 9.056 1.00 4.31 C ATOM 7 SD MET A 1 18.572 5.194 10.396 1.00 5.28 S ATOM 8 CE MET A 1 19.432 5.945 11.780 1.00 5.97 C ATOM 0 H1 MET A 1 18.480 10.376 9.240 1.00 3.26 H new ATOM 0 H2 MET A 1 18.425 10.647 7.565 1.00 3.26 H new ATOM 0 H3 MET A 1 17.126 9.879 8.344 1.00 3.26 H new ATOM 0 HA MET A 1 19.871 8.823 8.066 1.00 3.05 H new ATOM 0 HB2 MET A 1 18.850 8.135 10.175 1.00 3.74 H new ATOM 0 HB3 MET A 1 17.378 7.659 9.352 1.00 3.74 H new ATOM 0 HG2 MET A 1 18.657 5.913 8.112 1.00 4.31 H new ATOM 0 HG3 MET A 1 20.106 6.373 8.983 1.00 4.31 H new ATOM 0 HE1 MET A 1 19.492 5.231 12.602 1.00 5.97 H new ATOM 0 HE2 MET A 1 20.438 6.230 11.472 1.00 5.97 H new ATOM 0 HE3 MET A 1 18.889 6.831 12.108 1.00 5.97 H new ATOM 20 N ALA A 2 17.028 7.978 6.620 1.00 2.10 N ATOM 21 CA ALA A 2 16.460 7.444 5.419 1.00 1.73 C ATOM 22 C ALA A 2 15.407 8.386 4.898 1.00 1.51 C ATOM 23 O ALA A 2 14.830 9.164 5.665 1.00 1.50 O ATOM 24 CB ALA A 2 15.842 6.078 5.696 1.00 1.60 C ATOM 0 H ALA A 2 16.344 8.222 7.336 1.00 2.10 H new ATOM 0 HA ALA A 2 17.245 7.330 4.671 1.00 1.73 H new ATOM 0 HB1 ALA A 2 15.413 5.680 4.777 1.00 1.60 H new ATOM 0 HB2 ALA A 2 16.611 5.398 6.061 1.00 1.60 H new ATOM 0 HB3 ALA A 2 15.060 6.178 6.448 1.00 1.60 H new ATOM 30 N THR A 3 15.170 8.339 3.627 1.00 1.47 N ATOM 31 CA THR A 3 14.126 9.104 3.031 1.00 1.37 C ATOM 32 C THR A 3 13.128 8.082 2.474 1.00 1.07 C ATOM 33 O THR A 3 13.396 7.360 1.506 1.00 1.10 O ATOM 34 CB THR A 3 14.718 10.083 1.933 1.00 1.63 C ATOM 35 OG1 THR A 3 13.708 10.934 1.343 1.00 2.22 O ATOM 36 CG2 THR A 3 15.502 9.357 0.835 1.00 2.02 C ATOM 0 H THR A 3 15.699 7.765 2.970 1.00 1.47 H new ATOM 0 HA THR A 3 13.619 9.757 3.741 1.00 1.37 H new ATOM 0 HB THR A 3 15.421 10.715 2.476 1.00 1.63 H new ATOM 0 HG1 THR A 3 14.123 11.519 0.675 1.00 2.22 H new ATOM 0 HG21 THR A 3 15.880 10.084 0.116 1.00 2.02 H new ATOM 0 HG22 THR A 3 16.339 8.819 1.281 1.00 2.02 H new ATOM 0 HG23 THR A 3 14.846 8.651 0.326 1.00 2.02 H new ATOM 44 N LEU A 4 12.025 7.954 3.147 1.00 0.91 N ATOM 45 CA LEU A 4 11.062 6.947 2.809 1.00 0.65 C ATOM 46 C LEU A 4 9.724 7.559 2.454 1.00 0.63 C ATOM 47 O LEU A 4 9.558 8.786 2.495 1.00 0.84 O ATOM 48 CB LEU A 4 10.925 5.963 3.976 1.00 0.62 C ATOM 49 CG LEU A 4 12.211 5.221 4.380 1.00 0.65 C ATOM 50 CD1 LEU A 4 11.973 4.371 5.611 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.723 4.359 3.233 1.00 0.51 C ATOM 0 H LEU A 4 11.767 8.540 3.941 1.00 0.91 H new ATOM 0 HA LEU A 4 11.411 6.410 1.927 1.00 0.65 H new ATOM 0 HB2 LEU A 4 10.554 6.508 4.844 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.168 5.223 3.716 1.00 0.62 H new ATOM 0 HG LEU A 4 12.971 5.967 4.615 1.00 0.65 H new ATOM 0 HD11 LEU A 4 12.894 3.855 5.880 1.00 0.80 H new ATOM 0 HD12 LEU A 4 11.659 5.008 6.438 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.194 3.638 5.402 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.633 3.844 3.543 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.964 3.624 2.963 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.939 4.991 2.371 1.00 0.51 H new ATOM 63 N LEU A 5 8.790 6.707 2.096 1.00 0.44 N ATOM 64 CA LEU A 5 7.461 7.123 1.702 1.00 0.40 C ATOM 65 C LEU A 5 6.678 7.585 2.895 1.00 0.35 C ATOM 66 O LEU A 5 6.617 6.886 3.912 1.00 0.41 O ATOM 67 CB LEU A 5 6.707 5.968 1.045 1.00 0.41 C ATOM 68 CG LEU A 5 7.316 5.398 -0.216 1.00 0.59 C ATOM 69 CD1 LEU A 5 6.460 4.264 -0.755 1.00 0.72 C ATOM 70 CD2 LEU A 5 7.465 6.482 -1.244 1.00 0.81 C ATOM 0 H LEU A 5 8.932 5.697 2.070 1.00 0.44 H new ATOM 0 HA LEU A 5 7.569 7.942 0.992 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.614 5.163 1.774 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.697 6.307 0.814 1.00 0.41 H new ATOM 0 HG LEU A 5 8.302 4.997 0.018 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.913 3.866 -1.663 1.00 0.72 H new ATOM 0 HD12 LEU A 5 6.390 3.474 -0.007 1.00 0.72 H new ATOM 0 HD13 LEU A 5 5.462 4.638 -0.982 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.904 6.066 -2.151 1.00 0.81 H new ATOM 0 HD22 LEU A 5 6.486 6.902 -1.475 1.00 0.81 H new ATOM 0 HD23 LEU A 5 8.113 7.267 -0.854 1.00 0.81 H new ATOM 82 N THR A 6 6.098 8.734 2.786 1.00 0.37 N ATOM 83 CA THR A 6 5.274 9.250 3.824 1.00 0.42 C ATOM 84 C THR A 6 3.812 9.004 3.465 1.00 0.35 C ATOM 85 O THR A 6 3.527 8.405 2.407 1.00 0.34 O ATOM 86 CB THR A 6 5.533 10.754 4.019 1.00 0.59 C ATOM 87 OG1 THR A 6 5.346 11.422 2.763 1.00 0.65 O ATOM 88 CG2 THR A 6 6.956 10.995 4.510 1.00 0.72 C ATOM 0 H THR A 6 6.183 9.342 1.972 1.00 0.37 H new ATOM 0 HA THR A 6 5.509 8.744 4.760 1.00 0.42 H new ATOM 0 HB THR A 6 4.838 11.142 4.764 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.507 12.382 2.876 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.119 12.065 4.642 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.104 10.485 5.462 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.664 10.607 3.778 1.00 0.72 H new ATOM 96 N THR A 7 2.897 9.451 4.310 1.00 0.40 N ATOM 97 CA THR A 7 1.480 9.321 4.071 1.00 0.43 C ATOM 98 C THR A 7 1.095 9.946 2.721 1.00 0.41 C ATOM 99 O THR A 7 0.334 9.360 1.959 1.00 0.43 O ATOM 100 CB THR A 7 0.706 10.006 5.193 1.00 0.58 C ATOM 101 OG1 THR A 7 1.283 9.611 6.452 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.758 9.585 5.158 1.00 0.66 C ATOM 0 H THR A 7 3.126 9.918 5.188 1.00 0.40 H new ATOM 0 HA THR A 7 1.229 8.261 4.046 1.00 0.43 H new ATOM 0 HB THR A 7 0.763 11.087 5.068 1.00 0.58 H new ATOM 0 HG1 THR A 7 0.798 10.044 7.185 1.00 0.69 H new ATOM 0 HG21 THR A 7 -1.299 10.081 5.964 1.00 0.66 H new ATOM 0 HG22 THR A 7 -1.195 9.867 4.200 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.829 8.505 5.285 1.00 0.66 H new ATOM 110 N ASP A 8 1.669 11.119 2.433 1.00 0.44 N ATOM 111 CA ASP A 8 1.376 11.881 1.210 1.00 0.51 C ATOM 112 C ASP A 8 1.601 11.074 -0.036 1.00 0.47 C ATOM 113 O ASP A 8 0.702 10.946 -0.871 1.00 0.52 O ATOM 114 CB ASP A 8 2.199 13.174 1.136 1.00 0.63 C ATOM 115 CG ASP A 8 1.685 14.251 2.047 1.00 1.46 C ATOM 116 OD1 ASP A 8 1.914 14.176 3.264 1.00 2.38 O ATOM 117 OD2 ASP A 8 1.027 15.190 1.555 1.00 1.63 O ATOM 0 H ASP A 8 2.352 11.570 3.042 1.00 0.44 H new ATOM 0 HA ASP A 8 0.318 12.136 1.265 1.00 0.51 H new ATOM 0 HB2 ASP A 8 3.235 12.953 1.392 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.196 13.542 0.110 1.00 0.63 H new ATOM 122 N ASP A 9 2.781 10.514 -0.171 1.00 0.45 N ATOM 123 CA ASP A 9 3.089 9.742 -1.363 1.00 0.49 C ATOM 124 C ASP A 9 2.326 8.422 -1.381 1.00 0.47 C ATOM 125 O ASP A 9 1.943 7.927 -2.429 1.00 0.56 O ATOM 126 CB ASP A 9 4.583 9.507 -1.535 1.00 0.60 C ATOM 127 CG ASP A 9 4.889 8.934 -2.900 1.00 1.11 C ATOM 128 OD1 ASP A 9 4.933 9.679 -3.888 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.125 7.701 -2.999 1.00 2.00 O ATOM 0 H ASP A 9 3.535 10.573 0.514 1.00 0.45 H new ATOM 0 HA ASP A 9 2.760 10.340 -2.213 1.00 0.49 H new ATOM 0 HB2 ASP A 9 5.120 10.446 -1.403 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.939 8.825 -0.763 1.00 0.60 H new ATOM 134 N LEU A 10 2.073 7.874 -0.209 1.00 0.42 N ATOM 135 CA LEU A 10 1.339 6.624 -0.106 1.00 0.44 C ATOM 136 C LEU A 10 -0.136 6.810 -0.540 1.00 0.42 C ATOM 137 O LEU A 10 -0.770 5.868 -1.032 1.00 0.50 O ATOM 138 CB LEU A 10 1.423 6.062 1.313 1.00 0.45 C ATOM 139 CG LEU A 10 0.830 4.670 1.512 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.625 3.627 0.739 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.760 4.316 2.979 1.00 0.80 C ATOM 0 H LEU A 10 2.363 8.272 0.684 1.00 0.42 H new ATOM 0 HA LEU A 10 1.800 5.905 -0.784 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.471 6.036 1.612 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.916 6.752 1.988 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.187 4.679 1.120 1.00 0.48 H new ATOM 0 HD11 LEU A 10 1.184 2.643 0.896 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.605 3.868 -0.324 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.657 3.622 1.090 1.00 0.66 H new ATOM 0 HD21 LEU A 10 0.334 3.319 3.093 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.763 4.333 3.406 1.00 0.80 H new ATOM 0 HD23 LEU A 10 0.133 5.040 3.499 1.00 0.80 H new ATOM 153 N ARG A 11 -0.659 8.034 -0.363 1.00 0.40 N ATOM 154 CA ARG A 11 -2.037 8.387 -0.750 1.00 0.41 C ATOM 155 C ARG A 11 -2.323 8.003 -2.181 1.00 0.40 C ATOM 156 O ARG A 11 -3.249 7.241 -2.440 1.00 0.42 O ATOM 157 CB ARG A 11 -2.310 9.890 -0.561 1.00 0.48 C ATOM 158 CG ARG A 11 -2.352 10.335 0.882 1.00 0.58 C ATOM 159 CD ARG A 11 -2.433 11.843 1.007 1.00 0.72 C ATOM 160 NE ARG A 11 -2.429 12.271 2.418 1.00 1.24 N ATOM 161 CZ ARG A 11 -2.143 13.511 2.848 1.00 1.74 C ATOM 162 NH1 ARG A 11 -1.777 14.453 1.993 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.204 13.794 4.138 1.00 2.57 N ATOM 0 H ARG A 11 -0.140 8.807 0.052 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.700 7.824 -0.093 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.538 10.456 -1.082 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -3.260 10.137 -1.034 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -3.212 9.883 1.376 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -1.462 9.975 1.399 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -1.591 12.298 0.486 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -3.340 12.201 0.520 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.662 11.571 3.122 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -1.710 14.240 0.998 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -1.562 15.392 2.330 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -2.468 13.071 4.807 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -1.987 14.736 4.464 1.00 2.57 H new ATOM 177 N ARG A 12 -1.498 8.499 -3.090 1.00 0.43 N ATOM 178 CA ARG A 12 -1.666 8.246 -4.520 1.00 0.49 C ATOM 179 C ARG A 12 -1.616 6.764 -4.856 1.00 0.49 C ATOM 180 O ARG A 12 -2.254 6.332 -5.789 1.00 0.59 O ATOM 181 CB ARG A 12 -0.653 9.039 -5.359 1.00 0.64 C ATOM 182 CG ARG A 12 0.804 8.745 -5.040 1.00 0.85 C ATOM 183 CD ARG A 12 1.753 9.639 -5.816 1.00 1.00 C ATOM 184 NE ARG A 12 1.396 11.046 -5.660 1.00 1.77 N ATOM 185 CZ ARG A 12 2.127 12.003 -5.095 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.305 11.754 -4.532 1.00 2.51 N ATOM 187 NH2 ARG A 12 1.644 13.222 -5.066 1.00 3.48 N ATOM 0 H ARG A 12 -0.695 9.086 -2.863 1.00 0.43 H new ATOM 0 HA ARG A 12 -2.664 8.599 -4.781 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -0.830 8.827 -6.413 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.835 10.104 -5.213 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.974 8.878 -3.972 1.00 0.85 H new ATOM 0 HG3 ARG A 12 1.021 7.702 -5.270 1.00 0.85 H new ATOM 0 HD2 ARG A 12 2.774 9.479 -5.469 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.730 9.370 -6.872 1.00 1.00 H new ATOM 0 HE ARG A 12 0.485 11.326 -6.025 1.00 1.77 H new ATOM 0 HH11 ARG A 12 3.676 10.804 -4.524 1.00 2.51 H new ATOM 0 HH12 ARG A 12 3.838 12.513 -4.108 1.00 2.51 H new ATOM 0 HH21 ARG A 12 0.728 13.418 -5.471 1.00 3.48 H new ATOM 0 HH22 ARG A 12 2.184 13.974 -4.639 1.00 3.48 H new ATOM 201 N ALA A 13 -0.859 5.998 -4.092 1.00 0.50 N ATOM 202 CA ALA A 13 -0.743 4.566 -4.320 1.00 0.59 C ATOM 203 C ALA A 13 -2.054 3.858 -4.007 1.00 0.55 C ATOM 204 O ALA A 13 -2.623 3.168 -4.857 1.00 0.65 O ATOM 205 CB ALA A 13 0.372 3.997 -3.480 1.00 0.70 C ATOM 0 H ALA A 13 -0.312 6.344 -3.304 1.00 0.50 H new ATOM 0 HA ALA A 13 -0.513 4.403 -5.373 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.451 2.924 -3.658 1.00 0.70 H new ATOM 0 HB2 ALA A 13 1.312 4.479 -3.748 1.00 0.70 H new ATOM 0 HB3 ALA A 13 0.161 4.175 -2.426 1.00 0.70 H new ATOM 211 N LEU A 14 -2.534 4.064 -2.793 1.00 0.47 N ATOM 212 CA LEU A 14 -3.770 3.446 -2.325 1.00 0.48 C ATOM 213 C LEU A 14 -4.963 3.949 -3.112 1.00 0.53 C ATOM 214 O LEU A 14 -5.735 3.157 -3.693 1.00 0.70 O ATOM 215 CB LEU A 14 -3.999 3.722 -0.819 1.00 0.48 C ATOM 216 CG LEU A 14 -3.316 2.801 0.213 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.834 1.384 0.112 1.00 0.52 C ATOM 218 CD2 LEU A 14 -1.810 2.828 0.090 1.00 0.92 C ATOM 0 H LEU A 14 -2.082 4.663 -2.102 1.00 0.47 H new ATOM 0 HA LEU A 14 -3.669 2.372 -2.478 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -3.675 4.743 -0.617 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.073 3.686 -0.635 1.00 0.48 H new ATOM 0 HG LEU A 14 -3.571 3.190 1.199 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.333 0.760 0.852 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -4.908 1.375 0.297 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -3.635 0.994 -0.886 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.372 2.165 0.836 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -1.520 2.494 -0.906 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -1.450 3.844 0.251 1.00 0.92 H new ATOM 230 N VAL A 15 -5.099 5.253 -3.158 1.00 0.49 N ATOM 231 CA VAL A 15 -6.223 5.893 -3.792 1.00 0.60 C ATOM 232 C VAL A 15 -6.362 5.514 -5.284 1.00 0.66 C ATOM 233 O VAL A 15 -7.479 5.309 -5.763 1.00 0.87 O ATOM 234 CB VAL A 15 -6.220 7.430 -3.544 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.302 8.122 -4.327 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.425 7.699 -2.063 1.00 0.84 C ATOM 0 H VAL A 15 -4.426 5.904 -2.753 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.124 5.506 -3.316 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.259 7.823 -3.875 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.267 9.193 -4.127 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.150 7.946 -5.392 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.274 7.729 -4.030 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.424 8.774 -1.885 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.380 7.280 -1.746 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.619 7.236 -1.494 1.00 0.84 H new ATOM 246 N GLU A 16 -5.228 5.333 -5.969 1.00 0.64 N ATOM 247 CA GLU A 16 -5.181 4.935 -7.392 1.00 0.77 C ATOM 248 C GLU A 16 -5.963 3.625 -7.572 1.00 0.70 C ATOM 249 O GLU A 16 -6.907 3.544 -8.372 1.00 0.81 O ATOM 250 CB GLU A 16 -3.695 4.729 -7.796 1.00 0.95 C ATOM 251 CG GLU A 16 -3.345 4.771 -9.290 1.00 1.63 C ATOM 252 CD GLU A 16 -3.900 3.643 -10.116 1.00 1.66 C ATOM 253 OE1 GLU A 16 -3.245 2.577 -10.204 1.00 1.92 O ATOM 254 OE2 GLU A 16 -5.012 3.782 -10.668 1.00 2.10 O ATOM 0 H GLU A 16 -4.305 5.458 -5.553 1.00 0.64 H new ATOM 0 HA GLU A 16 -5.628 5.705 -8.021 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.102 5.492 -7.292 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.372 3.765 -7.404 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -3.705 5.713 -9.704 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -2.260 4.773 -9.391 1.00 1.63 H new ATOM 261 N SER A 17 -5.601 2.634 -6.769 1.00 0.58 N ATOM 262 CA SER A 17 -6.201 1.311 -6.826 1.00 0.61 C ATOM 263 C SER A 17 -7.644 1.274 -6.295 1.00 0.69 C ATOM 264 O SER A 17 -8.387 0.329 -6.560 1.00 0.82 O ATOM 265 CB SER A 17 -5.299 0.334 -6.084 1.00 0.57 C ATOM 266 OG SER A 17 -4.877 0.877 -4.842 1.00 1.00 O ATOM 0 H SER A 17 -4.878 2.727 -6.056 1.00 0.58 H new ATOM 0 HA SER A 17 -6.281 1.018 -7.873 1.00 0.61 H new ATOM 0 HB2 SER A 17 -5.832 -0.602 -5.914 1.00 0.57 H new ATOM 0 HB3 SER A 17 -4.429 0.099 -6.697 1.00 0.57 H new ATOM 0 HG SER A 17 -5.472 1.613 -4.588 1.00 1.00 H new ATOM 272 N ALA A 18 -8.032 2.297 -5.561 1.00 0.78 N ATOM 273 CA ALA A 18 -9.375 2.371 -5.023 1.00 0.97 C ATOM 274 C ALA A 18 -10.311 3.015 -6.041 1.00 1.13 C ATOM 275 O ALA A 18 -11.451 2.570 -6.238 1.00 1.49 O ATOM 276 CB ALA A 18 -9.381 3.143 -3.713 1.00 1.11 C ATOM 0 H ALA A 18 -7.436 3.090 -5.323 1.00 0.78 H new ATOM 0 HA ALA A 18 -9.731 1.361 -4.819 1.00 0.97 H new ATOM 0 HB1 ALA A 18 -10.398 3.189 -3.323 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -8.738 2.640 -2.991 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -9.012 4.154 -3.885 1.00 1.11 H new ATOM 282 N GLY A 19 -9.814 4.035 -6.701 1.00 1.13 N ATOM 283 CA GLY A 19 -10.570 4.728 -7.703 1.00 1.48 C ATOM 284 C GLY A 19 -9.807 5.912 -8.216 1.00 1.60 C ATOM 285 O GLY A 19 -9.483 5.979 -9.401 1.00 2.02 O ATOM 0 H GLY A 19 -8.874 4.403 -6.554 1.00 1.13 H new ATOM 0 HA2 GLY A 19 -10.798 4.051 -8.526 1.00 1.48 H new ATOM 0 HA3 GLY A 19 -11.522 5.055 -7.286 1.00 1.48 H new ATOM 289 N GLU A 20 -9.467 6.807 -7.291 1.00 2.22 N ATOM 290 CA GLU A 20 -8.740 8.047 -7.566 1.00 3.33 C ATOM 291 C GLU A 20 -9.622 9.040 -8.313 1.00 3.66 C ATOM 292 O GLU A 20 -9.732 9.016 -9.536 1.00 4.35 O ATOM 293 CB GLU A 20 -7.375 7.782 -8.251 1.00 4.13 C ATOM 294 CG GLU A 20 -6.517 9.006 -8.487 1.00 5.10 C ATOM 295 CD GLU A 20 -5.126 8.642 -8.946 1.00 5.65 C ATOM 296 OE1 GLU A 20 -4.955 8.309 -10.135 1.00 5.97 O ATOM 297 OE2 GLU A 20 -4.171 8.656 -8.110 1.00 6.03 O ATOM 0 H GLU A 20 -9.695 6.688 -6.304 1.00 2.22 H new ATOM 0 HA GLU A 20 -8.491 8.516 -6.614 1.00 3.33 H new ATOM 0 HB2 GLU A 20 -6.812 7.077 -7.639 1.00 4.13 H new ATOM 0 HB3 GLU A 20 -7.557 7.297 -9.210 1.00 4.13 H new ATOM 0 HG2 GLU A 20 -6.991 9.642 -9.235 1.00 5.10 H new ATOM 0 HG3 GLU A 20 -6.455 9.588 -7.567 1.00 5.10 H new ATOM 304 N THR A 21 -10.308 9.860 -7.522 1.00 3.56 N ATOM 305 CA THR A 21 -11.266 10.864 -7.983 1.00 4.12 C ATOM 306 C THR A 21 -12.490 10.131 -8.539 1.00 3.91 C ATOM 307 O THR A 21 -13.033 10.430 -9.607 1.00 4.42 O ATOM 308 CB THR A 21 -10.644 11.833 -9.018 1.00 4.95 C ATOM 309 OG1 THR A 21 -9.344 12.256 -8.534 1.00 5.36 O ATOM 310 CG2 THR A 21 -11.514 13.075 -9.181 1.00 5.71 C ATOM 0 H THR A 21 -10.210 9.844 -6.507 1.00 3.56 H new ATOM 0 HA THR A 21 -11.567 11.494 -7.146 1.00 4.12 H new ATOM 0 HB THR A 21 -10.563 11.319 -9.976 1.00 4.95 H new ATOM 0 HG1 THR A 21 -8.938 12.869 -9.181 1.00 5.36 H new ATOM 0 HG21 THR A 21 -11.060 13.744 -9.912 1.00 5.71 H new ATOM 0 HG22 THR A 21 -12.506 12.782 -9.524 1.00 5.71 H new ATOM 0 HG23 THR A 21 -11.598 13.588 -8.223 1.00 5.71 H new ATOM 318 N ASP A 22 -12.931 9.201 -7.748 1.00 3.55 N ATOM 319 CA ASP A 22 -14.006 8.305 -8.100 1.00 3.80 C ATOM 320 C ASP A 22 -15.136 8.412 -7.103 1.00 3.75 C ATOM 321 O ASP A 22 -16.322 8.362 -7.450 1.00 4.22 O ATOM 322 CB ASP A 22 -13.457 6.872 -8.085 1.00 4.39 C ATOM 323 CG ASP A 22 -14.525 5.810 -8.189 1.00 4.93 C ATOM 324 OD1 ASP A 22 -14.872 5.404 -9.314 1.00 5.42 O ATOM 325 OD2 ASP A 22 -15.017 5.351 -7.137 1.00 5.23 O ATOM 0 H ASP A 22 -12.549 9.035 -6.817 1.00 3.55 H new ATOM 0 HA ASP A 22 -14.389 8.566 -9.086 1.00 3.80 H new ATOM 0 HB2 ASP A 22 -12.757 6.752 -8.912 1.00 4.39 H new ATOM 0 HB3 ASP A 22 -12.893 6.718 -7.165 1.00 4.39 H new ATOM 330 N GLY A 23 -14.765 8.577 -5.876 1.00 3.52 N ATOM 331 CA GLY A 23 -15.701 8.534 -4.799 1.00 3.84 C ATOM 332 C GLY A 23 -15.202 7.528 -3.828 1.00 3.68 C ATOM 333 O GLY A 23 -15.317 7.683 -2.615 1.00 3.96 O ATOM 0 H GLY A 23 -13.801 8.746 -5.590 1.00 3.52 H new ATOM 0 HA2 GLY A 23 -15.791 9.513 -4.328 1.00 3.84 H new ATOM 0 HA3 GLY A 23 -16.692 8.262 -5.161 1.00 3.84 H new ATOM 337 N THR A 24 -14.600 6.490 -4.372 1.00 3.64 N ATOM 338 CA THR A 24 -13.909 5.506 -3.592 1.00 3.82 C ATOM 339 C THR A 24 -12.496 6.062 -3.342 1.00 3.09 C ATOM 340 O THR A 24 -11.500 5.618 -3.919 1.00 3.70 O ATOM 341 CB THR A 24 -13.835 4.173 -4.366 1.00 5.01 C ATOM 342 OG1 THR A 24 -15.126 3.908 -4.955 1.00 5.50 O ATOM 343 CG2 THR A 24 -13.475 3.024 -3.431 1.00 5.84 C ATOM 0 H THR A 24 -14.581 6.312 -5.376 1.00 3.64 H new ATOM 0 HA THR A 24 -14.424 5.310 -2.652 1.00 3.82 H new ATOM 0 HB THR A 24 -13.067 4.253 -5.135 1.00 5.01 H new ATOM 0 HG1 THR A 24 -15.210 4.404 -5.796 1.00 5.50 H new ATOM 0 HG21 THR A 24 -13.428 2.094 -3.998 1.00 5.84 H new ATOM 0 HG22 THR A 24 -12.505 3.218 -2.972 1.00 5.84 H new ATOM 0 HG23 THR A 24 -14.233 2.937 -2.653 1.00 5.84 H new ATOM 351 N ASP A 25 -12.457 7.120 -2.578 1.00 2.19 N ATOM 352 CA ASP A 25 -11.251 7.827 -2.298 1.00 1.95 C ATOM 353 C ASP A 25 -11.023 7.868 -0.829 1.00 1.67 C ATOM 354 O ASP A 25 -11.956 8.065 -0.049 1.00 2.10 O ATOM 355 CB ASP A 25 -11.299 9.264 -2.848 1.00 2.07 C ATOM 356 CG ASP A 25 -11.151 9.385 -4.354 1.00 2.73 C ATOM 357 OD1 ASP A 25 -12.146 9.164 -5.072 1.00 3.15 O ATOM 358 OD2 ASP A 25 -10.025 9.629 -4.858 1.00 3.29 O ATOM 0 H ASP A 25 -13.282 7.517 -2.128 1.00 2.19 H new ATOM 0 HA ASP A 25 -10.432 7.301 -2.789 1.00 1.95 H new ATOM 0 HB2 ASP A 25 -12.246 9.717 -2.555 1.00 2.07 H new ATOM 0 HB3 ASP A 25 -10.508 9.844 -2.373 1.00 2.07 H new ATOM 363 N LEU A 26 -9.805 7.660 -0.454 1.00 1.31 N ATOM 364 CA LEU A 26 -9.397 7.712 0.931 1.00 1.13 C ATOM 365 C LEU A 26 -9.020 9.151 1.225 1.00 1.22 C ATOM 366 O LEU A 26 -9.472 9.748 2.185 1.00 1.82 O ATOM 367 CB LEU A 26 -8.198 6.795 1.104 1.00 1.09 C ATOM 368 CG LEU A 26 -8.382 5.383 0.539 1.00 0.75 C ATOM 369 CD1 LEU A 26 -7.110 4.593 0.654 1.00 1.61 C ATOM 370 CD2 LEU A 26 -9.517 4.661 1.233 1.00 1.49 C ATOM 0 H LEU A 26 -9.046 7.445 -1.101 1.00 1.31 H new ATOM 0 HA LEU A 26 -10.186 7.389 1.611 1.00 1.13 H new ATOM 0 HB2 LEU A 26 -7.335 7.254 0.622 1.00 1.09 H new ATOM 0 HB3 LEU A 26 -7.967 6.719 2.167 1.00 1.09 H new ATOM 0 HG LEU A 26 -8.636 5.478 -0.517 1.00 0.75 H new ATOM 0 HD11 LEU A 26 -7.264 3.594 0.247 1.00 1.61 H new ATOM 0 HD12 LEU A 26 -6.319 5.094 0.096 1.00 1.61 H new ATOM 0 HD13 LEU A 26 -6.822 4.517 1.703 1.00 1.61 H new ATOM 0 HD21 LEU A 26 -9.624 3.662 0.811 1.00 1.49 H new ATOM 0 HD22 LEU A 26 -9.302 4.584 2.299 1.00 1.49 H new ATOM 0 HD23 LEU A 26 -10.444 5.217 1.089 1.00 1.49 H new ATOM 382 N SER A 27 -8.148 9.667 0.361 1.00 1.09 N ATOM 383 CA SER A 27 -7.773 11.082 0.281 1.00 1.16 C ATOM 384 C SER A 27 -6.994 11.604 1.489 1.00 1.19 C ATOM 385 O SER A 27 -6.970 12.809 1.745 1.00 1.88 O ATOM 386 CB SER A 27 -9.004 11.919 0.042 1.00 1.49 C ATOM 387 OG SER A 27 -9.718 11.482 -1.121 1.00 1.72 O ATOM 0 H SER A 27 -7.664 9.092 -0.329 1.00 1.09 H new ATOM 0 HA SER A 27 -7.084 11.166 -0.559 1.00 1.16 H new ATOM 0 HB2 SER A 27 -9.657 11.865 0.913 1.00 1.49 H new ATOM 0 HB3 SER A 27 -8.717 12.964 -0.077 1.00 1.49 H new ATOM 0 HG SER A 27 -10.511 12.043 -1.248 1.00 1.72 H new ATOM 393 N GLY A 28 -6.304 10.735 2.178 1.00 0.90 N ATOM 394 CA GLY A 28 -5.560 11.197 3.332 1.00 1.11 C ATOM 395 C GLY A 28 -5.529 10.203 4.444 1.00 0.86 C ATOM 396 O GLY A 28 -4.523 9.516 4.632 1.00 1.32 O ATOM 0 H GLY A 28 -6.237 9.737 1.976 1.00 0.90 H new ATOM 0 HA2 GLY A 28 -4.538 11.427 3.030 1.00 1.11 H new ATOM 0 HA3 GLY A 28 -6.002 12.125 3.694 1.00 1.11 H new ATOM 400 N ASP A 29 -6.613 10.098 5.173 1.00 0.68 N ATOM 401 CA ASP A 29 -6.676 9.162 6.278 1.00 0.75 C ATOM 402 C ASP A 29 -7.135 7.814 5.791 1.00 0.61 C ATOM 403 O ASP A 29 -8.226 7.655 5.232 1.00 0.71 O ATOM 404 CB ASP A 29 -7.503 9.660 7.499 1.00 1.18 C ATOM 405 CG ASP A 29 -8.998 9.800 7.277 1.00 1.63 C ATOM 406 OD1 ASP A 29 -9.450 10.866 6.784 1.00 2.14 O ATOM 407 OD2 ASP A 29 -9.756 8.889 7.649 1.00 2.17 O ATOM 0 H ASP A 29 -7.462 10.644 5.026 1.00 0.68 H new ATOM 0 HA ASP A 29 -5.661 9.072 6.664 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -7.342 8.970 8.328 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -7.109 10.628 7.809 1.00 1.18 H new ATOM 412 N PHE A 30 -6.243 6.876 5.911 1.00 0.48 N ATOM 413 CA PHE A 30 -6.447 5.504 5.483 1.00 0.41 C ATOM 414 C PHE A 30 -5.385 4.636 6.131 1.00 0.34 C ATOM 415 O PHE A 30 -5.615 3.502 6.452 1.00 0.34 O ATOM 416 CB PHE A 30 -6.380 5.385 3.931 1.00 0.47 C ATOM 417 CG PHE A 30 -5.042 5.743 3.316 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.049 4.789 3.161 1.00 0.44 C ATOM 419 CD2 PHE A 30 -4.786 7.028 2.907 1.00 0.61 C ATOM 420 CE1 PHE A 30 -2.833 5.122 2.617 1.00 0.52 C ATOM 421 CE2 PHE A 30 -3.571 7.365 2.359 1.00 0.71 C ATOM 422 CZ PHE A 30 -2.593 6.412 2.214 1.00 0.60 C ATOM 0 H PHE A 30 -5.323 7.039 6.320 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.438 5.171 5.791 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.630 4.362 3.649 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.145 6.030 3.499 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -4.234 3.771 3.472 1.00 0.44 H new ATOM 0 HD2 PHE A 30 -5.549 7.784 3.017 1.00 0.61 H new ATOM 0 HE1 PHE A 30 -2.066 4.370 2.506 1.00 0.52 H new ATOM 0 HE2 PHE A 30 -3.385 8.381 2.042 1.00 0.71 H new ATOM 0 HZ PHE A 30 -1.638 6.677 1.784 1.00 0.60 H new ATOM 432 N LEU A 31 -4.215 5.247 6.314 1.00 0.36 N ATOM 433 CA LEU A 31 -2.991 4.644 6.841 1.00 0.36 C ATOM 434 C LEU A 31 -3.208 3.848 8.137 1.00 0.35 C ATOM 435 O LEU A 31 -2.577 2.804 8.350 1.00 0.37 O ATOM 436 CB LEU A 31 -1.968 5.769 7.049 1.00 0.44 C ATOM 437 CG LEU A 31 -0.563 5.393 7.492 1.00 0.51 C ATOM 438 CD1 LEU A 31 0.095 4.496 6.471 1.00 0.52 C ATOM 439 CD2 LEU A 31 0.256 6.647 7.674 1.00 0.64 C ATOM 0 H LEU A 31 -4.089 6.233 6.085 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.628 3.912 6.119 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -1.885 6.320 6.112 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.377 6.457 7.789 1.00 0.44 H new ATOM 0 HG LEU A 31 -0.624 4.853 8.437 1.00 0.51 H new ATOM 0 HD11 LEU A 31 1.100 4.238 6.807 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.493 3.586 6.354 1.00 0.52 H new ATOM 0 HD13 LEU A 31 0.154 5.016 5.515 1.00 0.52 H new ATOM 0 HD21 LEU A 31 1.264 6.380 7.992 1.00 0.64 H new ATOM 0 HD22 LEU A 31 0.305 7.190 6.730 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.208 7.278 8.432 1.00 0.64 H new ATOM 451 N ASP A 32 -4.091 4.330 8.982 1.00 0.38 N ATOM 452 CA ASP A 32 -4.343 3.680 10.268 1.00 0.45 C ATOM 453 C ASP A 32 -5.587 2.778 10.208 1.00 0.41 C ATOM 454 O ASP A 32 -5.841 1.957 11.106 1.00 0.47 O ATOM 455 CB ASP A 32 -4.502 4.745 11.350 1.00 0.64 C ATOM 456 CG ASP A 32 -4.554 4.178 12.746 1.00 1.55 C ATOM 457 OD1 ASP A 32 -3.503 3.777 13.285 1.00 2.06 O ATOM 458 OD2 ASP A 32 -5.667 4.075 13.308 1.00 2.29 O ATOM 0 H ASP A 32 -4.650 5.166 8.812 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.492 3.042 10.508 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -3.672 5.448 11.282 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -5.415 5.310 11.161 1.00 0.64 H new ATOM 463 N LEU A 33 -6.337 2.909 9.147 1.00 0.41 N ATOM 464 CA LEU A 33 -7.550 2.140 8.958 1.00 0.45 C ATOM 465 C LEU A 33 -7.197 0.842 8.253 1.00 0.44 C ATOM 466 O LEU A 33 -6.399 0.845 7.340 1.00 0.56 O ATOM 467 CB LEU A 33 -8.613 2.921 8.146 1.00 0.51 C ATOM 468 CG LEU A 33 -9.214 4.211 8.768 1.00 0.85 C ATOM 469 CD1 LEU A 33 -8.200 5.347 8.850 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.445 4.651 7.990 1.00 1.61 C ATOM 0 H LEU A 33 -6.128 3.553 8.384 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.987 1.935 9.935 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.168 3.190 7.188 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.437 2.239 7.934 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.503 3.968 9.791 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -8.672 6.225 9.292 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -7.357 5.038 9.468 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -7.846 5.591 7.849 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.854 5.556 8.438 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.169 4.852 6.955 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -11.195 3.861 8.019 1.00 1.61 H new ATOM 482 N ARG A 34 -7.785 -0.257 8.656 1.00 0.45 N ATOM 483 CA ARG A 34 -7.440 -1.536 8.060 1.00 0.50 C ATOM 484 C ARG A 34 -8.059 -1.591 6.649 1.00 0.45 C ATOM 485 O ARG A 34 -9.139 -1.069 6.439 1.00 0.54 O ATOM 486 CB ARG A 34 -7.927 -2.693 8.981 1.00 0.71 C ATOM 487 CG ARG A 34 -7.195 -4.035 8.801 1.00 1.08 C ATOM 488 CD ARG A 34 -7.579 -4.784 7.535 1.00 1.18 C ATOM 489 NE ARG A 34 -6.418 -5.460 6.958 1.00 1.90 N ATOM 490 CZ ARG A 34 -6.430 -6.474 6.093 1.00 2.49 C ATOM 491 NH1 ARG A 34 -7.531 -7.156 5.882 1.00 2.61 N ATOM 492 NH2 ARG A 34 -5.301 -6.839 5.487 1.00 3.35 N ATOM 0 H ARG A 34 -8.497 -0.299 9.385 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.361 -1.651 7.962 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -7.821 -2.377 10.019 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.991 -2.852 8.804 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -6.120 -3.852 8.791 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -7.403 -4.669 9.663 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -8.356 -5.515 7.761 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -7.998 -4.088 6.808 1.00 1.18 H new ATOM 0 HE ARG A 34 -5.501 -5.119 7.248 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -8.386 -6.912 6.382 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -7.532 -7.931 5.218 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -4.432 -6.343 5.686 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -5.306 -7.614 4.824 1.00 3.35 H new ATOM 506 N PHE A 35 -7.337 -2.191 5.700 1.00 0.40 N ATOM 507 CA PHE A 35 -7.717 -2.239 4.263 1.00 0.40 C ATOM 508 C PHE A 35 -9.201 -2.560 3.997 1.00 0.46 C ATOM 509 O PHE A 35 -9.844 -1.890 3.193 1.00 0.49 O ATOM 510 CB PHE A 35 -6.832 -3.214 3.499 1.00 0.39 C ATOM 511 CG PHE A 35 -5.398 -2.800 3.410 1.00 0.35 C ATOM 512 CD1 PHE A 35 -4.997 -1.859 2.478 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.447 -3.358 4.243 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.676 -1.483 2.381 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.125 -2.989 4.149 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.739 -2.051 3.217 1.00 0.48 C ATOM 0 H PHE A 35 -6.457 -2.668 5.898 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.560 -1.223 3.900 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.887 -4.191 3.980 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.228 -3.332 2.490 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.728 -1.415 1.819 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.745 -4.092 4.977 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.375 -0.745 1.652 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.391 -3.434 4.805 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.702 -1.761 3.141 1.00 0.48 H new ATOM 526 N GLU A 36 -9.724 -3.571 4.647 1.00 0.58 N ATOM 527 CA GLU A 36 -11.138 -3.944 4.508 1.00 0.74 C ATOM 528 C GLU A 36 -12.090 -2.792 4.892 1.00 0.75 C ATOM 529 O GLU A 36 -13.149 -2.640 4.311 1.00 0.84 O ATOM 530 CB GLU A 36 -11.427 -5.215 5.292 1.00 0.92 C ATOM 531 CG GLU A 36 -10.645 -6.404 4.770 1.00 1.14 C ATOM 532 CD GLU A 36 -10.722 -7.604 5.667 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.071 -7.592 6.726 1.00 2.26 O ATOM 534 OE2 GLU A 36 -11.396 -8.590 5.331 1.00 1.93 O ATOM 0 H GLU A 36 -9.197 -4.165 5.287 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.329 -4.146 3.454 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -11.182 -5.055 6.342 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -12.494 -5.435 5.243 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -11.021 -6.672 3.783 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -9.601 -6.118 4.647 1.00 1.14 H new ATOM 541 N ASP A 37 -11.653 -1.936 5.812 1.00 0.70 N ATOM 542 CA ASP A 37 -12.464 -0.804 6.263 1.00 0.77 C ATOM 543 C ASP A 37 -12.304 0.367 5.318 1.00 0.71 C ATOM 544 O ASP A 37 -13.094 1.309 5.342 1.00 0.80 O ATOM 545 CB ASP A 37 -12.083 -0.339 7.682 1.00 0.85 C ATOM 546 CG ASP A 37 -12.389 -1.335 8.768 1.00 1.48 C ATOM 547 OD1 ASP A 37 -13.564 -1.441 9.195 1.00 1.64 O ATOM 548 OD2 ASP A 37 -11.468 -2.012 9.238 1.00 2.27 O ATOM 0 H ASP A 37 -10.740 -2.003 6.262 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.498 -1.149 6.276 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -11.017 -0.114 7.703 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -12.609 0.590 7.900 1.00 0.85 H new ATOM 553 N ILE A 38 -11.277 0.327 4.496 1.00 0.62 N ATOM 554 CA ILE A 38 -11.074 1.377 3.523 1.00 0.65 C ATOM 555 C ILE A 38 -11.520 0.963 2.125 1.00 0.69 C ATOM 556 O ILE A 38 -11.320 1.689 1.156 1.00 0.75 O ATOM 557 CB ILE A 38 -9.638 2.003 3.518 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.549 0.924 3.453 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.449 2.906 4.722 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.122 1.442 3.348 1.00 0.56 C ATOM 0 H ILE A 38 -10.576 -0.414 4.482 1.00 0.62 H new ATOM 0 HA ILE A 38 -11.727 2.184 3.856 1.00 0.65 H new ATOM 0 HB ILE A 38 -9.540 2.609 2.617 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.626 0.300 4.343 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -8.748 0.282 2.595 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.446 3.333 4.703 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.186 3.709 4.694 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.579 2.326 5.636 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.431 0.600 3.308 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.018 2.040 2.443 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -6.894 2.058 4.218 1.00 0.56 H new ATOM 572 N GLY A 39 -12.181 -0.189 2.045 1.00 0.72 N ATOM 573 CA GLY A 39 -12.789 -0.619 0.804 1.00 0.81 C ATOM 574 C GLY A 39 -11.950 -1.586 -0.004 1.00 0.67 C ATOM 575 O GLY A 39 -12.229 -1.820 -1.185 1.00 0.72 O ATOM 0 H GLY A 39 -12.305 -0.834 2.825 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -13.747 -1.088 1.027 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -12.998 0.259 0.193 1.00 0.81 H new ATOM 579 N TYR A 40 -10.932 -2.158 0.592 1.00 0.57 N ATOM 580 CA TYR A 40 -10.088 -3.064 -0.149 1.00 0.54 C ATOM 581 C TYR A 40 -10.481 -4.485 0.114 1.00 0.64 C ATOM 582 O TYR A 40 -10.599 -4.918 1.263 1.00 0.79 O ATOM 583 CB TYR A 40 -8.581 -2.831 0.087 1.00 0.55 C ATOM 584 CG TYR A 40 -8.100 -1.443 -0.314 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.656 -0.309 0.237 1.00 0.71 C ATOM 586 CD2 TYR A 40 -7.120 -1.279 -1.268 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.252 0.938 -0.135 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.709 -0.026 -1.652 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.285 1.075 -1.075 1.00 0.89 C ATOM 590 OH TYR A 40 -6.897 2.316 -1.446 1.00 1.12 O ATOM 0 H TYR A 40 -10.671 -2.017 1.568 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.250 -2.851 -1.206 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.360 -2.990 1.142 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.016 -3.576 -0.473 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.431 -0.411 0.982 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.668 -2.149 -1.721 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -8.699 1.811 0.316 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.940 0.090 -2.401 1.00 0.82 H new ATOM 0 HH TYR A 40 -6.635 2.308 -2.390 1.00 1.12 H new ATOM 600 N ASP A 41 -10.725 -5.178 -0.945 1.00 0.68 N ATOM 601 CA ASP A 41 -11.150 -6.557 -0.922 1.00 0.90 C ATOM 602 C ASP A 41 -9.966 -7.493 -0.856 1.00 1.04 C ATOM 603 O ASP A 41 -9.878 -8.333 0.042 1.00 1.93 O ATOM 604 CB ASP A 41 -12.030 -6.872 -2.162 1.00 1.00 C ATOM 605 CG ASP A 41 -11.515 -6.287 -3.493 1.00 1.48 C ATOM 606 OD1 ASP A 41 -10.304 -6.021 -3.593 1.00 2.20 O ATOM 607 OD2 ASP A 41 -12.304 -6.151 -4.472 1.00 2.00 O ATOM 0 H ASP A 41 -10.635 -4.798 -1.887 1.00 0.68 H new ATOM 0 HA ASP A 41 -11.747 -6.712 -0.023 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -12.111 -7.954 -2.265 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -13.036 -6.493 -1.981 1.00 1.00 H new ATOM 612 N SER A 42 -9.065 -7.306 -1.779 1.00 0.72 N ATOM 613 CA SER A 42 -7.872 -8.093 -1.950 1.00 0.68 C ATOM 614 C SER A 42 -7.193 -7.624 -3.228 1.00 0.54 C ATOM 615 O SER A 42 -6.015 -7.248 -3.233 1.00 0.51 O ATOM 616 CB SER A 42 -8.254 -9.567 -2.082 1.00 0.82 C ATOM 617 OG SER A 42 -9.293 -9.717 -3.107 1.00 0.86 O ATOM 0 H SER A 42 -9.146 -6.561 -2.471 1.00 0.72 H new ATOM 0 HA SER A 42 -7.204 -7.977 -1.097 1.00 0.68 H new ATOM 0 HB2 SER A 42 -7.378 -10.158 -2.349 1.00 0.82 H new ATOM 0 HB3 SER A 42 -8.615 -9.947 -1.126 1.00 0.82 H new ATOM 622 N LEU A 43 -7.983 -7.578 -4.286 1.00 0.52 N ATOM 623 CA LEU A 43 -7.543 -7.139 -5.594 1.00 0.48 C ATOM 624 C LEU A 43 -7.174 -5.671 -5.503 1.00 0.39 C ATOM 625 O LEU A 43 -6.152 -5.251 -6.024 1.00 0.37 O ATOM 626 CB LEU A 43 -8.670 -7.390 -6.639 1.00 0.64 C ATOM 627 CG LEU A 43 -8.348 -7.228 -8.160 1.00 0.83 C ATOM 628 CD1 LEU A 43 -8.075 -5.779 -8.570 1.00 1.64 C ATOM 629 CD2 LEU A 43 -7.189 -8.129 -8.562 1.00 1.57 C ATOM 0 H LEU A 43 -8.966 -7.850 -4.257 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.668 -7.701 -5.920 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.038 -8.405 -6.488 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.492 -6.714 -6.404 1.00 0.64 H new ATOM 0 HG LEU A 43 -9.244 -7.535 -8.699 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.859 -5.738 -9.637 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -8.952 -5.168 -8.353 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -7.220 -5.398 -8.011 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -6.981 -8.001 -9.624 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -6.304 -7.863 -7.984 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -7.451 -9.169 -8.366 1.00 1.57 H new ATOM 641 N ALA A 44 -7.979 -4.907 -4.800 1.00 0.41 N ATOM 642 CA ALA A 44 -7.698 -3.502 -4.633 1.00 0.39 C ATOM 643 C ALA A 44 -6.354 -3.286 -3.915 1.00 0.34 C ATOM 644 O ALA A 44 -5.573 -2.439 -4.315 1.00 0.35 O ATOM 645 CB ALA A 44 -8.833 -2.804 -3.907 1.00 0.49 C ATOM 0 H ALA A 44 -8.828 -5.233 -4.338 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.615 -3.056 -5.624 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.596 -1.746 -3.794 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.753 -2.911 -4.482 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.966 -3.253 -2.923 1.00 0.49 H new ATOM 651 N LEU A 45 -6.075 -4.097 -2.884 1.00 0.37 N ATOM 652 CA LEU A 45 -4.822 -3.971 -2.116 1.00 0.42 C ATOM 653 C LEU A 45 -3.631 -4.341 -3.014 1.00 0.39 C ATOM 654 O LEU A 45 -2.598 -3.673 -3.018 1.00 0.43 O ATOM 655 CB LEU A 45 -4.867 -4.875 -0.844 1.00 0.54 C ATOM 656 CG LEU A 45 -3.822 -4.615 0.298 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.101 -5.516 1.472 1.00 0.75 C ATOM 658 CD2 LEU A 45 -2.377 -4.835 -0.140 1.00 0.94 C ATOM 0 H LEU A 45 -6.693 -4.842 -2.563 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.704 -2.939 -1.785 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.862 -4.785 -0.409 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.753 -5.909 -1.168 1.00 0.54 H new ATOM 0 HG LEU A 45 -3.933 -3.565 0.570 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -3.370 -5.327 2.258 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.103 -5.317 1.853 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -4.033 -6.557 1.156 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -1.709 -4.638 0.698 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.250 -5.866 -0.471 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -2.139 -4.159 -0.961 1.00 0.94 H new ATOM 670 N MET A 46 -3.787 -5.397 -3.783 1.00 0.36 N ATOM 671 CA MET A 46 -2.686 -5.855 -4.660 1.00 0.41 C ATOM 672 C MET A 46 -2.410 -4.837 -5.753 1.00 0.39 C ATOM 673 O MET A 46 -1.272 -4.657 -6.168 1.00 0.49 O ATOM 674 CB MET A 46 -2.936 -7.267 -5.253 1.00 0.43 C ATOM 675 CG MET A 46 -4.028 -7.366 -6.306 1.00 0.34 C ATOM 676 SD MET A 46 -3.499 -6.889 -7.980 1.00 0.73 S ATOM 677 CE MET A 46 -2.205 -8.098 -8.292 1.00 1.38 C ATOM 0 H MET A 46 -4.639 -5.956 -3.833 1.00 0.36 H new ATOM 0 HA MET A 46 -1.798 -5.941 -4.034 1.00 0.41 H new ATOM 0 HB2 MET A 46 -2.004 -7.625 -5.690 1.00 0.43 H new ATOM 0 HB3 MET A 46 -3.185 -7.943 -4.435 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.399 -8.391 -6.333 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.863 -6.733 -6.007 1.00 0.34 H new ATOM 0 HE1 MET A 46 -2.068 -8.215 -9.367 1.00 1.38 H new ATOM 0 HE2 MET A 46 -1.272 -7.757 -7.843 1.00 1.38 H new ATOM 0 HE3 MET A 46 -2.489 -9.056 -7.856 1.00 1.38 H new ATOM 687 N GLU A 47 -3.459 -4.147 -6.179 1.00 0.31 N ATOM 688 CA GLU A 47 -3.357 -3.127 -7.197 1.00 0.37 C ATOM 689 C GLU A 47 -2.529 -1.946 -6.642 1.00 0.34 C ATOM 690 O GLU A 47 -1.806 -1.268 -7.381 1.00 0.38 O ATOM 691 CB GLU A 47 -4.770 -2.688 -7.596 1.00 0.44 C ATOM 692 CG GLU A 47 -4.854 -1.775 -8.801 1.00 0.62 C ATOM 693 CD GLU A 47 -4.439 -2.446 -10.076 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.197 -3.249 -10.625 1.00 1.45 O ATOM 695 OE2 GLU A 47 -3.308 -2.224 -10.519 1.00 1.76 O ATOM 0 H GLU A 47 -4.405 -4.284 -5.823 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.852 -3.508 -8.085 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.366 -3.579 -7.795 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -5.228 -2.182 -6.746 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -5.877 -1.412 -8.904 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -4.222 -0.903 -8.634 1.00 0.62 H new ATOM 702 N THR A 48 -2.647 -1.719 -5.332 1.00 0.32 N ATOM 703 CA THR A 48 -1.853 -0.731 -4.626 1.00 0.33 C ATOM 704 C THR A 48 -0.374 -1.135 -4.707 1.00 0.32 C ATOM 705 O THR A 48 0.489 -0.350 -5.147 1.00 0.35 O ATOM 706 CB THR A 48 -2.243 -0.720 -3.136 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.653 -0.549 -2.986 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.504 0.378 -2.401 1.00 0.41 C ATOM 0 H THR A 48 -3.302 -2.223 -4.734 1.00 0.32 H new ATOM 0 HA THR A 48 -2.023 0.248 -5.073 1.00 0.33 H new ATOM 0 HB THR A 48 -1.961 -1.680 -2.704 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.034 -0.222 -3.828 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.792 0.370 -1.350 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.430 0.212 -2.484 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.757 1.343 -2.839 1.00 0.41 H new ATOM 716 N ALA A 49 -0.102 -2.364 -4.265 1.00 0.32 N ATOM 717 CA ALA A 49 1.238 -2.912 -4.220 1.00 0.33 C ATOM 718 C ALA A 49 1.884 -2.877 -5.585 1.00 0.30 C ATOM 719 O ALA A 49 2.968 -2.336 -5.729 1.00 0.29 O ATOM 720 CB ALA A 49 1.215 -4.336 -3.692 1.00 0.40 C ATOM 0 H ALA A 49 -0.819 -3.006 -3.927 1.00 0.32 H new ATOM 0 HA ALA A 49 1.829 -2.294 -3.543 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.231 -4.731 -3.666 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.796 -4.344 -2.686 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.602 -4.956 -4.345 1.00 0.40 H new ATOM 726 N ALA A 50 1.170 -3.393 -6.586 1.00 0.31 N ATOM 727 CA ALA A 50 1.651 -3.460 -7.966 1.00 0.35 C ATOM 728 C ALA A 50 2.106 -2.092 -8.477 1.00 0.33 C ATOM 729 O ALA A 50 3.107 -1.988 -9.185 1.00 0.37 O ATOM 730 CB ALA A 50 0.576 -4.039 -8.872 1.00 0.44 C ATOM 0 H ALA A 50 0.234 -3.779 -6.461 1.00 0.31 H new ATOM 0 HA ALA A 50 2.520 -4.118 -7.982 1.00 0.35 H new ATOM 0 HB1 ALA A 50 0.948 -4.083 -9.896 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.319 -5.044 -8.536 1.00 0.44 H new ATOM 0 HB3 ALA A 50 -0.311 -3.406 -8.835 1.00 0.44 H new ATOM 736 N ARG A 51 1.393 -1.047 -8.078 1.00 0.31 N ATOM 737 CA ARG A 51 1.736 0.325 -8.453 1.00 0.36 C ATOM 738 C ARG A 51 3.089 0.691 -7.842 1.00 0.30 C ATOM 739 O ARG A 51 3.995 1.088 -8.538 1.00 0.34 O ATOM 740 CB ARG A 51 0.671 1.300 -7.923 1.00 0.46 C ATOM 741 CG ARG A 51 0.859 2.781 -8.288 1.00 0.91 C ATOM 742 CD ARG A 51 0.251 3.156 -9.645 1.00 1.03 C ATOM 743 NE ARG A 51 0.875 2.495 -10.798 1.00 1.65 N ATOM 744 CZ ARG A 51 0.229 2.194 -11.939 1.00 2.23 C ATOM 745 NH1 ARG A 51 -1.084 2.380 -12.045 1.00 2.58 N ATOM 746 NH2 ARG A 51 0.889 1.679 -12.955 1.00 3.05 N ATOM 0 H ARG A 51 0.564 -1.122 -7.488 1.00 0.31 H new ATOM 0 HA ARG A 51 1.782 0.395 -9.540 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.302 0.978 -8.294 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.642 1.217 -6.837 1.00 0.46 H new ATOM 0 HG2 ARG A 51 0.407 3.399 -7.512 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.924 3.012 -8.299 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -0.811 2.910 -9.633 1.00 1.03 H new ATOM 0 HD3 ARG A 51 0.327 4.235 -9.777 1.00 1.03 H new ATOM 0 HE ARG A 51 1.862 2.248 -10.729 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -1.611 2.754 -11.256 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -1.563 2.148 -12.915 1.00 2.58 H new ATOM 0 HH21 ARG A 51 1.892 1.508 -12.878 1.00 3.05 H new ATOM 0 HH22 ARG A 51 0.398 1.451 -13.819 1.00 3.05 H new ATOM 760 N LEU A 52 3.218 0.535 -6.541 1.00 0.25 N ATOM 761 CA LEU A 52 4.453 0.898 -5.863 1.00 0.24 C ATOM 762 C LEU A 52 5.624 0.005 -6.239 1.00 0.22 C ATOM 763 O LEU A 52 6.756 0.487 -6.366 1.00 0.26 O ATOM 764 CB LEU A 52 4.276 0.991 -4.355 1.00 0.28 C ATOM 765 CG LEU A 52 3.360 2.118 -3.876 1.00 0.35 C ATOM 766 CD1 LEU A 52 3.300 2.150 -2.364 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.837 3.461 -4.412 1.00 0.41 C ATOM 0 H LEU A 52 2.490 0.162 -5.932 1.00 0.25 H new ATOM 0 HA LEU A 52 4.704 1.897 -6.221 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.879 0.043 -3.993 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.257 1.122 -3.897 1.00 0.28 H new ATOM 0 HG LEU A 52 2.358 1.927 -4.259 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.643 2.959 -2.043 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.913 1.200 -1.995 1.00 0.43 H new ATOM 0 HD13 LEU A 52 4.300 2.314 -1.964 1.00 0.43 H new ATOM 0 HD21 LEU A 52 3.172 4.250 -4.060 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.850 3.655 -4.058 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.831 3.441 -5.502 1.00 0.41 H new ATOM 779 N GLU A 53 5.360 -1.276 -6.423 1.00 0.20 N ATOM 780 CA GLU A 53 6.382 -2.219 -6.831 1.00 0.25 C ATOM 781 C GLU A 53 6.998 -1.817 -8.159 1.00 0.29 C ATOM 782 O GLU A 53 8.225 -1.741 -8.286 1.00 0.32 O ATOM 783 CB GLU A 53 5.846 -3.641 -6.913 1.00 0.28 C ATOM 784 CG GLU A 53 5.440 -4.230 -5.581 1.00 0.30 C ATOM 785 CD GLU A 53 5.054 -5.675 -5.706 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.951 -6.518 -5.926 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.869 -6.001 -5.605 1.00 0.55 O ATOM 0 H GLU A 53 4.436 -1.689 -6.294 1.00 0.20 H new ATOM 0 HA GLU A 53 7.155 -2.197 -6.063 1.00 0.25 H new ATOM 0 HB2 GLU A 53 4.985 -3.654 -7.581 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.607 -4.279 -7.362 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.264 -4.134 -4.874 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.603 -3.664 -5.173 1.00 0.30 H new ATOM 794 N SER A 54 6.148 -1.555 -9.129 1.00 0.35 N ATOM 795 CA SER A 54 6.584 -1.127 -10.446 1.00 0.46 C ATOM 796 C SER A 54 7.256 0.265 -10.382 1.00 0.42 C ATOM 797 O SER A 54 8.309 0.506 -10.986 1.00 0.46 O ATOM 798 CB SER A 54 5.378 -1.124 -11.400 1.00 0.61 C ATOM 799 OG SER A 54 4.321 -0.341 -10.880 1.00 1.51 O ATOM 0 H SER A 54 5.136 -1.632 -9.029 1.00 0.35 H new ATOM 0 HA SER A 54 7.332 -1.825 -10.823 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.680 -0.734 -12.372 1.00 0.61 H new ATOM 0 HB3 SER A 54 5.034 -2.146 -11.560 1.00 0.61 H new ATOM 0 HG SER A 54 3.788 -0.881 -10.260 1.00 1.51 H new ATOM 805 N ARG A 55 6.652 1.147 -9.607 1.00 0.40 N ATOM 806 CA ARG A 55 7.090 2.525 -9.461 1.00 0.45 C ATOM 807 C ARG A 55 8.469 2.639 -8.791 1.00 0.43 C ATOM 808 O ARG A 55 9.346 3.336 -9.293 1.00 0.49 O ATOM 809 CB ARG A 55 6.024 3.300 -8.677 1.00 0.54 C ATOM 810 CG ARG A 55 6.213 4.798 -8.566 1.00 0.70 C ATOM 811 CD ARG A 55 5.043 5.399 -7.802 1.00 1.09 C ATOM 812 NE ARG A 55 5.155 6.845 -7.630 1.00 1.64 N ATOM 813 CZ ARG A 55 4.955 7.477 -6.466 1.00 2.34 C ATOM 814 NH1 ARG A 55 4.412 6.824 -5.441 1.00 2.65 N ATOM 815 NH2 ARG A 55 5.218 8.761 -6.340 1.00 3.15 N ATOM 0 H ARG A 55 5.827 0.922 -9.050 1.00 0.40 H new ATOM 0 HA ARG A 55 7.207 2.958 -10.455 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.057 3.113 -9.143 1.00 0.54 H new ATOM 0 HB3 ARG A 55 5.977 2.888 -7.669 1.00 0.54 H new ATOM 0 HG2 ARG A 55 7.149 5.021 -8.054 1.00 0.70 H new ATOM 0 HG3 ARG A 55 6.280 5.242 -9.559 1.00 0.70 H new ATOM 0 HD2 ARG A 55 4.117 5.172 -8.330 1.00 1.09 H new ATOM 0 HD3 ARG A 55 4.975 4.926 -6.822 1.00 1.09 H new ATOM 0 HE ARG A 55 5.400 7.407 -8.445 1.00 1.64 H new ATOM 0 HH11 ARG A 55 4.149 5.844 -5.543 1.00 2.65 H new ATOM 0 HH12 ARG A 55 4.259 7.304 -4.554 1.00 2.65 H new ATOM 0 HH21 ARG A 55 5.579 9.288 -7.135 1.00 3.15 H new ATOM 0 HH22 ARG A 55 5.061 9.229 -5.447 1.00 3.15 H new ATOM 829 N TYR A 56 8.667 1.954 -7.685 1.00 0.40 N ATOM 830 CA TYR A 56 9.922 2.079 -6.941 1.00 0.48 C ATOM 831 C TYR A 56 10.891 0.937 -7.164 1.00 0.49 C ATOM 832 O TYR A 56 11.958 0.910 -6.563 1.00 0.63 O ATOM 833 CB TYR A 56 9.672 2.297 -5.450 1.00 0.57 C ATOM 834 CG TYR A 56 9.044 3.632 -5.148 1.00 0.62 C ATOM 835 CD1 TYR A 56 9.825 4.775 -5.099 1.00 0.83 C ATOM 836 CD2 TYR A 56 7.680 3.760 -4.937 1.00 0.58 C ATOM 837 CE1 TYR A 56 9.273 6.005 -4.845 1.00 0.94 C ATOM 838 CE2 TYR A 56 7.115 4.993 -4.686 1.00 0.69 C ATOM 839 CZ TYR A 56 7.920 6.116 -4.643 1.00 0.87 C ATOM 840 OH TYR A 56 7.370 7.362 -4.396 1.00 1.01 O ATOM 0 H TYR A 56 7.990 1.310 -7.277 1.00 0.40 H new ATOM 0 HA TYR A 56 10.407 2.966 -7.349 1.00 0.48 H new ATOM 0 HB2 TYR A 56 9.024 1.504 -5.076 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.617 2.216 -4.913 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.889 4.696 -5.264 1.00 0.83 H new ATOM 0 HD2 TYR A 56 7.051 2.883 -4.970 1.00 0.58 H new ATOM 0 HE1 TYR A 56 9.901 6.883 -4.804 1.00 0.94 H new ATOM 0 HE2 TYR A 56 6.051 5.081 -4.524 1.00 0.69 H new ATOM 0 HH TYR A 56 6.533 7.257 -3.898 1.00 1.01 H new ATOM 850 N GLY A 57 10.533 0.002 -8.011 1.00 0.42 N ATOM 851 CA GLY A 57 11.440 -1.091 -8.318 1.00 0.47 C ATOM 852 C GLY A 57 11.585 -2.078 -7.177 1.00 0.48 C ATOM 853 O GLY A 57 12.642 -2.701 -7.005 1.00 0.64 O ATOM 0 H GLY A 57 9.636 -0.030 -8.496 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.080 -1.617 -9.203 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.420 -0.684 -8.566 1.00 0.47 H new ATOM 857 N VAL A 58 10.539 -2.227 -6.403 1.00 0.37 N ATOM 858 CA VAL A 58 10.553 -3.150 -5.291 1.00 0.39 C ATOM 859 C VAL A 58 9.713 -4.372 -5.612 1.00 0.37 C ATOM 860 O VAL A 58 9.052 -4.407 -6.663 1.00 0.39 O ATOM 861 CB VAL A 58 10.104 -2.511 -3.938 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.050 -1.392 -3.535 1.00 0.61 C ATOM 863 CG2 VAL A 58 8.671 -1.992 -4.012 1.00 0.50 C ATOM 0 H VAL A 58 9.662 -1.719 -6.522 1.00 0.37 H new ATOM 0 HA VAL A 58 11.593 -3.446 -5.151 1.00 0.39 H new ATOM 0 HB VAL A 58 10.138 -3.292 -3.178 1.00 0.47 H new ATOM 0 HG11 VAL A 58 10.720 -0.960 -2.590 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.058 -1.791 -3.419 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.051 -0.621 -4.306 1.00 0.61 H new ATOM 0 HG21 VAL A 58 8.393 -1.554 -3.053 1.00 0.50 H new ATOM 0 HG22 VAL A 58 8.598 -1.234 -4.792 1.00 0.50 H new ATOM 0 HG23 VAL A 58 7.997 -2.817 -4.244 1.00 0.50 H new ATOM 873 N SER A 59 9.727 -5.345 -4.737 1.00 0.42 N ATOM 874 CA SER A 59 8.975 -6.564 -4.911 1.00 0.50 C ATOM 875 C SER A 59 8.392 -7.038 -3.587 1.00 0.48 C ATOM 876 O SER A 59 9.123 -7.301 -2.617 1.00 0.61 O ATOM 877 CB SER A 59 9.851 -7.651 -5.549 1.00 0.68 C ATOM 878 OG SER A 59 10.271 -7.257 -6.861 1.00 1.55 O ATOM 0 H SER A 59 10.267 -5.314 -3.872 1.00 0.42 H new ATOM 0 HA SER A 59 8.143 -6.359 -5.585 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.724 -7.836 -4.923 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.295 -8.587 -5.605 1.00 0.68 H new ATOM 0 HG SER A 59 10.830 -7.961 -7.251 1.00 1.55 H new ATOM 884 N ILE A 60 7.088 -7.118 -3.553 1.00 0.42 N ATOM 885 CA ILE A 60 6.353 -7.536 -2.390 1.00 0.43 C ATOM 886 C ILE A 60 5.896 -8.970 -2.565 1.00 0.48 C ATOM 887 O ILE A 60 5.294 -9.315 -3.595 1.00 0.51 O ATOM 888 CB ILE A 60 5.110 -6.630 -2.158 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.549 -5.191 -1.888 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.229 -7.157 -1.017 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.403 -4.234 -1.692 1.00 0.50 C ATOM 0 H ILE A 60 6.495 -6.889 -4.351 1.00 0.42 H new ATOM 0 HA ILE A 60 7.011 -7.454 -1.525 1.00 0.43 H new ATOM 0 HB ILE A 60 4.507 -6.648 -3.066 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.181 -5.174 -1.000 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.161 -4.845 -2.721 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.371 -6.498 -0.885 1.00 0.44 H new ATOM 0 HG22 ILE A 60 3.881 -8.161 -1.260 1.00 0.44 H new ATOM 0 HG23 ILE A 60 4.808 -7.187 -0.094 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.793 -3.233 -1.505 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.783 -4.221 -2.588 1.00 0.50 H new ATOM 0 HD13 ILE A 60 3.803 -4.555 -0.840 1.00 0.50 H new ATOM 903 N PRO A 61 6.210 -9.836 -1.598 1.00 0.55 N ATOM 904 CA PRO A 61 5.739 -11.217 -1.593 1.00 0.61 C ATOM 905 C PRO A 61 4.220 -11.265 -1.492 1.00 0.52 C ATOM 906 O PRO A 61 3.630 -10.563 -0.659 1.00 0.43 O ATOM 907 CB PRO A 61 6.334 -11.791 -0.304 1.00 0.69 C ATOM 908 CG PRO A 61 7.486 -10.912 0.006 1.00 0.75 C ATOM 909 CD PRO A 61 7.083 -9.550 -0.445 1.00 0.63 C ATOM 0 HA PRO A 61 6.025 -11.756 -2.496 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.604 -11.786 0.505 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.651 -12.825 -0.441 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.710 -10.921 1.073 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.385 -11.246 -0.512 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.555 -9.004 0.337 1.00 0.63 H new ATOM 0 HD3 PRO A 61 7.945 -8.946 -0.729 1.00 0.63 H new ATOM 917 N ASP A 62 3.595 -12.093 -2.316 1.00 0.58 N ATOM 918 CA ASP A 62 2.124 -12.271 -2.317 1.00 0.57 C ATOM 919 C ASP A 62 1.652 -12.702 -0.949 1.00 0.48 C ATOM 920 O ASP A 62 0.569 -12.336 -0.504 1.00 0.49 O ATOM 921 CB ASP A 62 1.673 -13.332 -3.333 1.00 0.74 C ATOM 922 CG ASP A 62 2.026 -13.016 -4.757 1.00 1.16 C ATOM 923 OD1 ASP A 62 1.268 -12.269 -5.416 1.00 1.91 O ATOM 924 OD2 ASP A 62 3.081 -13.479 -5.241 1.00 1.38 O ATOM 0 H ASP A 62 4.079 -12.666 -3.007 1.00 0.58 H new ATOM 0 HA ASP A 62 1.690 -11.310 -2.593 1.00 0.57 H new ATOM 0 HB2 ASP A 62 2.121 -14.289 -3.064 1.00 0.74 H new ATOM 0 HB3 ASP A 62 0.592 -13.454 -3.258 1.00 0.74 H new ATOM 929 N ASP A 63 2.512 -13.436 -0.257 1.00 0.51 N ATOM 930 CA ASP A 63 2.192 -13.952 1.068 1.00 0.55 C ATOM 931 C ASP A 63 2.158 -12.813 2.043 1.00 0.45 C ATOM 932 O ASP A 63 1.307 -12.763 2.922 1.00 0.48 O ATOM 933 CB ASP A 63 3.250 -14.945 1.565 1.00 0.80 C ATOM 934 CG ASP A 63 3.524 -16.087 0.634 1.00 1.25 C ATOM 935 OD1 ASP A 63 2.585 -16.839 0.326 1.00 1.88 O ATOM 936 OD2 ASP A 63 4.668 -16.252 0.168 1.00 1.94 O ATOM 0 H ASP A 63 3.441 -13.689 -0.593 1.00 0.51 H new ATOM 0 HA ASP A 63 1.229 -14.458 0.997 1.00 0.55 H new ATOM 0 HB2 ASP A 63 4.181 -14.406 1.740 1.00 0.80 H new ATOM 0 HB3 ASP A 63 2.929 -15.347 2.526 1.00 0.80 H new ATOM 941 N VAL A 64 3.056 -11.863 1.857 1.00 0.43 N ATOM 942 CA VAL A 64 3.140 -10.742 2.753 1.00 0.43 C ATOM 943 C VAL A 64 2.069 -9.696 2.410 1.00 0.34 C ATOM 944 O VAL A 64 1.580 -9.003 3.278 1.00 0.37 O ATOM 945 CB VAL A 64 4.568 -10.122 2.827 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.630 -9.002 3.859 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.587 -11.197 3.179 1.00 0.70 C ATOM 0 H VAL A 64 3.732 -11.852 1.094 1.00 0.43 H new ATOM 0 HA VAL A 64 2.939 -11.117 3.756 1.00 0.43 H new ATOM 0 HB VAL A 64 4.802 -9.702 1.849 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.638 -8.589 3.888 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.924 -8.217 3.587 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.372 -9.398 4.841 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.581 -10.754 3.228 1.00 0.70 H new ATOM 0 HG22 VAL A 64 5.336 -11.634 4.146 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.574 -11.975 2.415 1.00 0.70 H new ATOM 957 N ALA A 65 1.660 -9.638 1.147 1.00 0.32 N ATOM 958 CA ALA A 65 0.554 -8.760 0.733 1.00 0.34 C ATOM 959 C ALA A 65 -0.758 -9.195 1.409 1.00 0.37 C ATOM 960 O ALA A 65 -1.659 -8.391 1.641 1.00 0.46 O ATOM 961 CB ALA A 65 0.407 -8.730 -0.782 1.00 0.42 C ATOM 0 H ALA A 65 2.071 -10.183 0.390 1.00 0.32 H new ATOM 0 HA ALA A 65 0.787 -7.746 1.057 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.419 -8.072 -1.055 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.329 -8.359 -1.230 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.205 -9.737 -1.148 1.00 0.42 H new ATOM 967 N GLY A 66 -0.841 -10.473 1.737 1.00 0.39 N ATOM 968 CA GLY A 66 -1.986 -10.982 2.459 1.00 0.50 C ATOM 969 C GLY A 66 -1.734 -10.996 3.958 1.00 0.52 C ATOM 970 O GLY A 66 -2.607 -11.361 4.750 1.00 0.73 O ATOM 0 H GLY A 66 -0.131 -11.171 1.515 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -2.859 -10.367 2.241 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.214 -11.992 2.117 1.00 0.50 H new ATOM 974 N ARG A 67 -0.540 -10.593 4.334 1.00 0.42 N ATOM 975 CA ARG A 67 -0.098 -10.585 5.719 1.00 0.50 C ATOM 976 C ARG A 67 -0.179 -9.160 6.297 1.00 0.49 C ATOM 977 O ARG A 67 -0.289 -8.976 7.516 1.00 0.60 O ATOM 978 CB ARG A 67 1.347 -11.121 5.776 1.00 0.56 C ATOM 979 CG ARG A 67 1.951 -11.271 7.160 1.00 1.09 C ATOM 980 CD ARG A 67 3.398 -11.724 7.055 1.00 1.24 C ATOM 981 NE ARG A 67 4.034 -11.907 8.366 1.00 2.11 N ATOM 982 CZ ARG A 67 5.357 -11.878 8.596 1.00 2.57 C ATOM 983 NH1 ARG A 67 6.220 -11.732 7.579 1.00 2.21 N ATOM 984 NH2 ARG A 67 5.812 -12.037 9.831 1.00 3.62 N ATOM 0 H ARG A 67 0.165 -10.256 3.679 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.745 -11.223 6.321 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.372 -12.093 5.284 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.983 -10.454 5.195 1.00 0.56 H new ATOM 0 HG2 ARG A 67 1.897 -10.322 7.693 1.00 1.09 H new ATOM 0 HG3 ARG A 67 1.377 -11.995 7.739 1.00 1.09 H new ATOM 0 HD2 ARG A 67 3.441 -12.662 6.501 1.00 1.24 H new ATOM 0 HD3 ARG A 67 3.963 -10.989 6.482 1.00 1.24 H new ATOM 0 HE ARG A 67 3.422 -12.069 9.166 1.00 2.11 H new ATOM 0 HH11 ARG A 67 5.873 -11.642 6.624 1.00 2.21 H new ATOM 0 HH12 ARG A 67 7.223 -11.711 7.761 1.00 2.21 H new ATOM 0 HH21 ARG A 67 5.158 -12.180 10.601 1.00 3.62 H new ATOM 0 HH22 ARG A 67 6.816 -12.016 10.011 1.00 3.62 H new ATOM 998 N VAL A 68 -0.173 -8.170 5.413 1.00 0.44 N ATOM 999 CA VAL A 68 -0.197 -6.767 5.808 1.00 0.44 C ATOM 1000 C VAL A 68 -1.588 -6.338 6.241 1.00 0.52 C ATOM 1001 O VAL A 68 -2.557 -6.333 5.467 1.00 0.94 O ATOM 1002 CB VAL A 68 0.363 -5.823 4.700 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.864 -6.008 4.557 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.317 -6.063 3.359 1.00 0.57 C ATOM 0 H VAL A 68 -0.151 -8.317 4.404 1.00 0.44 H new ATOM 0 HA VAL A 68 0.469 -6.675 6.666 1.00 0.44 H new ATOM 0 HB VAL A 68 0.152 -4.798 5.006 1.00 0.46 H new ATOM 0 HG11 VAL A 68 2.240 -5.343 3.780 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.351 -5.773 5.503 1.00 0.50 H new ATOM 0 HG13 VAL A 68 2.079 -7.041 4.285 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.100 -5.386 2.613 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.152 -7.094 3.047 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.387 -5.881 3.456 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.682 -6.004 7.487 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.941 -5.677 8.102 1.00 0.57 C ATOM 1016 C ASP A 69 -3.274 -4.217 7.896 1.00 0.40 C ATOM 1017 O ASP A 69 -4.317 -3.885 7.350 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.865 -5.978 9.590 1.00 0.94 C ATOM 1019 CG ASP A 69 -4.174 -5.821 10.307 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -5.030 -6.717 10.194 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -4.354 -4.821 11.028 1.00 2.46 O ATOM 0 H ASP A 69 -0.883 -5.948 8.118 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.724 -6.278 7.640 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -2.506 -6.998 9.727 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -2.129 -5.317 10.048 1.00 0.94 H new ATOM 1026 N THR A 70 -2.410 -3.357 8.295 1.00 0.35 N ATOM 1027 CA THR A 70 -2.654 -1.955 8.149 1.00 0.30 C ATOM 1028 C THR A 70 -1.821 -1.384 7.010 1.00 0.26 C ATOM 1029 O THR A 70 -0.775 -1.954 6.657 1.00 0.26 O ATOM 1030 CB THR A 70 -2.319 -1.222 9.456 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.011 -1.626 9.901 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.347 -1.537 10.523 1.00 0.52 C ATOM 0 H THR A 70 -1.518 -3.594 8.730 1.00 0.35 H new ATOM 0 HA THR A 70 -3.709 -1.811 7.918 1.00 0.30 H new ATOM 0 HB THR A 70 -2.332 -0.147 9.275 1.00 0.44 H new ATOM 0 HG1 THR A 70 -0.791 -1.160 10.734 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.092 -1.008 11.441 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.333 -1.220 10.183 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.357 -2.610 10.713 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.281 -0.283 6.375 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.492 0.431 5.383 1.00 0.28 C ATOM 1042 C PRO A 71 -0.203 0.916 6.014 1.00 0.27 C ATOM 1043 O PRO A 71 0.788 1.046 5.349 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.380 1.603 4.973 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.747 1.138 5.285 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.611 0.309 6.525 1.00 0.33 C ATOM 0 HA PRO A 71 -1.211 -0.184 4.528 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.129 2.507 5.527 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.269 1.837 3.914 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.421 1.979 5.447 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.160 0.552 4.464 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.684 0.916 7.427 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.388 -0.453 6.589 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.260 1.202 7.320 1.00 0.29 N ATOM 1055 CA ARG A 72 0.918 1.495 8.134 1.00 0.34 C ATOM 1056 C ARG A 72 1.968 0.389 7.957 1.00 0.32 C ATOM 1057 O ARG A 72 3.123 0.657 7.614 1.00 0.35 O ATOM 1058 CB ARG A 72 0.494 1.618 9.616 1.00 0.42 C ATOM 1059 CG ARG A 72 1.637 1.678 10.631 1.00 0.72 C ATOM 1060 CD ARG A 72 2.586 2.829 10.379 1.00 0.75 C ATOM 1061 NE ARG A 72 1.954 4.140 10.494 1.00 0.84 N ATOM 1062 CZ ARG A 72 2.540 5.277 10.128 1.00 1.44 C ATOM 1063 NH1 ARG A 72 3.681 5.243 9.437 1.00 2.34 N ATOM 1064 NH2 ARG A 72 1.960 6.439 10.390 1.00 1.57 N ATOM 0 H ARG A 72 -1.135 1.236 7.843 1.00 0.29 H new ATOM 0 HA ARG A 72 1.362 2.437 7.813 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.114 2.516 9.727 1.00 0.42 H new ATOM 0 HB3 ARG A 72 -0.143 0.769 9.864 1.00 0.42 H new ATOM 0 HG2 ARG A 72 1.221 1.769 11.634 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.193 0.741 10.600 1.00 0.72 H new ATOM 0 HD2 ARG A 72 3.413 2.770 11.087 1.00 0.75 H new ATOM 0 HD3 ARG A 72 3.013 2.726 9.381 1.00 0.75 H new ATOM 0 HE ARG A 72 1.010 4.187 10.877 1.00 0.84 H new ATOM 0 HH11 ARG A 72 4.102 4.347 9.191 1.00 2.34 H new ATOM 0 HH12 ARG A 72 4.133 6.113 9.155 1.00 2.34 H new ATOM 0 HH21 ARG A 72 1.062 6.463 10.873 1.00 1.57 H new ATOM 0 HH22 ARG A 72 2.411 7.309 10.108 1.00 1.57 H new ATOM 1078 N GLU A 73 1.533 -0.838 8.170 1.00 0.30 N ATOM 1079 CA GLU A 73 2.370 -2.018 8.046 1.00 0.31 C ATOM 1080 C GLU A 73 2.804 -2.245 6.579 1.00 0.30 C ATOM 1081 O GLU A 73 3.954 -2.614 6.308 1.00 0.33 O ATOM 1082 CB GLU A 73 1.606 -3.218 8.603 1.00 0.36 C ATOM 1083 CG GLU A 73 2.362 -4.519 8.611 1.00 0.42 C ATOM 1084 CD GLU A 73 1.588 -5.602 9.295 1.00 1.08 C ATOM 1085 OE1 GLU A 73 0.763 -6.268 8.630 1.00 1.74 O ATOM 1086 OE2 GLU A 73 1.786 -5.823 10.488 1.00 1.68 O ATOM 0 H GLU A 73 0.572 -1.047 8.439 1.00 0.30 H new ATOM 0 HA GLU A 73 3.286 -1.880 8.620 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.299 -2.990 9.624 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.695 -3.350 8.019 1.00 0.36 H new ATOM 0 HG2 GLU A 73 2.581 -4.819 7.586 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.319 -4.381 9.115 1.00 0.42 H new ATOM 1093 N LEU A 74 1.893 -1.995 5.651 1.00 0.28 N ATOM 1094 CA LEU A 74 2.167 -2.141 4.217 1.00 0.31 C ATOM 1095 C LEU A 74 3.197 -1.078 3.775 1.00 0.31 C ATOM 1096 O LEU A 74 4.146 -1.383 3.045 1.00 0.34 O ATOM 1097 CB LEU A 74 0.817 -2.071 3.427 1.00 0.32 C ATOM 1098 CG LEU A 74 0.805 -2.316 1.885 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.301 -1.104 1.102 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.633 -3.544 1.523 1.00 0.50 C ATOM 0 H LEU A 74 0.944 -1.686 5.863 1.00 0.28 H new ATOM 0 HA LEU A 74 2.613 -3.112 3.999 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.140 -2.797 3.877 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.389 -1.084 3.602 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.234 -2.489 1.604 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.274 -1.324 0.035 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.660 -0.248 1.312 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.324 -0.873 1.399 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.609 -3.694 0.444 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.663 -3.396 1.846 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.219 -4.421 2.020 1.00 0.50 H new ATOM 1112 N LEU A 75 3.007 0.150 4.245 1.00 0.32 N ATOM 1113 CA LEU A 75 3.939 1.250 4.021 1.00 0.34 C ATOM 1114 C LEU A 75 5.299 0.860 4.541 1.00 0.33 C ATOM 1115 O LEU A 75 6.286 0.950 3.833 1.00 0.31 O ATOM 1116 CB LEU A 75 3.463 2.524 4.746 1.00 0.38 C ATOM 1117 CG LEU A 75 4.362 3.763 4.625 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.465 4.219 3.184 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.848 4.889 5.506 1.00 0.52 C ATOM 0 H LEU A 75 2.192 0.413 4.799 1.00 0.32 H new ATOM 0 HA LEU A 75 3.989 1.455 2.952 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.475 2.782 4.366 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.347 2.290 5.804 1.00 0.38 H new ATOM 0 HG LEU A 75 5.360 3.489 4.966 1.00 0.45 H new ATOM 0 HD11 LEU A 75 5.107 5.098 3.125 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.890 3.418 2.578 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.472 4.469 2.810 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.500 5.757 5.405 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.837 5.157 5.201 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.838 4.562 6.546 1.00 0.52 H new ATOM 1131 N ASP A 76 5.311 0.378 5.776 1.00 0.35 N ATOM 1132 CA ASP A 76 6.528 -0.065 6.466 1.00 0.37 C ATOM 1133 C ASP A 76 7.253 -1.157 5.687 1.00 0.34 C ATOM 1134 O ASP A 76 8.479 -1.169 5.613 1.00 0.35 O ATOM 1135 CB ASP A 76 6.179 -0.557 7.868 1.00 0.45 C ATOM 1136 CG ASP A 76 7.356 -1.149 8.597 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.203 -0.390 9.076 1.00 0.69 O ATOM 1138 OD2 ASP A 76 7.469 -2.378 8.673 1.00 0.59 O ATOM 0 H ASP A 76 4.467 0.280 6.340 1.00 0.35 H new ATOM 0 HA ASP A 76 7.203 0.788 6.538 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.780 0.274 8.449 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.389 -1.305 7.798 1.00 0.45 H new ATOM 1143 N LEU A 77 6.482 -2.035 5.073 1.00 0.34 N ATOM 1144 CA LEU A 77 7.025 -3.103 4.255 1.00 0.35 C ATOM 1145 C LEU A 77 7.777 -2.513 3.064 1.00 0.34 C ATOM 1146 O LEU A 77 8.918 -2.879 2.793 1.00 0.43 O ATOM 1147 CB LEU A 77 5.898 -4.015 3.758 1.00 0.38 C ATOM 1148 CG LEU A 77 6.303 -5.147 2.815 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.207 -6.152 3.513 1.00 1.15 C ATOM 1150 CD2 LEU A 77 5.071 -5.822 2.247 1.00 1.54 C ATOM 0 H LEU A 77 5.463 -2.028 5.127 1.00 0.34 H new ATOM 0 HA LEU A 77 7.715 -3.693 4.859 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.406 -4.454 4.626 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.157 -3.397 3.251 1.00 0.38 H new ATOM 0 HG LEU A 77 6.872 -4.718 1.990 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.477 -6.945 2.815 1.00 1.15 H new ATOM 0 HD12 LEU A 77 8.110 -5.650 3.859 1.00 1.15 H new ATOM 0 HD13 LEU A 77 6.682 -6.583 4.366 1.00 1.15 H new ATOM 0 HD21 LEU A 77 5.373 -6.627 1.577 1.00 1.54 H new ATOM 0 HD22 LEU A 77 4.473 -6.233 3.061 1.00 1.54 H new ATOM 0 HD23 LEU A 77 4.479 -5.093 1.694 1.00 1.54 H new ATOM 1162 N ILE A 78 7.153 -1.566 2.386 1.00 0.27 N ATOM 1163 CA ILE A 78 7.781 -0.940 1.244 1.00 0.26 C ATOM 1164 C ILE A 78 8.897 0.002 1.691 1.00 0.28 C ATOM 1165 O ILE A 78 9.880 0.163 1.009 1.00 0.33 O ATOM 1166 CB ILE A 78 6.758 -0.238 0.299 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.761 -1.288 -0.212 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.460 0.461 -0.876 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.769 -0.786 -1.235 1.00 0.29 C ATOM 0 H ILE A 78 6.220 -1.218 2.606 1.00 0.27 H new ATOM 0 HA ILE A 78 8.231 -1.733 0.647 1.00 0.26 H new ATOM 0 HB ILE A 78 6.231 0.535 0.858 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.321 -2.116 -0.647 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.210 -1.688 0.639 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.715 0.939 -1.513 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.147 1.215 -0.493 1.00 0.25 H new ATOM 0 HG23 ILE A 78 8.016 -0.275 -1.457 1.00 0.25 H new ATOM 0 HD11 ILE A 78 4.110 -1.601 -1.533 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.177 0.020 -0.802 1.00 0.29 H new ATOM 0 HD13 ILE A 78 5.304 -0.414 -2.109 1.00 0.29 H new ATOM 1181 N ASN A 79 8.757 0.566 2.872 1.00 0.28 N ATOM 1182 CA ASN A 79 9.805 1.407 3.464 1.00 0.32 C ATOM 1183 C ASN A 79 11.050 0.576 3.717 1.00 0.34 C ATOM 1184 O ASN A 79 12.167 0.994 3.398 1.00 0.37 O ATOM 1185 CB ASN A 79 9.329 2.092 4.766 1.00 0.37 C ATOM 1186 CG ASN A 79 8.480 3.352 4.552 1.00 0.43 C ATOM 1187 OD1 ASN A 79 7.786 3.441 3.446 1.00 1.24 O flip ATOM 1188 ND2 ASN A 79 8.467 4.249 5.386 1.00 0.69 N flip ATOM 0 H ASN A 79 7.925 0.463 3.454 1.00 0.28 H new ATOM 0 HA ASN A 79 10.041 2.200 2.755 1.00 0.32 H new ATOM 0 HB2 ASN A 79 8.750 1.375 5.348 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.202 2.355 5.363 1.00 0.37 H new ATOM 0 HD21 ASN A 79 9.016 4.158 6.241 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.907 5.087 5.225 1.00 0.69 H new ATOM 1195 N GLY A 80 10.842 -0.623 4.243 1.00 0.37 N ATOM 1196 CA GLY A 80 11.924 -1.552 4.464 1.00 0.43 C ATOM 1197 C GLY A 80 12.508 -2.039 3.155 1.00 0.42 C ATOM 1198 O GLY A 80 13.706 -2.273 3.051 1.00 0.50 O ATOM 0 H GLY A 80 9.925 -0.970 4.524 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.703 -1.072 5.056 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.563 -2.403 5.042 1.00 0.43 H new ATOM 1202 N ALA A 81 11.657 -2.161 2.146 1.00 0.38 N ATOM 1203 CA ALA A 81 12.068 -2.598 0.814 1.00 0.40 C ATOM 1204 C ALA A 81 12.862 -1.497 0.107 1.00 0.37 C ATOM 1205 O ALA A 81 13.801 -1.766 -0.640 1.00 0.44 O ATOM 1206 CB ALA A 81 10.850 -3.000 -0.015 1.00 0.42 C ATOM 0 H ALA A 81 10.660 -1.960 2.225 1.00 0.38 H new ATOM 0 HA ALA A 81 12.714 -3.469 0.921 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.174 -3.323 -1.004 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.327 -3.818 0.480 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.179 -2.147 -0.113 1.00 0.42 H new ATOM 1212 N LEU A 82 12.500 -0.258 0.383 1.00 0.35 N ATOM 1213 CA LEU A 82 13.166 0.911 -0.177 1.00 0.39 C ATOM 1214 C LEU A 82 14.541 1.123 0.407 1.00 0.53 C ATOM 1215 O LEU A 82 15.315 1.919 -0.116 1.00 0.67 O ATOM 1216 CB LEU A 82 12.334 2.179 0.002 1.00 0.39 C ATOM 1217 CG LEU A 82 11.078 2.293 -0.850 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.347 3.579 -0.524 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.436 2.249 -2.325 1.00 0.49 C ATOM 0 H LEU A 82 11.728 -0.029 1.008 1.00 0.35 H new ATOM 0 HA LEU A 82 13.275 0.709 -1.243 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.043 2.251 1.050 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.970 3.038 -0.212 1.00 0.39 H new ATOM 0 HG LEU A 82 10.424 1.450 -0.628 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.449 3.653 -1.138 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.067 3.581 0.529 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.998 4.429 -0.729 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.528 2.332 -2.922 1.00 0.49 H new ATOM 0 HD22 LEU A 82 12.103 3.078 -2.562 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.934 1.306 -2.551 1.00 0.49 H new ATOM 1231 N ALA A 83 14.851 0.420 1.478 1.00 0.63 N ATOM 1232 CA ALA A 83 16.141 0.553 2.128 1.00 0.81 C ATOM 1233 C ALA A 83 17.285 0.150 1.196 1.00 0.84 C ATOM 1234 O ALA A 83 18.343 0.763 1.220 1.00 1.00 O ATOM 1235 CB ALA A 83 16.183 -0.238 3.420 1.00 0.99 C ATOM 0 H ALA A 83 14.224 -0.253 1.919 1.00 0.63 H new ATOM 0 HA ALA A 83 16.277 1.606 2.374 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.161 -0.121 3.887 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.412 0.129 4.097 1.00 0.99 H new ATOM 0 HB3 ALA A 83 16.007 -1.292 3.207 1.00 0.99 H new ATOM 1241 N GLU A 84 17.067 -0.848 0.357 1.00 0.79 N ATOM 1242 CA GLU A 84 18.097 -1.254 -0.592 1.00 0.94 C ATOM 1243 C GLU A 84 17.660 -0.985 -2.033 1.00 0.95 C ATOM 1244 O GLU A 84 18.311 -1.422 -2.991 1.00 1.34 O ATOM 1245 CB GLU A 84 18.468 -2.725 -0.400 1.00 1.11 C ATOM 1246 CG GLU A 84 18.946 -3.036 1.004 1.00 1.64 C ATOM 1247 CD GLU A 84 19.417 -4.447 1.170 1.00 1.84 C ATOM 1248 OE1 GLU A 84 18.611 -5.335 1.466 1.00 2.18 O ATOM 1249 OE2 GLU A 84 20.627 -4.691 1.039 1.00 2.22 O ATOM 0 H GLU A 84 16.202 -1.386 0.310 1.00 0.79 H new ATOM 0 HA GLU A 84 18.985 -0.653 -0.396 1.00 0.94 H new ATOM 0 HB2 GLU A 84 17.602 -3.345 -0.629 1.00 1.11 H new ATOM 0 HB3 GLU A 84 19.249 -2.993 -1.112 1.00 1.11 H new ATOM 0 HG2 GLU A 84 19.758 -2.356 1.263 1.00 1.64 H new ATOM 0 HG3 GLU A 84 18.135 -2.846 1.707 1.00 1.64 H new ATOM 1256 N ALA A 85 16.591 -0.228 -2.184 1.00 0.92 N ATOM 1257 CA ALA A 85 16.062 0.076 -3.501 1.00 1.13 C ATOM 1258 C ALA A 85 16.198 1.559 -3.814 1.00 1.45 C ATOM 1259 O ALA A 85 17.122 1.949 -4.530 1.00 2.15 O ATOM 1260 CB ALA A 85 14.616 -0.386 -3.633 1.00 1.72 C ATOM 0 H ALA A 85 16.071 0.188 -1.412 1.00 0.92 H new ATOM 0 HA ALA A 85 16.652 -0.474 -4.234 1.00 1.13 H new ATOM 0 HB1 ALA A 85 14.247 -0.145 -4.630 1.00 1.72 H new ATOM 0 HB2 ALA A 85 14.563 -1.463 -3.477 1.00 1.72 H new ATOM 0 HB3 ALA A 85 14.003 0.119 -2.887 1.00 1.72 H new ATOM 1266 N ALA A 86 15.283 2.361 -3.252 1.00 1.81 N ATOM 1267 CA ALA A 86 15.247 3.823 -3.391 1.00 2.61 C ATOM 1268 C ALA A 86 15.225 4.253 -4.857 1.00 2.71 C ATOM 1269 O ALA A 86 16.262 4.712 -5.381 1.00 3.04 O ATOM 1270 CB ALA A 86 16.403 4.480 -2.630 1.00 3.54 C ATOM 1271 OXT ALA A 86 14.183 4.082 -5.517 1.00 3.10 O ATOM 0 H ALA A 86 14.526 2.000 -2.672 1.00 1.81 H new ATOM 0 HA ALA A 86 14.316 4.170 -2.943 1.00 2.61 H new ATOM 0 HB1 ALA A 86 16.350 5.562 -2.751 1.00 3.54 H new ATOM 0 HB2 ALA A 86 16.331 4.230 -1.572 1.00 3.54 H new ATOM 0 HB3 ALA A 86 17.352 4.117 -3.025 1.00 3.54 H new TER 1277 ALA A 86 HETATM 1278 O23 PSR A 87 -10.265 -11.929 -2.427 1.00 1.31 O HETATM 1279 P24 PSR A 87 -9.627 -11.136 -3.609 1.00 1.02 P HETATM 1280 O26 PSR A 87 -10.465 -11.002 -4.915 1.00 1.20 O HETATM 1281 O27 PSR A 87 -8.256 -11.782 -3.960 1.00 0.86 O HETATM 1282 C28 PSR A 87 -7.441 -11.132 -4.998 1.00 0.77 C HETATM 1283 C29 PSR A 87 -6.034 -11.753 -5.139 1.00 0.82 C HETATM 1284 C30 PSR A 87 -5.299 -10.919 -6.158 1.00 0.94 C HETATM 1285 C31 PSR A 87 -5.291 -11.648 -3.803 1.00 0.94 C HETATM 1286 C32 PSR A 87 -6.082 -13.269 -5.652 1.00 0.97 C HETATM 1287 O33 PSR A 87 -6.984 -13.349 -6.749 1.00 1.07 O HETATM 1288 C34 PSR A 87 -6.623 -14.266 -4.612 1.00 1.04 C HETATM 1289 O35 PSR A 87 -7.790 -14.685 -4.720 1.00 1.12 O HETATM 1290 N36 PSR A 87 -5.790 -14.685 -3.671 1.00 1.17 N HETATM 1291 C37 PSR A 87 -6.135 -15.661 -2.639 1.00 1.38 C HETATM 1292 C38 PSR A 87 -4.927 -16.150 -1.803 1.00 1.65 C HETATM 1293 C39 PSR A 87 -4.533 -15.309 -0.584 1.00 1.64 C HETATM 1294 O40 PSR A 87 -3.606 -15.658 0.167 1.00 2.45 O HETATM 1295 N41 PSR A 87 -5.254 -14.249 -0.371 1.00 1.40 N HETATM 1296 C42 PSR A 87 -5.086 -13.344 0.738 1.00 1.54 C HETATM 1297 C43 PSR A 87 -6.357 -12.581 0.899 1.00 1.34 C HETATM 1298 S1 PSR A 87 -6.358 -11.277 -0.232 1.00 1.78 S HETATM 1299 C1 PSR A 87 -5.239 -10.227 0.595 1.00 1.60 C HETATM 1300 O1 PSR A 87 -4.960 -10.319 1.798 1.00 2.22 O HETATM 1301 C2 PSR A 87 -4.607 -9.160 -0.263 1.00 1.64 C HETATM 1302 C3 PSR A 87 -3.596 -9.731 -1.233 1.00 1.78 C HETATM 1303 C4 PSR A 87 -2.994 -8.617 -2.036 1.00 1.76 C HETATM 0 HC43 PSR A 87 -3.779 -8.102 -2.589 1.00 1.76 H new HETATM 0 HC42 PSR A 87 -2.500 -7.912 -1.367 1.00 1.76 H new HETATM 0 HC41 PSR A 87 -2.265 -9.026 -2.736 1.00 1.76 H new HETATM 0 HC32 PSR A 87 -2.816 -10.266 -0.690 1.00 1.78 H new HETATM 0 HC31 PSR A 87 -4.077 -10.452 -1.894 1.00 1.78 H new HETATM 0 HC22 PSR A 87 -5.384 -8.635 -0.818 1.00 1.64 H new HETATM 0 HC21 PSR A 87 -4.119 -8.424 0.376 1.00 1.64 H new HETATM 0 H432 PSR A 87 -7.214 -13.232 0.728 1.00 1.34 H new HETATM 0 H431 PSR A 87 -6.444 -12.200 1.917 1.00 1.34 H new HETATM 0 H422 PSR A 87 -4.853 -13.895 1.649 1.00 1.54 H new HETATM 0 H421 PSR A 87 -4.253 -12.665 0.554 1.00 1.54 H new HETATM 0 H411 PSR A 87 -5.996 -14.042 -1.040 1.00 1.40 H new HETATM 0 H382 PSR A 87 -5.141 -17.162 -1.460 1.00 1.65 H new HETATM 0 H381 PSR A 87 -4.062 -16.213 -2.464 1.00 1.65 H new HETATM 0 H372 PSR A 87 -6.872 -15.220 -1.969 1.00 1.38 H new HETATM 0 H371 PSR A 87 -6.608 -16.522 -3.112 1.00 1.38 H new HETATM 0 H361 PSR A 87 -4.845 -14.301 -3.666 1.00 1.17 H new HETATM 0 H331 PSR A 87 -7.756 -13.899 -6.499 1.00 1.07 H new HETATM 0 H321 PSR A 87 -5.052 -13.531 -5.894 1.00 0.97 H new HETATM 0 H313 PSR A 87 -5.198 -10.600 -3.520 1.00 0.94 H new HETATM 0 H312 PSR A 87 -5.848 -12.183 -3.034 1.00 0.94 H new HETATM 0 H311 PSR A 87 -4.298 -12.087 -3.903 1.00 0.94 H new HETATM 0 H303 PSR A 87 -5.835 -10.948 -7.107 1.00 0.94 H new HETATM 0 H302 PSR A 87 -5.237 -9.889 -5.808 1.00 0.94 H new HETATM 0 H301 PSR A 87 -4.294 -11.316 -6.297 1.00 0.94 H new HETATM 0 H282 PSR A 87 -7.959 -11.200 -5.954 1.00 0.77 H new HETATM 0 H281 PSR A 87 -7.342 -10.072 -4.764 1.00 0.77 H new