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 144:sc= 0.686 USER MOD Set 1.2: A 40 TYR OH : rot -53:sc= -1.23 USER MOD Set 1.3: A 48 THR OG1 : rot 77:sc= 1.37 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0821 (180deg=-0.542) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.166 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -61:sc= 1.28 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 130:sc= 0.0667 USER MOD Single : A 46 MET CE :methyl 136:sc= -0.324 (180deg=-1.53) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.293 USER MOD Single : A 79 ASN : amide:sc= -0.126 K(o=-0.13,f=-12!) USER MOD Single : A 87 PSR O33 : rot -116:sc= 0.288 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.883 10.590 2.987 1.00 3.26 N ATOM 2 CA MET A 1 18.498 10.388 3.371 1.00 3.05 C ATOM 3 C MET A 1 17.982 9.157 2.677 1.00 2.56 C ATOM 4 O MET A 1 18.591 8.672 1.719 1.00 2.94 O ATOM 5 CB MET A 1 17.612 11.592 2.997 1.00 3.74 C ATOM 6 CG MET A 1 17.370 11.770 1.500 1.00 4.31 C ATOM 7 SD MET A 1 16.244 13.129 1.138 1.00 5.28 S ATOM 8 CE MET A 1 17.201 14.509 1.753 1.00 5.97 C ATOM 0 H1 MET A 1 20.493 10.495 3.824 1.00 3.26 H new ATOM 0 H2 MET A 1 20.154 9.878 2.279 1.00 3.26 H new ATOM 0 H3 MET A 1 19.996 11.541 2.582 1.00 3.26 H new ATOM 0 HA MET A 1 18.457 10.274 4.454 1.00 3.05 H new ATOM 0 HB2 MET A 1 16.649 11.485 3.496 1.00 3.74 H new ATOM 0 HB3 MET A 1 18.074 12.499 3.386 1.00 3.74 H new ATOM 0 HG2 MET A 1 18.322 11.949 1.000 1.00 4.31 H new ATOM 0 HG3 MET A 1 16.963 10.846 1.089 1.00 4.31 H new ATOM 0 HE1 MET A 1 16.814 15.437 1.332 1.00 5.97 H new ATOM 0 HE2 MET A 1 17.129 14.546 2.840 1.00 5.97 H new ATOM 0 HE3 MET A 1 18.244 14.386 1.463 1.00 5.97 H new ATOM 20 N ALA A 2 16.886 8.653 3.136 1.00 2.10 N ATOM 21 CA ALA A 2 16.270 7.533 2.521 1.00 1.73 C ATOM 22 C ALA A 2 15.042 8.007 1.792 1.00 1.51 C ATOM 23 O ALA A 2 14.168 8.657 2.393 1.00 1.50 O ATOM 24 CB ALA A 2 15.906 6.489 3.565 1.00 1.60 C ATOM 0 H ALA A 2 16.392 9.011 3.953 1.00 2.10 H new ATOM 0 HA ALA A 2 16.959 7.069 1.816 1.00 1.73 H new ATOM 0 HB1 ALA A 2 15.434 5.636 3.077 1.00 1.60 H new ATOM 0 HB2 ALA A 2 16.808 6.159 4.080 1.00 1.60 H new ATOM 0 HB3 ALA A 2 15.214 6.922 4.287 1.00 1.60 H new ATOM 30 N THR A 3 14.991 7.764 0.510 1.00 1.47 N ATOM 31 CA THR A 3 13.833 8.107 -0.238 1.00 1.37 C ATOM 32 C THR A 3 12.787 7.013 0.022 1.00 1.07 C ATOM 33 O THR A 3 12.936 5.841 -0.371 1.00 1.10 O ATOM 34 CB THR A 3 14.167 8.302 -1.759 1.00 1.63 C ATOM 35 OG1 THR A 3 13.003 8.725 -2.486 1.00 2.22 O ATOM 36 CG2 THR A 3 14.760 7.051 -2.403 1.00 2.02 C ATOM 0 H THR A 3 15.741 7.330 -0.029 1.00 1.47 H new ATOM 0 HA THR A 3 13.431 9.069 0.079 1.00 1.37 H new ATOM 0 HB THR A 3 14.928 9.080 -1.808 1.00 1.63 H new ATOM 0 HG1 THR A 3 13.233 8.843 -3.431 1.00 2.22 H new ATOM 0 HG21 THR A 3 14.970 7.248 -3.454 1.00 2.02 H new ATOM 0 HG22 THR A 3 15.685 6.782 -1.892 1.00 2.02 H new ATOM 0 HG23 THR A 3 14.049 6.229 -2.323 1.00 2.02 H new ATOM 44 N LEU A 4 11.809 7.380 0.789 1.00 0.91 N ATOM 45 CA LEU A 4 10.796 6.471 1.221 1.00 0.65 C ATOM 46 C LEU A 4 9.442 7.017 0.847 1.00 0.63 C ATOM 47 O LEU A 4 9.330 8.143 0.323 1.00 0.84 O ATOM 48 CB LEU A 4 10.872 6.281 2.747 1.00 0.62 C ATOM 49 CG LEU A 4 12.191 5.745 3.318 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.113 5.652 4.832 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.536 4.388 2.722 1.00 0.51 C ATOM 0 H LEU A 4 11.691 8.332 1.137 1.00 0.91 H new ATOM 0 HA LEU A 4 10.950 5.507 0.736 1.00 0.65 H new ATOM 0 HB2 LEU A 4 10.664 7.242 3.219 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.073 5.601 3.044 1.00 0.62 H new ATOM 0 HG LEU A 4 12.983 6.444 3.048 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.056 5.270 5.222 1.00 0.80 H new ATOM 0 HD12 LEU A 4 11.922 6.641 5.248 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.304 4.978 5.114 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.476 4.033 3.145 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.743 3.677 2.953 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.637 4.481 1.641 1.00 0.51 H new ATOM 63 N LEU A 5 8.438 6.250 1.105 1.00 0.44 N ATOM 64 CA LEU A 5 7.090 6.640 0.864 1.00 0.40 C ATOM 65 C LEU A 5 6.573 7.353 2.078 1.00 0.35 C ATOM 66 O LEU A 5 6.746 6.881 3.219 1.00 0.41 O ATOM 67 CB LEU A 5 6.213 5.422 0.637 1.00 0.41 C ATOM 68 CG LEU A 5 6.523 4.537 -0.544 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.647 3.316 -0.479 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.274 5.274 -1.833 1.00 0.81 C ATOM 0 H LEU A 5 8.533 5.314 1.498 1.00 0.44 H new ATOM 0 HA LEU A 5 7.064 7.279 -0.018 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.257 4.807 1.536 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.184 5.766 0.536 1.00 0.41 H new ATOM 0 HG LEU A 5 7.573 4.246 -0.511 1.00 0.59 H new ATOM 0 HD11 LEU A 5 5.862 2.668 -1.329 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.843 2.777 0.448 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.600 3.617 -0.509 1.00 0.72 H new ATOM 0 HD21 LEU A 5 6.503 4.621 -2.675 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.228 5.577 -1.882 1.00 0.81 H new ATOM 0 HD23 LEU A 5 6.911 6.158 -1.876 1.00 0.81 H new ATOM 82 N THR A 6 5.974 8.467 1.868 1.00 0.37 N ATOM 83 CA THR A 6 5.366 9.166 2.930 1.00 0.42 C ATOM 84 C THR A 6 3.875 8.896 2.903 1.00 0.35 C ATOM 85 O THR A 6 3.403 8.100 2.061 1.00 0.34 O ATOM 86 CB THR A 6 5.659 10.683 2.875 1.00 0.59 C ATOM 87 OG1 THR A 6 5.207 11.233 1.619 1.00 0.65 O ATOM 88 CG2 THR A 6 7.152 10.938 3.030 1.00 0.72 C ATOM 0 H THR A 6 5.893 8.916 0.956 1.00 0.37 H new ATOM 0 HA THR A 6 5.788 8.809 3.869 1.00 0.42 H new ATOM 0 HB THR A 6 5.125 11.166 3.693 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.687 10.801 0.881 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.344 12.010 2.989 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.491 10.545 3.988 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.692 10.442 2.223 1.00 0.72 H new ATOM 96 N THR A 7 3.145 9.529 3.790 1.00 0.40 N ATOM 97 CA THR A 7 1.713 9.422 3.826 1.00 0.43 C ATOM 98 C THR A 7 1.132 9.796 2.447 1.00 0.41 C ATOM 99 O THR A 7 0.349 9.048 1.895 1.00 0.43 O ATOM 100 CB THR A 7 1.136 10.328 4.932 1.00 0.58 C ATOM 101 OG1 THR A 7 1.812 10.045 6.196 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.364 10.083 5.104 1.00 0.66 C ATOM 0 H THR A 7 3.535 10.136 4.511 1.00 0.40 H new ATOM 0 HA THR A 7 1.433 8.394 4.055 1.00 0.43 H new ATOM 0 HB THR A 7 1.295 11.367 4.645 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.447 10.622 6.899 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.751 10.732 5.889 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.878 10.300 4.168 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.534 9.042 5.378 1.00 0.66 H new ATOM 110 N ASP A 8 1.580 10.937 1.884 1.00 0.44 N ATOM 111 CA ASP A 8 1.113 11.401 0.553 1.00 0.51 C ATOM 112 C ASP A 8 1.395 10.388 -0.552 1.00 0.47 C ATOM 113 O ASP A 8 0.525 10.118 -1.386 1.00 0.52 O ATOM 114 CB ASP A 8 1.722 12.750 0.166 1.00 0.63 C ATOM 115 CG ASP A 8 1.291 13.198 -1.231 1.00 1.46 C ATOM 116 OD1 ASP A 8 0.073 13.390 -1.458 1.00 1.63 O ATOM 117 OD2 ASP A 8 2.144 13.350 -2.114 1.00 2.38 O ATOM 0 H ASP A 8 2.262 11.555 2.325 1.00 0.44 H new ATOM 0 HA ASP A 8 0.033 11.515 0.650 1.00 0.51 H new ATOM 0 HB2 ASP A 8 1.425 13.504 0.895 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.809 12.681 0.204 1.00 0.63 H new ATOM 122 N ASP A 9 2.584 9.783 -0.516 1.00 0.45 N ATOM 123 CA ASP A 9 2.999 8.818 -1.549 1.00 0.49 C ATOM 124 C ASP A 9 2.095 7.628 -1.530 1.00 0.47 C ATOM 125 O ASP A 9 1.643 7.159 -2.570 1.00 0.56 O ATOM 126 CB ASP A 9 4.424 8.296 -1.329 1.00 0.60 C ATOM 127 CG ASP A 9 5.515 9.309 -1.474 1.00 1.11 C ATOM 128 OD1 ASP A 9 6.019 9.498 -2.597 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.949 9.872 -0.451 1.00 2.00 O ATOM 0 H ASP A 9 3.279 9.941 0.214 1.00 0.45 H new ATOM 0 HA ASP A 9 2.952 9.351 -2.498 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.483 7.866 -0.329 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.608 7.487 -2.036 1.00 0.60 H new ATOM 134 N LEU A 10 1.844 7.140 -0.345 1.00 0.42 N ATOM 135 CA LEU A 10 0.985 6.009 -0.158 1.00 0.44 C ATOM 136 C LEU A 10 -0.459 6.390 -0.502 1.00 0.42 C ATOM 137 O LEU A 10 -1.129 5.699 -1.255 1.00 0.50 O ATOM 138 CB LEU A 10 1.078 5.529 1.287 1.00 0.45 C ATOM 139 CG LEU A 10 0.389 4.210 1.603 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.088 3.049 0.907 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.339 3.991 3.089 1.00 0.80 C ATOM 0 H LEU A 10 2.232 7.519 0.519 1.00 0.42 H new ATOM 0 HA LEU A 10 1.299 5.201 -0.819 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.132 5.437 1.550 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.655 6.299 1.932 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.633 4.257 1.226 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.576 2.118 1.149 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.066 3.205 -0.172 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.123 2.992 1.245 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.157 3.044 3.301 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.353 3.967 3.488 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.216 4.803 3.558 1.00 0.80 H new ATOM 153 N ARG A 11 -0.891 7.533 0.027 1.00 0.40 N ATOM 154 CA ARG A 11 -2.256 8.051 -0.114 1.00 0.41 C ATOM 155 C ARG A 11 -2.706 8.070 -1.566 1.00 0.40 C ATOM 156 O ARG A 11 -3.750 7.519 -1.895 1.00 0.42 O ATOM 157 CB ARG A 11 -2.347 9.454 0.513 1.00 0.48 C ATOM 158 CG ARG A 11 -3.742 10.055 0.577 1.00 0.58 C ATOM 159 CD ARG A 11 -3.722 11.409 1.289 1.00 0.72 C ATOM 160 NE ARG A 11 -2.751 12.345 0.688 1.00 1.24 N ATOM 161 CZ ARG A 11 -2.227 13.432 1.301 1.00 1.74 C ATOM 162 NH1 ARG A 11 -2.678 13.823 2.491 1.00 2.01 N ATOM 163 NH2 ARG A 11 -1.274 14.136 0.707 1.00 2.57 N ATOM 0 H ARG A 11 -0.288 8.142 0.580 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.932 7.381 0.417 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.944 9.407 1.525 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.706 10.128 -0.055 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.137 10.176 -0.432 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.412 9.374 1.102 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -4.718 11.850 1.253 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -3.477 11.260 2.341 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.450 12.157 -0.268 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -3.425 13.302 2.950 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -2.276 14.644 2.944 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -0.934 13.859 -0.214 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -0.881 14.955 1.171 1.00 2.57 H new ATOM 177 N ARG A 12 -1.895 8.661 -2.429 1.00 0.43 N ATOM 178 CA ARG A 12 -2.209 8.730 -3.856 1.00 0.49 C ATOM 179 C ARG A 12 -2.385 7.346 -4.498 1.00 0.49 C ATOM 180 O ARG A 12 -3.230 7.176 -5.372 1.00 0.59 O ATOM 181 CB ARG A 12 -1.199 9.596 -4.615 1.00 0.64 C ATOM 182 CG ARG A 12 0.249 9.216 -4.410 1.00 0.85 C ATOM 183 CD ARG A 12 1.156 10.213 -5.075 1.00 1.00 C ATOM 184 NE ARG A 12 2.574 10.010 -4.748 1.00 1.77 N ATOM 185 CZ ARG A 12 3.547 10.851 -5.132 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.228 11.967 -5.782 1.00 2.51 N ATOM 187 NH2 ARG A 12 4.813 10.623 -4.796 1.00 3.48 N ATOM 0 H ARG A 12 -1.012 9.102 -2.170 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.180 9.219 -3.935 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.426 9.543 -5.680 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.333 10.634 -4.312 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.471 9.169 -3.344 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.431 8.222 -4.818 1.00 0.85 H new ATOM 0 HD2 ARG A 12 1.026 10.150 -6.155 1.00 1.00 H new ATOM 0 HD3 ARG A 12 0.861 11.219 -4.777 1.00 1.00 H new ATOM 0 HE ARG A 12 2.832 9.188 -4.201 1.00 1.77 H new ATOM 0 HH11 ARG A 12 2.251 12.178 -5.985 1.00 2.51 H new ATOM 0 HH12 ARG A 12 3.961 12.612 -6.078 1.00 2.51 H new ATOM 0 HH21 ARG A 12 5.053 9.802 -4.241 1.00 3.48 H new ATOM 0 HH22 ARG A 12 5.544 11.269 -5.094 1.00 3.48 H new ATOM 201 N ALA A 13 -1.604 6.369 -4.047 1.00 0.50 N ATOM 202 CA ALA A 13 -1.708 4.999 -4.548 1.00 0.59 C ATOM 203 C ALA A 13 -3.022 4.353 -4.095 1.00 0.55 C ATOM 204 O ALA A 13 -3.735 3.748 -4.897 1.00 0.65 O ATOM 205 CB ALA A 13 -0.512 4.169 -4.105 1.00 0.70 C ATOM 0 H ALA A 13 -0.888 6.500 -3.332 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.708 5.034 -5.637 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.611 3.154 -4.489 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.404 4.616 -4.492 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.471 4.142 -3.016 1.00 0.70 H new ATOM 211 N LEU A 14 -3.357 4.534 -2.818 1.00 0.47 N ATOM 212 CA LEU A 14 -4.601 3.992 -2.248 1.00 0.48 C ATOM 213 C LEU A 14 -5.807 4.631 -2.926 1.00 0.53 C ATOM 214 O LEU A 14 -6.744 3.948 -3.344 1.00 0.70 O ATOM 215 CB LEU A 14 -4.680 4.227 -0.718 1.00 0.48 C ATOM 216 CG LEU A 14 -3.930 3.249 0.228 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.486 1.852 0.145 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.453 3.225 -0.031 1.00 0.92 C ATOM 0 H LEU A 14 -2.785 5.053 -2.152 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.604 2.917 -2.425 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.306 5.231 -0.518 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.733 4.217 -0.436 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.090 3.628 1.237 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.934 1.200 0.822 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.538 1.862 0.429 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.389 1.482 -0.876 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.975 2.527 0.656 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.269 2.908 -1.058 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.041 4.223 0.120 1.00 0.92 H new ATOM 230 N VAL A 15 -5.772 5.941 -3.035 1.00 0.49 N ATOM 231 CA VAL A 15 -6.807 6.705 -3.722 1.00 0.60 C ATOM 232 C VAL A 15 -6.899 6.341 -5.235 1.00 0.66 C ATOM 233 O VAL A 15 -7.921 6.575 -5.897 1.00 0.87 O ATOM 234 CB VAL A 15 -6.640 8.245 -3.471 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.638 9.082 -4.257 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.791 8.531 -1.983 1.00 0.84 C ATOM 0 H VAL A 15 -5.023 6.516 -2.649 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.767 6.421 -3.291 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.646 8.526 -3.818 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.475 10.138 -4.044 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.503 8.902 -5.324 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.652 8.806 -3.968 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.676 9.600 -1.804 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.778 8.212 -1.650 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -6.027 7.986 -1.428 1.00 0.84 H new ATOM 246 N GLU A 16 -5.855 5.704 -5.757 1.00 0.64 N ATOM 247 CA GLU A 16 -5.850 5.302 -7.141 1.00 0.77 C ATOM 248 C GLU A 16 -6.548 3.948 -7.283 1.00 0.70 C ATOM 249 O GLU A 16 -7.523 3.835 -8.028 1.00 0.81 O ATOM 250 CB GLU A 16 -4.419 5.282 -7.725 1.00 0.95 C ATOM 251 CG GLU A 16 -4.358 5.036 -9.233 1.00 1.63 C ATOM 252 CD GLU A 16 -2.953 5.133 -9.801 1.00 1.66 C ATOM 253 OE1 GLU A 16 -2.506 6.238 -10.159 1.00 2.10 O ATOM 254 OE2 GLU A 16 -2.244 4.096 -9.883 1.00 1.92 O ATOM 0 H GLU A 16 -5.011 5.461 -5.238 1.00 0.64 H new ATOM 0 HA GLU A 16 -6.404 6.038 -7.723 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.936 6.234 -7.504 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.843 4.507 -7.219 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -4.762 4.047 -9.449 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -4.998 5.760 -9.738 1.00 1.63 H new ATOM 261 N SER A 17 -6.118 2.959 -6.505 1.00 0.58 N ATOM 262 CA SER A 17 -6.687 1.612 -6.581 1.00 0.61 C ATOM 263 C SER A 17 -8.171 1.602 -6.140 1.00 0.69 C ATOM 264 O SER A 17 -9.010 0.932 -6.757 1.00 0.82 O ATOM 265 CB SER A 17 -5.852 0.653 -5.721 1.00 0.57 C ATOM 266 OG SER A 17 -4.463 0.844 -5.987 1.00 1.00 O ATOM 0 H SER A 17 -5.376 3.063 -5.813 1.00 0.58 H new ATOM 0 HA SER A 17 -6.657 1.278 -7.618 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.056 0.827 -4.665 1.00 0.57 H new ATOM 0 HB3 SER A 17 -6.133 -0.378 -5.934 1.00 0.57 H new ATOM 0 HG SER A 17 -3.952 0.723 -5.160 1.00 1.00 H new ATOM 272 N ALA A 18 -8.494 2.397 -5.124 1.00 0.78 N ATOM 273 CA ALA A 18 -9.846 2.450 -4.573 1.00 0.97 C ATOM 274 C ALA A 18 -10.552 3.729 -4.958 1.00 1.13 C ATOM 275 O ALA A 18 -11.430 4.215 -4.247 1.00 1.49 O ATOM 276 CB ALA A 18 -9.801 2.332 -3.080 1.00 1.11 C ATOM 0 H ALA A 18 -7.831 3.019 -4.661 1.00 0.78 H new ATOM 0 HA ALA A 18 -10.405 1.612 -4.990 1.00 0.97 H new ATOM 0 HB1 ALA A 18 -10.815 2.373 -2.681 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -9.340 1.384 -2.804 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -9.215 3.154 -2.668 1.00 1.11 H new ATOM 282 N GLY A 19 -10.180 4.278 -6.068 1.00 1.13 N ATOM 283 CA GLY A 19 -10.880 5.439 -6.555 1.00 1.48 C ATOM 284 C GLY A 19 -12.007 5.028 -7.461 1.00 1.60 C ATOM 285 O GLY A 19 -12.951 5.779 -7.704 1.00 2.02 O ATOM 0 H GLY A 19 -9.409 3.954 -6.652 1.00 1.13 H new ATOM 0 HA2 GLY A 19 -11.271 6.015 -5.716 1.00 1.48 H new ATOM 0 HA3 GLY A 19 -10.190 6.089 -7.094 1.00 1.48 H new ATOM 289 N GLU A 20 -11.912 3.807 -7.942 1.00 2.22 N ATOM 290 CA GLU A 20 -12.867 3.259 -8.883 1.00 3.33 C ATOM 291 C GLU A 20 -13.933 2.407 -8.215 1.00 3.66 C ATOM 292 O GLU A 20 -14.745 1.770 -8.879 1.00 4.35 O ATOM 293 CB GLU A 20 -12.154 2.512 -10.002 1.00 4.13 C ATOM 294 CG GLU A 20 -11.672 3.402 -11.152 1.00 5.10 C ATOM 295 CD GLU A 20 -10.788 4.558 -10.732 1.00 5.65 C ATOM 296 OE1 GLU A 20 -9.602 4.338 -10.418 1.00 6.03 O ATOM 297 OE2 GLU A 20 -11.265 5.707 -10.688 1.00 5.97 O ATOM 0 H GLU A 20 -11.164 3.161 -7.689 1.00 2.22 H new ATOM 0 HA GLU A 20 -13.400 4.100 -9.326 1.00 3.33 H new ATOM 0 HB2 GLU A 20 -11.297 1.986 -9.582 1.00 4.13 H new ATOM 0 HB3 GLU A 20 -12.827 1.754 -10.403 1.00 4.13 H new ATOM 0 HG2 GLU A 20 -11.125 2.785 -11.866 1.00 5.10 H new ATOM 0 HG3 GLU A 20 -12.542 3.799 -11.675 1.00 5.10 H new ATOM 304 N THR A 21 -13.924 2.396 -6.926 1.00 3.56 N ATOM 305 CA THR A 21 -14.955 1.769 -6.154 1.00 4.12 C ATOM 306 C THR A 21 -15.960 2.841 -5.787 1.00 3.91 C ATOM 307 O THR A 21 -16.855 3.179 -6.577 1.00 4.42 O ATOM 308 CB THR A 21 -14.335 1.089 -4.919 1.00 4.95 C ATOM 309 OG1 THR A 21 -13.296 1.938 -4.415 1.00 5.36 O ATOM 310 CG2 THR A 21 -13.751 -0.269 -5.284 1.00 5.71 C ATOM 0 H THR A 21 -13.190 2.828 -6.365 1.00 3.56 H new ATOM 0 HA THR A 21 -15.465 0.986 -6.716 1.00 4.12 H new ATOM 0 HB THR A 21 -15.107 0.934 -4.165 1.00 4.95 H new ATOM 0 HG1 THR A 21 -12.889 1.523 -3.626 1.00 5.36 H new ATOM 0 HG21 THR A 21 -13.319 -0.730 -4.396 1.00 5.71 H new ATOM 0 HG22 THR A 21 -14.539 -0.910 -5.678 1.00 5.71 H new ATOM 0 HG23 THR A 21 -12.976 -0.141 -6.040 1.00 5.71 H new ATOM 318 N ASP A 22 -15.797 3.388 -4.654 1.00 3.55 N ATOM 319 CA ASP A 22 -16.549 4.559 -4.255 1.00 3.80 C ATOM 320 C ASP A 22 -15.608 5.716 -4.306 1.00 3.75 C ATOM 321 O ASP A 22 -15.829 6.679 -5.026 1.00 4.22 O ATOM 322 CB ASP A 22 -17.124 4.448 -2.846 1.00 4.39 C ATOM 323 CG ASP A 22 -17.912 5.693 -2.443 1.00 4.93 C ATOM 324 OD1 ASP A 22 -17.312 6.724 -2.070 1.00 5.23 O ATOM 325 OD2 ASP A 22 -19.151 5.652 -2.473 1.00 5.42 O ATOM 0 H ASP A 22 -15.138 3.053 -3.951 1.00 3.55 H new ATOM 0 HA ASP A 22 -17.398 4.676 -4.929 1.00 3.80 H new ATOM 0 HB2 ASP A 22 -17.774 3.575 -2.789 1.00 4.39 H new ATOM 0 HB3 ASP A 22 -16.312 4.288 -2.136 1.00 4.39 H new ATOM 330 N GLY A 23 -14.530 5.587 -3.560 1.00 3.52 N ATOM 331 CA GLY A 23 -13.534 6.606 -3.521 1.00 3.84 C ATOM 332 C GLY A 23 -13.485 7.299 -2.183 1.00 3.68 C ATOM 333 O GLY A 23 -12.453 7.275 -1.493 1.00 3.96 O ATOM 0 H GLY A 23 -14.332 4.776 -2.973 1.00 3.52 H new ATOM 0 HA2 GLY A 23 -12.560 6.169 -3.738 1.00 3.84 H new ATOM 0 HA3 GLY A 23 -13.735 7.339 -4.302 1.00 3.84 H new ATOM 337 N THR A 24 -14.595 7.845 -1.769 1.00 3.64 N ATOM 338 CA THR A 24 -14.642 8.623 -0.563 1.00 3.82 C ATOM 339 C THR A 24 -14.941 7.728 0.647 1.00 3.09 C ATOM 340 O THR A 24 -16.089 7.594 1.095 1.00 3.70 O ATOM 341 CB THR A 24 -15.681 9.755 -0.692 1.00 5.01 C ATOM 342 OG1 THR A 24 -15.443 10.457 -1.933 1.00 5.50 O ATOM 343 CG2 THR A 24 -15.561 10.742 0.461 1.00 5.84 C ATOM 0 H THR A 24 -15.488 7.764 -2.255 1.00 3.64 H new ATOM 0 HA THR A 24 -13.665 9.080 -0.405 1.00 3.82 H new ATOM 0 HB THR A 24 -16.680 9.320 -0.673 1.00 5.01 H new ATOM 0 HG1 THR A 24 -16.098 11.180 -2.031 1.00 5.50 H new ATOM 0 HG21 THR A 24 -16.305 11.530 0.345 1.00 5.84 H new ATOM 0 HG22 THR A 24 -15.728 10.222 1.404 1.00 5.84 H new ATOM 0 HG23 THR A 24 -14.564 11.182 0.461 1.00 5.84 H new ATOM 351 N ASP A 25 -13.925 7.021 1.072 1.00 2.19 N ATOM 352 CA ASP A 25 -13.993 6.164 2.253 1.00 1.95 C ATOM 353 C ASP A 25 -12.645 6.217 2.931 1.00 1.67 C ATOM 354 O ASP A 25 -12.518 6.639 4.071 1.00 2.10 O ATOM 355 CB ASP A 25 -14.327 4.703 1.870 1.00 2.07 C ATOM 356 CG ASP A 25 -14.604 3.789 3.075 1.00 2.73 C ATOM 357 OD1 ASP A 25 -14.403 4.200 4.233 1.00 3.29 O ATOM 358 OD2 ASP A 25 -15.077 2.651 2.866 1.00 3.15 O ATOM 0 H ASP A 25 -13.015 7.016 0.612 1.00 2.19 H new ATOM 0 HA ASP A 25 -14.783 6.516 2.916 1.00 1.95 H new ATOM 0 HB2 ASP A 25 -15.199 4.700 1.216 1.00 2.07 H new ATOM 0 HB3 ASP A 25 -13.497 4.290 1.296 1.00 2.07 H new ATOM 363 N LEU A 26 -11.627 5.843 2.184 1.00 1.31 N ATOM 364 CA LEU A 26 -10.246 5.864 2.676 1.00 1.13 C ATOM 365 C LEU A 26 -9.585 7.191 2.295 1.00 1.22 C ATOM 366 O LEU A 26 -8.367 7.346 2.336 1.00 1.82 O ATOM 367 CB LEU A 26 -9.434 4.683 2.099 1.00 1.09 C ATOM 368 CG LEU A 26 -8.884 4.782 0.654 1.00 0.75 C ATOM 369 CD1 LEU A 26 -7.989 3.611 0.375 1.00 1.61 C ATOM 370 CD2 LEU A 26 -9.980 4.851 -0.400 1.00 1.49 C ATOM 0 H LEU A 26 -11.722 5.516 1.223 1.00 1.31 H new ATOM 0 HA LEU A 26 -10.264 5.764 3.761 1.00 1.13 H new ATOM 0 HB2 LEU A 26 -8.586 4.512 2.762 1.00 1.09 H new ATOM 0 HB3 LEU A 26 -10.064 3.795 2.151 1.00 1.09 H new ATOM 0 HG LEU A 26 -8.325 5.716 0.591 1.00 0.75 H new ATOM 0 HD11 LEU A 26 -7.603 3.682 -0.642 1.00 1.61 H new ATOM 0 HD12 LEU A 26 -7.157 3.613 1.080 1.00 1.61 H new ATOM 0 HD13 LEU A 26 -8.555 2.686 0.484 1.00 1.61 H new ATOM 0 HD21 LEU A 26 -9.529 4.919 -1.390 1.00 1.49 H new ATOM 0 HD22 LEU A 26 -10.597 3.954 -0.343 1.00 1.49 H new ATOM 0 HD23 LEU A 26 -10.600 5.730 -0.223 1.00 1.49 H new ATOM 382 N SER A 27 -10.411 8.123 1.953 1.00 1.09 N ATOM 383 CA SER A 27 -10.014 9.421 1.510 1.00 1.16 C ATOM 384 C SER A 27 -9.400 10.222 2.650 1.00 1.19 C ATOM 385 O SER A 27 -10.019 10.408 3.715 1.00 1.88 O ATOM 386 CB SER A 27 -11.234 10.107 0.904 1.00 1.49 C ATOM 387 OG SER A 27 -12.406 9.809 1.667 1.00 1.72 O ATOM 0 H SER A 27 -11.423 7.997 1.975 1.00 1.09 H new ATOM 0 HA SER A 27 -9.238 9.344 0.749 1.00 1.16 H new ATOM 0 HB2 SER A 27 -11.076 11.185 0.875 1.00 1.49 H new ATOM 0 HB3 SER A 27 -11.370 9.777 -0.126 1.00 1.49 H new ATOM 0 HG SER A 27 -12.880 10.641 1.877 1.00 1.72 H new ATOM 393 N GLY A 28 -8.171 10.643 2.456 1.00 0.90 N ATOM 394 CA GLY A 28 -7.475 11.396 3.471 1.00 1.11 C ATOM 395 C GLY A 28 -6.888 10.495 4.542 1.00 0.86 C ATOM 396 O GLY A 28 -5.666 10.376 4.667 1.00 1.32 O ATOM 0 H GLY A 28 -7.634 10.476 1.605 1.00 0.90 H new ATOM 0 HA2 GLY A 28 -6.677 11.977 3.009 1.00 1.11 H new ATOM 0 HA3 GLY A 28 -8.162 12.107 3.931 1.00 1.11 H new ATOM 400 N ASP A 29 -7.746 9.842 5.290 1.00 0.68 N ATOM 401 CA ASP A 29 -7.315 8.960 6.347 1.00 0.75 C ATOM 402 C ASP A 29 -7.731 7.535 6.049 1.00 0.61 C ATOM 403 O ASP A 29 -8.872 7.256 5.675 1.00 0.71 O ATOM 404 CB ASP A 29 -7.772 9.407 7.750 1.00 1.18 C ATOM 405 CG ASP A 29 -9.251 9.334 7.989 1.00 1.63 C ATOM 406 OD1 ASP A 29 -9.973 10.287 7.644 1.00 2.14 O ATOM 407 OD2 ASP A 29 -9.738 8.298 8.482 1.00 2.17 O ATOM 0 H ASP A 29 -8.758 9.907 5.183 1.00 0.68 H new ATOM 0 HA ASP A 29 -6.226 9.010 6.371 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -7.268 8.789 8.493 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -7.443 10.433 7.913 1.00 1.18 H new ATOM 412 N PHE A 30 -6.777 6.668 6.181 1.00 0.48 N ATOM 413 CA PHE A 30 -6.896 5.256 5.827 1.00 0.41 C ATOM 414 C PHE A 30 -5.736 4.484 6.471 1.00 0.34 C ATOM 415 O PHE A 30 -5.864 3.339 6.853 1.00 0.34 O ATOM 416 CB PHE A 30 -6.820 5.113 4.274 1.00 0.47 C ATOM 417 CG PHE A 30 -5.499 5.610 3.689 1.00 0.39 C ATOM 418 CD1 PHE A 30 -5.303 6.954 3.415 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.484 4.717 3.363 1.00 0.44 C ATOM 420 CE1 PHE A 30 -4.129 7.391 2.836 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.319 5.152 2.776 1.00 0.52 C ATOM 422 CZ PHE A 30 -3.058 6.534 2.738 1.00 0.60 C ATOM 0 H PHE A 30 -5.858 6.914 6.548 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.846 4.857 6.184 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.958 4.066 4.005 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.642 5.669 3.823 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -6.077 7.667 3.657 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.613 3.666 3.574 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -4.052 8.401 2.462 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.619 4.447 2.353 1.00 0.52 H new ATOM 0 HZ PHE A 30 -2.050 6.909 2.635 1.00 0.60 H new ATOM 432 N LEU A 31 -4.616 5.191 6.581 1.00 0.36 N ATOM 433 CA LEU A 31 -3.312 4.714 6.982 1.00 0.36 C ATOM 434 C LEU A 31 -3.310 3.860 8.256 1.00 0.35 C ATOM 435 O LEU A 31 -2.670 2.811 8.285 1.00 0.37 O ATOM 436 CB LEU A 31 -2.381 5.938 7.077 1.00 0.44 C ATOM 437 CG LEU A 31 -0.904 5.715 7.387 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.284 4.774 6.387 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.181 7.045 7.342 1.00 0.64 C ATOM 0 H LEU A 31 -4.604 6.190 6.374 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.948 4.017 6.227 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.442 6.474 6.130 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.783 6.600 7.844 1.00 0.44 H new ATOM 0 HG LEU A 31 -0.816 5.273 8.379 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.769 4.630 6.628 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.799 3.814 6.423 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.373 5.196 5.386 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.875 6.892 7.563 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.285 7.482 6.349 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.613 7.719 8.082 1.00 0.64 H new ATOM 451 N ASP A 32 -4.026 4.274 9.279 1.00 0.38 N ATOM 452 CA ASP A 32 -4.009 3.514 10.534 1.00 0.45 C ATOM 453 C ASP A 32 -5.239 2.636 10.692 1.00 0.41 C ATOM 454 O ASP A 32 -5.423 1.975 11.728 1.00 0.47 O ATOM 455 CB ASP A 32 -3.821 4.418 11.759 1.00 0.64 C ATOM 456 CG ASP A 32 -2.490 5.137 11.765 1.00 1.55 C ATOM 457 OD1 ASP A 32 -1.444 4.496 11.971 1.00 2.06 O ATOM 458 OD2 ASP A 32 -2.467 6.373 11.597 1.00 2.29 O ATOM 0 H ASP A 32 -4.615 5.107 9.281 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.142 2.857 10.475 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -4.625 5.153 11.788 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -3.907 3.817 12.664 1.00 0.64 H new ATOM 463 N LEU A 33 -6.080 2.635 9.684 1.00 0.41 N ATOM 464 CA LEU A 33 -7.252 1.777 9.651 1.00 0.45 C ATOM 465 C LEU A 33 -6.832 0.484 9.000 1.00 0.44 C ATOM 466 O LEU A 33 -5.871 0.472 8.255 1.00 0.56 O ATOM 467 CB LEU A 33 -8.417 2.399 8.829 1.00 0.51 C ATOM 468 CG LEU A 33 -9.104 3.673 9.367 1.00 0.85 C ATOM 469 CD1 LEU A 33 -8.191 4.878 9.317 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.378 3.948 8.593 1.00 1.61 C ATOM 0 H LEU A 33 -5.975 3.228 8.861 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.617 1.633 10.668 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.036 2.624 7.833 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.184 1.634 8.711 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.348 3.493 10.414 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -8.718 5.750 9.705 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -7.305 4.689 9.924 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -7.891 5.065 8.286 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.853 4.849 8.982 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.140 4.090 7.539 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -11.059 3.104 8.701 1.00 1.61 H new ATOM 482 N ARG A 34 -7.492 -0.595 9.278 1.00 0.45 N ATOM 483 CA ARG A 34 -7.147 -1.823 8.607 1.00 0.50 C ATOM 484 C ARG A 34 -7.765 -1.825 7.195 1.00 0.45 C ATOM 485 O ARG A 34 -8.754 -1.147 6.963 1.00 0.54 O ATOM 486 CB ARG A 34 -7.561 -3.059 9.436 1.00 0.71 C ATOM 487 CG ARG A 34 -7.207 -4.357 8.756 1.00 1.08 C ATOM 488 CD ARG A 34 -7.336 -5.565 9.624 1.00 1.18 C ATOM 489 NE ARG A 34 -8.700 -5.837 10.085 1.00 1.90 N ATOM 490 CZ ARG A 34 -9.122 -7.018 10.563 1.00 2.49 C ATOM 491 NH1 ARG A 34 -8.262 -8.021 10.759 1.00 2.61 N ATOM 492 NH2 ARG A 34 -10.398 -7.182 10.863 1.00 3.35 N ATOM 0 H ARG A 34 -8.258 -0.660 9.949 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.064 -1.883 8.504 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -7.074 -3.019 10.410 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.636 -3.028 9.616 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -7.848 -4.482 7.883 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -6.181 -4.294 8.392 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -6.972 -6.433 9.074 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -6.689 -5.444 10.493 1.00 1.18 H new ATOM 0 HE ARG A 34 -9.377 -5.075 10.039 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -7.273 -7.894 10.545 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -8.594 -8.914 11.123 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -11.056 -6.414 10.731 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -10.725 -8.077 11.227 1.00 3.35 H new ATOM 506 N PHE A 35 -7.145 -2.539 6.247 1.00 0.40 N ATOM 507 CA PHE A 35 -7.655 -2.641 4.855 1.00 0.40 C ATOM 508 C PHE A 35 -9.130 -3.045 4.827 1.00 0.46 C ATOM 509 O PHE A 35 -9.906 -2.552 4.015 1.00 0.49 O ATOM 510 CB PHE A 35 -6.855 -3.645 4.046 1.00 0.39 C ATOM 511 CG PHE A 35 -5.397 -3.378 4.040 1.00 0.35 C ATOM 512 CD1 PHE A 35 -4.842 -2.447 3.177 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.577 -4.060 4.901 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.485 -2.210 3.181 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.235 -3.833 4.914 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.679 -2.908 4.053 1.00 0.48 C ATOM 0 H PHE A 35 -6.284 -3.061 6.411 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.547 -1.652 4.410 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -7.031 -4.644 4.446 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.220 -3.644 3.019 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.479 -1.902 2.495 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.001 -4.787 5.578 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.057 -1.483 2.506 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.603 -4.378 5.600 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.613 -2.732 4.063 1.00 0.48 H new ATOM 526 N GLU A 36 -9.481 -3.960 5.701 1.00 0.58 N ATOM 527 CA GLU A 36 -10.857 -4.416 5.891 1.00 0.74 C ATOM 528 C GLU A 36 -11.791 -3.233 6.187 1.00 0.75 C ATOM 529 O GLU A 36 -12.921 -3.189 5.720 1.00 0.84 O ATOM 530 CB GLU A 36 -10.902 -5.415 7.044 1.00 0.92 C ATOM 531 CG GLU A 36 -9.944 -6.588 6.880 1.00 1.14 C ATOM 532 CD GLU A 36 -10.278 -7.488 5.718 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.231 -7.054 4.564 1.00 2.26 O ATOM 534 OE2 GLU A 36 -10.581 -8.672 5.946 1.00 1.93 O ATOM 0 H GLU A 36 -8.812 -4.423 6.316 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.198 -4.896 4.973 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -10.668 -4.894 7.973 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -11.918 -5.798 7.141 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -8.932 -6.203 6.751 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -9.946 -7.178 7.797 1.00 1.14 H new ATOM 541 N ASP A 37 -11.281 -2.240 6.900 1.00 0.70 N ATOM 542 CA ASP A 37 -12.077 -1.060 7.268 1.00 0.77 C ATOM 543 C ASP A 37 -12.136 -0.086 6.118 1.00 0.71 C ATOM 544 O ASP A 37 -13.083 0.693 6.001 1.00 0.80 O ATOM 545 CB ASP A 37 -11.481 -0.313 8.472 1.00 0.85 C ATOM 546 CG ASP A 37 -11.430 -1.111 9.733 1.00 1.48 C ATOM 547 OD1 ASP A 37 -12.457 -1.216 10.437 1.00 1.64 O ATOM 548 OD2 ASP A 37 -10.360 -1.665 10.044 1.00 2.27 O ATOM 0 H ASP A 37 -10.319 -2.220 7.239 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.071 -1.427 7.524 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -10.471 0.009 8.220 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -12.067 0.588 8.651 1.00 0.85 H new ATOM 553 N ILE A 38 -11.155 -0.140 5.241 1.00 0.62 N ATOM 554 CA ILE A 38 -11.113 0.783 4.118 1.00 0.65 C ATOM 555 C ILE A 38 -11.661 0.148 2.854 1.00 0.69 C ATOM 556 O ILE A 38 -11.515 0.698 1.758 1.00 0.75 O ATOM 557 CB ILE A 38 -9.692 1.384 3.850 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.655 0.284 3.510 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.235 2.203 5.053 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.270 0.806 3.162 1.00 0.56 C ATOM 0 H ILE A 38 -10.382 -0.804 5.280 1.00 0.62 H new ATOM 0 HA ILE A 38 -11.756 1.615 4.406 1.00 0.65 H new ATOM 0 HB ILE A 38 -9.764 2.038 2.981 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.571 -0.393 4.360 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.029 -0.303 2.671 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.246 2.617 4.857 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -9.940 3.016 5.229 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.192 1.563 5.934 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.611 -0.033 2.938 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.335 1.458 2.291 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -6.870 1.367 4.007 1.00 0.56 H new ATOM 572 N GLY A 39 -12.366 -0.971 3.036 1.00 0.72 N ATOM 573 CA GLY A 39 -12.974 -1.691 1.935 1.00 0.81 C ATOM 574 C GLY A 39 -11.967 -2.099 0.890 1.00 0.67 C ATOM 575 O GLY A 39 -12.120 -1.776 -0.299 1.00 0.72 O ATOM 0 H GLY A 39 -12.526 -1.395 3.950 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -13.476 -2.579 2.318 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.739 -1.066 1.474 1.00 0.81 H new ATOM 579 N TYR A 40 -10.914 -2.754 1.321 1.00 0.57 N ATOM 580 CA TYR A 40 -9.903 -3.187 0.407 1.00 0.54 C ATOM 581 C TYR A 40 -10.051 -4.609 -0.032 1.00 0.64 C ATOM 582 O TYR A 40 -9.906 -5.554 0.754 1.00 0.79 O ATOM 583 CB TYR A 40 -8.477 -2.837 0.849 1.00 0.55 C ATOM 584 CG TYR A 40 -7.951 -1.710 0.035 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.644 -0.529 -0.065 1.00 0.71 C ATOM 586 CD2 TYR A 40 -6.725 -1.804 -0.579 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.133 0.533 -0.767 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.205 -0.754 -1.261 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.054 0.326 -1.576 1.00 0.89 C ATOM 590 OH TYR A 40 -6.368 1.476 -2.023 1.00 1.12 O ATOM 0 H TYR A 40 -10.743 -2.994 2.297 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.078 -2.593 -0.490 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.472 -2.567 1.905 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -7.830 -3.708 0.740 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.606 -0.435 0.416 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.168 -2.727 -0.517 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -8.576 1.514 -0.681 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.166 -0.745 -1.556 1.00 0.82 H new ATOM 0 HH TYR A 40 -7.003 2.094 -2.441 1.00 1.12 H new ATOM 600 N ASP A 41 -10.357 -4.742 -1.297 1.00 0.68 N ATOM 601 CA ASP A 41 -10.518 -6.019 -1.959 1.00 0.90 C ATOM 602 C ASP A 41 -9.153 -6.503 -2.383 1.00 1.04 C ATOM 603 O ASP A 41 -8.188 -5.706 -2.419 1.00 1.93 O ATOM 604 CB ASP A 41 -11.410 -5.842 -3.206 1.00 1.00 C ATOM 605 CG ASP A 41 -11.617 -7.111 -4.013 1.00 1.48 C ATOM 606 OD1 ASP A 41 -12.498 -7.916 -3.649 1.00 2.00 O ATOM 607 OD2 ASP A 41 -10.913 -7.315 -5.019 1.00 2.20 O ATOM 0 H ASP A 41 -10.506 -3.945 -1.916 1.00 0.68 H new ATOM 0 HA ASP A 41 -10.984 -6.739 -1.287 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -12.382 -5.463 -2.892 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -10.966 -5.084 -3.851 1.00 1.00 H new ATOM 612 N SER A 42 -9.072 -7.768 -2.699 1.00 0.72 N ATOM 613 CA SER A 42 -7.860 -8.411 -3.097 1.00 0.68 C ATOM 614 C SER A 42 -7.170 -7.681 -4.264 1.00 0.54 C ATOM 615 O SER A 42 -5.963 -7.420 -4.210 1.00 0.51 O ATOM 616 CB SER A 42 -8.119 -9.890 -3.379 1.00 0.82 C ATOM 617 OG SER A 42 -9.183 -10.087 -4.366 1.00 0.86 O ATOM 0 H SER A 42 -9.877 -8.395 -2.684 1.00 0.72 H new ATOM 0 HA SER A 42 -7.151 -8.356 -2.271 1.00 0.68 H new ATOM 0 HB2 SER A 42 -7.201 -10.356 -3.739 1.00 0.82 H new ATOM 0 HB3 SER A 42 -8.389 -10.393 -2.451 1.00 0.82 H new ATOM 622 N LEU A 43 -7.948 -7.305 -5.281 1.00 0.52 N ATOM 623 CA LEU A 43 -7.402 -6.587 -6.432 1.00 0.48 C ATOM 624 C LEU A 43 -6.935 -5.199 -6.042 1.00 0.39 C ATOM 625 O LEU A 43 -5.863 -4.767 -6.449 1.00 0.37 O ATOM 626 CB LEU A 43 -8.413 -6.492 -7.586 1.00 0.64 C ATOM 627 CG LEU A 43 -8.033 -5.537 -8.747 1.00 0.83 C ATOM 628 CD1 LEU A 43 -6.713 -5.931 -9.413 1.00 1.64 C ATOM 629 CD2 LEU A 43 -9.150 -5.462 -9.766 1.00 1.57 C ATOM 0 H LEU A 43 -8.951 -7.485 -5.330 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.545 -7.164 -6.780 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -8.560 -7.491 -7.997 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.371 -6.171 -7.177 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.888 -4.547 -8.315 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -6.490 -5.233 -10.220 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -5.911 -5.902 -8.676 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -6.797 -6.939 -9.819 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -8.863 -4.787 -10.572 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -9.337 -6.455 -10.174 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -10.056 -5.090 -9.287 1.00 1.57 H new ATOM 641 N ALA A 44 -7.712 -4.536 -5.219 1.00 0.41 N ATOM 642 CA ALA A 44 -7.411 -3.174 -4.838 1.00 0.39 C ATOM 643 C ALA A 44 -6.068 -3.089 -4.125 1.00 0.34 C ATOM 644 O ALA A 44 -5.197 -2.335 -4.530 1.00 0.35 O ATOM 645 CB ALA A 44 -8.527 -2.602 -3.972 1.00 0.49 C ATOM 0 H ALA A 44 -8.560 -4.917 -4.799 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.342 -2.574 -5.746 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.283 -1.576 -3.695 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.463 -2.614 -4.530 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.634 -3.206 -3.071 1.00 0.49 H new ATOM 651 N LEU A 45 -5.885 -3.927 -3.115 1.00 0.37 N ATOM 652 CA LEU A 45 -4.673 -3.899 -2.304 1.00 0.42 C ATOM 653 C LEU A 45 -3.438 -4.269 -3.136 1.00 0.39 C ATOM 654 O LEU A 45 -2.394 -3.600 -3.063 1.00 0.43 O ATOM 655 CB LEU A 45 -4.847 -4.819 -1.055 1.00 0.54 C ATOM 656 CG LEU A 45 -3.758 -4.751 0.052 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.239 -5.428 1.307 1.00 0.75 C ATOM 658 CD2 LEU A 45 -2.483 -5.432 -0.378 1.00 0.94 C ATOM 0 H LEU A 45 -6.562 -4.637 -2.836 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.508 -2.882 -1.947 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.807 -4.582 -0.596 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.906 -5.850 -1.404 1.00 0.54 H new ATOM 0 HG LEU A 45 -3.563 -3.694 0.235 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -3.464 -5.371 2.071 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.140 -4.931 1.666 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -4.462 -6.473 1.094 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -1.746 -5.363 0.422 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.686 -6.481 -0.595 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -2.094 -4.945 -1.272 1.00 0.94 H new ATOM 670 N MET A 46 -3.568 -5.305 -3.943 1.00 0.36 N ATOM 671 CA MET A 46 -2.442 -5.788 -4.732 1.00 0.41 C ATOM 672 C MET A 46 -2.025 -4.767 -5.770 1.00 0.39 C ATOM 673 O MET A 46 -0.832 -4.647 -6.080 1.00 0.49 O ATOM 674 CB MET A 46 -2.762 -7.139 -5.390 1.00 0.43 C ATOM 675 CG MET A 46 -3.793 -7.085 -6.506 1.00 0.34 C ATOM 676 SD MET A 46 -3.104 -6.675 -8.135 1.00 0.73 S ATOM 677 CE MET A 46 -1.969 -8.042 -8.382 1.00 1.38 C ATOM 0 H MET A 46 -4.434 -5.828 -4.072 1.00 0.36 H new ATOM 0 HA MET A 46 -1.603 -5.938 -4.052 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.839 -7.559 -5.789 1.00 0.43 H new ATOM 0 HB3 MET A 46 -3.117 -7.825 -4.621 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.295 -8.050 -6.569 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.552 -6.347 -6.249 1.00 0.34 H new ATOM 0 HE1 MET A 46 -2.064 -8.414 -9.402 1.00 1.38 H new ATOM 0 HE2 MET A 46 -0.947 -7.702 -8.214 1.00 1.38 H new ATOM 0 HE3 MET A 46 -2.205 -8.842 -7.680 1.00 1.38 H new ATOM 687 N GLU A 47 -2.997 -4.012 -6.281 1.00 0.31 N ATOM 688 CA GLU A 47 -2.727 -3.037 -7.295 1.00 0.37 C ATOM 689 C GLU A 47 -2.000 -1.849 -6.683 1.00 0.34 C ATOM 690 O GLU A 47 -1.080 -1.313 -7.290 1.00 0.38 O ATOM 691 CB GLU A 47 -4.009 -2.622 -8.032 1.00 0.44 C ATOM 692 CG GLU A 47 -3.747 -1.699 -9.197 1.00 0.62 C ATOM 693 CD GLU A 47 -4.979 -1.322 -9.971 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.768 -0.478 -9.481 1.00 1.76 O ATOM 695 OE2 GLU A 47 -5.209 -1.880 -11.055 1.00 1.45 O ATOM 0 H GLU A 47 -3.975 -4.070 -5.998 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.075 -3.480 -8.048 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.520 -3.515 -8.391 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.682 -2.130 -7.330 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -3.271 -0.791 -8.827 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -3.038 -2.177 -9.873 1.00 0.62 H new ATOM 702 N THR A 48 -2.379 -1.490 -5.456 1.00 0.32 N ATOM 703 CA THR A 48 -1.703 -0.439 -4.714 1.00 0.33 C ATOM 704 C THR A 48 -0.235 -0.834 -4.535 1.00 0.32 C ATOM 705 O THR A 48 0.682 -0.038 -4.807 1.00 0.35 O ATOM 706 CB THR A 48 -2.342 -0.294 -3.317 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.738 -0.064 -3.449 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.717 0.854 -2.551 1.00 0.41 C ATOM 0 H THR A 48 -3.158 -1.919 -4.956 1.00 0.32 H new ATOM 0 HA THR A 48 -1.788 0.502 -5.257 1.00 0.33 H new ATOM 0 HB THR A 48 -2.168 -1.218 -2.766 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.189 -0.907 -3.664 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.185 0.935 -1.570 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.649 0.672 -2.430 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.866 1.783 -3.102 1.00 0.41 H new ATOM 716 N ALA A 49 -0.029 -2.074 -4.088 1.00 0.32 N ATOM 717 CA ALA A 49 1.296 -2.616 -3.890 1.00 0.33 C ATOM 718 C ALA A 49 2.101 -2.560 -5.179 1.00 0.30 C ATOM 719 O ALA A 49 3.137 -1.916 -5.222 1.00 0.29 O ATOM 720 CB ALA A 49 1.220 -4.047 -3.387 1.00 0.40 C ATOM 0 H ALA A 49 -0.782 -2.722 -3.856 1.00 0.32 H new ATOM 0 HA ALA A 49 1.799 -2.007 -3.139 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.228 -4.437 -3.244 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.684 -4.071 -2.438 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.693 -4.662 -4.117 1.00 0.40 H new ATOM 726 N ALA A 50 1.565 -3.164 -6.242 1.00 0.31 N ATOM 727 CA ALA A 50 2.251 -3.272 -7.543 1.00 0.35 C ATOM 728 C ALA A 50 2.602 -1.907 -8.124 1.00 0.33 C ATOM 729 O ALA A 50 3.662 -1.732 -8.742 1.00 0.37 O ATOM 730 CB ALA A 50 1.390 -4.046 -8.523 1.00 0.44 C ATOM 0 H ALA A 50 0.641 -3.595 -6.230 1.00 0.31 H new ATOM 0 HA ALA A 50 3.186 -3.806 -7.374 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.906 -4.120 -9.481 1.00 0.44 H new ATOM 0 HB2 ALA A 50 1.204 -5.047 -8.133 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.441 -3.528 -8.661 1.00 0.44 H new ATOM 736 N ARG A 51 1.729 -0.951 -7.877 1.00 0.31 N ATOM 737 CA ARG A 51 1.861 0.419 -8.348 1.00 0.36 C ATOM 738 C ARG A 51 3.151 1.004 -7.743 1.00 0.30 C ATOM 739 O ARG A 51 3.989 1.574 -8.442 1.00 0.34 O ATOM 740 CB ARG A 51 0.615 1.172 -7.833 1.00 0.46 C ATOM 741 CG ARG A 51 0.117 2.369 -8.624 1.00 0.91 C ATOM 742 CD ARG A 51 1.002 3.586 -8.540 1.00 1.03 C ATOM 743 NE ARG A 51 0.328 4.733 -9.147 1.00 1.65 N ATOM 744 CZ ARG A 51 0.879 5.915 -9.434 1.00 2.23 C ATOM 745 NH1 ARG A 51 2.163 6.149 -9.172 1.00 2.58 N ATOM 746 NH2 ARG A 51 0.124 6.866 -9.957 1.00 3.05 N ATOM 0 H ARG A 51 0.884 -1.107 -7.328 1.00 0.31 H new ATOM 0 HA ARG A 51 1.923 0.496 -9.434 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.203 0.454 -7.766 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.827 1.509 -6.818 1.00 0.46 H new ATOM 0 HG2 ARG A 51 0.016 2.080 -9.670 1.00 0.91 H new ATOM 0 HG3 ARG A 51 -0.879 2.634 -8.269 1.00 0.91 H new ATOM 0 HD2 ARG A 51 1.240 3.802 -7.499 1.00 1.03 H new ATOM 0 HD3 ARG A 51 1.946 3.396 -9.050 1.00 1.03 H new ATOM 0 HE ARG A 51 -0.660 4.619 -9.373 1.00 1.65 H new ATOM 0 HH11 ARG A 51 2.738 5.421 -8.747 1.00 2.58 H new ATOM 0 HH12 ARG A 51 2.572 7.056 -9.396 1.00 2.58 H new ATOM 0 HH21 ARG A 51 -0.865 6.692 -10.136 1.00 3.05 H new ATOM 0 HH22 ARG A 51 0.530 7.774 -10.182 1.00 3.05 H new ATOM 760 N LEU A 52 3.291 0.842 -6.448 1.00 0.25 N ATOM 761 CA LEU A 52 4.468 1.278 -5.725 1.00 0.24 C ATOM 762 C LEU A 52 5.704 0.402 -6.019 1.00 0.22 C ATOM 763 O LEU A 52 6.799 0.928 -6.261 1.00 0.26 O ATOM 764 CB LEU A 52 4.155 1.361 -4.238 1.00 0.28 C ATOM 765 CG LEU A 52 3.033 2.352 -3.883 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.720 2.301 -2.413 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.418 3.770 -4.287 1.00 0.41 C ATOM 0 H LEU A 52 2.585 0.400 -5.859 1.00 0.25 H new ATOM 0 HA LEU A 52 4.734 2.275 -6.077 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.875 0.370 -3.881 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.060 1.648 -3.703 1.00 0.28 H new ATOM 0 HG LEU A 52 2.141 2.061 -4.438 1.00 0.35 H new ATOM 0 HD11 LEU A 52 1.924 3.010 -2.186 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.398 1.295 -2.144 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.611 2.561 -1.842 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.610 4.454 -4.027 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.326 4.064 -3.761 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.593 3.807 -5.362 1.00 0.41 H new ATOM 779 N GLU A 53 5.507 -0.926 -6.036 1.00 0.20 N ATOM 780 CA GLU A 53 6.590 -1.905 -6.258 1.00 0.25 C ATOM 781 C GLU A 53 7.343 -1.629 -7.543 1.00 0.29 C ATOM 782 O GLU A 53 8.549 -1.328 -7.526 1.00 0.32 O ATOM 783 CB GLU A 53 6.047 -3.339 -6.367 1.00 0.28 C ATOM 784 CG GLU A 53 5.434 -3.939 -5.125 1.00 0.30 C ATOM 785 CD GLU A 53 4.958 -5.351 -5.398 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.762 -6.287 -5.339 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.744 -5.550 -5.621 1.00 0.55 O ATOM 0 H GLU A 53 4.592 -1.354 -5.896 1.00 0.20 H new ATOM 0 HA GLU A 53 7.251 -1.807 -5.396 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.296 -3.357 -7.157 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.863 -3.986 -6.688 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.166 -3.945 -4.318 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.597 -3.325 -4.792 1.00 0.30 H new ATOM 794 N SER A 54 6.619 -1.691 -8.643 1.00 0.35 N ATOM 795 CA SER A 54 7.199 -1.562 -9.965 1.00 0.46 C ATOM 796 C SER A 54 7.798 -0.165 -10.185 1.00 0.42 C ATOM 797 O SER A 54 8.784 -0.007 -10.914 1.00 0.46 O ATOM 798 CB SER A 54 6.138 -1.894 -11.037 1.00 0.61 C ATOM 799 OG SER A 54 6.706 -1.990 -12.336 1.00 1.51 O ATOM 0 H SER A 54 5.609 -1.833 -8.645 1.00 0.35 H new ATOM 0 HA SER A 54 8.019 -2.275 -10.053 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.650 -2.835 -10.784 1.00 0.61 H new ATOM 0 HB3 SER A 54 5.367 -1.124 -11.035 1.00 0.61 H new ATOM 0 HG SER A 54 6.003 -2.203 -12.985 1.00 1.51 H new ATOM 805 N ARG A 55 7.236 0.830 -9.516 1.00 0.40 N ATOM 806 CA ARG A 55 7.670 2.210 -9.677 1.00 0.45 C ATOM 807 C ARG A 55 9.104 2.389 -9.153 1.00 0.43 C ATOM 808 O ARG A 55 9.911 3.089 -9.761 1.00 0.49 O ATOM 809 CB ARG A 55 6.675 3.160 -8.955 1.00 0.54 C ATOM 810 CG ARG A 55 6.744 4.659 -9.327 1.00 0.70 C ATOM 811 CD ARG A 55 8.010 5.348 -8.859 1.00 1.09 C ATOM 812 NE ARG A 55 8.067 6.757 -9.243 1.00 1.64 N ATOM 813 CZ ARG A 55 9.182 7.390 -9.630 1.00 2.34 C ATOM 814 NH1 ARG A 55 10.326 6.714 -9.745 1.00 2.65 N ATOM 815 NH2 ARG A 55 9.149 8.683 -9.925 1.00 3.15 N ATOM 0 H ARG A 55 6.472 0.706 -8.851 1.00 0.40 H new ATOM 0 HA ARG A 55 7.677 2.465 -10.737 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.663 2.807 -9.155 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.838 3.069 -7.881 1.00 0.54 H new ATOM 0 HG2 ARG A 55 6.666 4.759 -10.410 1.00 0.70 H new ATOM 0 HG3 ARG A 55 5.883 5.170 -8.897 1.00 0.70 H new ATOM 0 HD2 ARG A 55 8.080 5.269 -7.774 1.00 1.09 H new ATOM 0 HD3 ARG A 55 8.874 4.829 -9.273 1.00 1.09 H new ATOM 0 HE ARG A 55 7.200 7.294 -9.214 1.00 1.64 H new ATOM 0 HH11 ARG A 55 10.351 5.715 -9.538 1.00 2.65 H new ATOM 0 HH12 ARG A 55 11.176 7.196 -10.040 1.00 2.65 H new ATOM 0 HH21 ARG A 55 8.272 9.199 -9.857 1.00 3.15 H new ATOM 0 HH22 ARG A 55 10.001 9.161 -10.219 1.00 3.15 H new ATOM 829 N TYR A 56 9.425 1.758 -8.043 1.00 0.40 N ATOM 830 CA TYR A 56 10.748 1.950 -7.448 1.00 0.48 C ATOM 831 C TYR A 56 11.690 0.796 -7.718 1.00 0.49 C ATOM 832 O TYR A 56 12.904 0.929 -7.540 1.00 0.63 O ATOM 833 CB TYR A 56 10.647 2.220 -5.957 1.00 0.57 C ATOM 834 CG TYR A 56 9.830 3.443 -5.637 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.334 4.715 -5.862 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.557 3.323 -5.101 1.00 0.58 C ATOM 837 CE1 TYR A 56 9.597 5.832 -5.564 1.00 0.94 C ATOM 838 CE2 TYR A 56 7.809 4.434 -4.795 1.00 0.69 C ATOM 839 CZ TYR A 56 8.327 5.698 -5.071 1.00 0.87 C ATOM 840 OH TYR A 56 7.575 6.799 -4.720 1.00 1.01 O ATOM 0 H TYR A 56 8.810 1.120 -7.538 1.00 0.40 H new ATOM 0 HA TYR A 56 11.175 2.827 -7.934 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.203 1.354 -5.465 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.649 2.341 -5.546 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.324 4.828 -6.279 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.147 2.340 -4.921 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.017 6.815 -5.718 1.00 0.94 H new ATOM 0 HE2 TYR A 56 6.832 4.329 -4.346 1.00 0.69 H new ATOM 0 HH TYR A 56 6.700 6.506 -4.391 1.00 1.01 H new ATOM 850 N GLY A 57 11.141 -0.315 -8.146 1.00 0.42 N ATOM 851 CA GLY A 57 11.951 -1.469 -8.443 1.00 0.47 C ATOM 852 C GLY A 57 12.085 -2.384 -7.253 1.00 0.48 C ATOM 853 O GLY A 57 13.170 -2.878 -6.953 1.00 0.64 O ATOM 0 H GLY A 57 10.140 -0.443 -8.296 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.509 -2.018 -9.275 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.941 -1.145 -8.765 1.00 0.47 H new ATOM 857 N VAL A 58 10.987 -2.602 -6.566 1.00 0.37 N ATOM 858 CA VAL A 58 10.972 -3.486 -5.417 1.00 0.39 C ATOM 859 C VAL A 58 9.901 -4.553 -5.589 1.00 0.37 C ATOM 860 O VAL A 58 9.151 -4.535 -6.595 1.00 0.39 O ATOM 861 CB VAL A 58 10.779 -2.740 -4.056 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.939 -1.798 -3.776 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.456 -1.976 -4.027 1.00 0.50 C ATOM 0 H VAL A 58 10.085 -2.177 -6.783 1.00 0.37 H new ATOM 0 HA VAL A 58 11.957 -3.951 -5.374 1.00 0.39 H new ATOM 0 HB VAL A 58 10.755 -3.496 -3.271 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.776 -1.294 -2.823 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.867 -2.367 -3.732 1.00 0.61 H new ATOM 0 HG13 VAL A 58 12.006 -1.057 -4.572 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.350 -1.468 -3.069 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.443 -1.240 -4.831 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.630 -2.674 -4.161 1.00 0.50 H new ATOM 873 N SER A 59 9.815 -5.459 -4.636 1.00 0.42 N ATOM 874 CA SER A 59 8.829 -6.508 -4.655 1.00 0.50 C ATOM 875 C SER A 59 8.342 -6.820 -3.249 1.00 0.48 C ATOM 876 O SER A 59 9.117 -6.801 -2.285 1.00 0.61 O ATOM 877 CB SER A 59 9.392 -7.774 -5.314 1.00 0.68 C ATOM 878 OG SER A 59 9.750 -7.529 -6.673 1.00 1.55 O ATOM 0 H SER A 59 10.433 -5.484 -3.825 1.00 0.42 H new ATOM 0 HA SER A 59 7.981 -6.158 -5.244 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.266 -8.118 -4.761 1.00 0.68 H new ATOM 0 HB3 SER A 59 8.651 -8.572 -5.268 1.00 0.68 H new ATOM 0 HG SER A 59 10.108 -8.350 -7.070 1.00 1.55 H new ATOM 884 N ILE A 60 7.067 -7.028 -3.136 1.00 0.42 N ATOM 885 CA ILE A 60 6.441 -7.436 -1.903 1.00 0.43 C ATOM 886 C ILE A 60 6.039 -8.897 -2.034 1.00 0.48 C ATOM 887 O ILE A 60 5.498 -9.291 -3.078 1.00 0.51 O ATOM 888 CB ILE A 60 5.177 -6.575 -1.621 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.569 -5.106 -1.488 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.432 -7.053 -0.364 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.401 -4.177 -1.333 1.00 0.50 C ATOM 0 H ILE A 60 6.413 -6.918 -3.911 1.00 0.42 H new ATOM 0 HA ILE A 60 7.140 -7.301 -1.077 1.00 0.43 H new ATOM 0 HB ILE A 60 4.495 -6.689 -2.464 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.228 -4.992 -0.627 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.141 -4.811 -2.368 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.555 -6.427 -0.201 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.118 -8.088 -0.498 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.094 -6.984 0.499 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.761 -3.152 -1.244 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.752 -4.260 -2.205 1.00 0.50 H new ATOM 0 HD13 ILE A 60 3.841 -4.443 -0.437 1.00 0.50 H new ATOM 903 N PRO A 61 6.334 -9.734 -1.025 1.00 0.55 N ATOM 904 CA PRO A 61 5.904 -11.126 -1.019 1.00 0.61 C ATOM 905 C PRO A 61 4.387 -11.193 -1.121 1.00 0.52 C ATOM 906 O PRO A 61 3.677 -10.635 -0.280 1.00 0.43 O ATOM 907 CB PRO A 61 6.366 -11.640 0.347 1.00 0.69 C ATOM 908 CG PRO A 61 7.488 -10.741 0.719 1.00 0.75 C ATOM 909 CD PRO A 61 7.120 -9.398 0.174 1.00 0.63 C ATOM 0 HA PRO A 61 6.308 -11.707 -1.848 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.561 -11.596 1.081 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.691 -12.679 0.292 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.619 -10.703 1.800 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.429 -11.092 0.296 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.538 -8.817 0.889 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.002 -8.807 -0.073 1.00 0.63 H new ATOM 917 N ASP A 62 3.903 -11.836 -2.163 1.00 0.58 N ATOM 918 CA ASP A 62 2.461 -11.920 -2.453 1.00 0.57 C ATOM 919 C ASP A 62 1.665 -12.557 -1.323 1.00 0.48 C ATOM 920 O ASP A 62 0.500 -12.227 -1.116 1.00 0.49 O ATOM 921 CB ASP A 62 2.169 -12.631 -3.782 1.00 0.74 C ATOM 922 CG ASP A 62 2.543 -14.086 -3.797 1.00 1.16 C ATOM 923 OD1 ASP A 62 3.715 -14.411 -4.064 1.00 1.38 O ATOM 924 OD2 ASP A 62 1.671 -14.925 -3.493 1.00 1.91 O ATOM 0 H ASP A 62 4.488 -12.321 -2.843 1.00 0.58 H new ATOM 0 HA ASP A 62 2.128 -10.886 -2.545 1.00 0.57 H new ATOM 0 HB2 ASP A 62 1.106 -12.538 -4.005 1.00 0.74 H new ATOM 0 HB3 ASP A 62 2.708 -12.121 -4.580 1.00 0.74 H new ATOM 929 N ASP A 63 2.283 -13.456 -0.587 1.00 0.51 N ATOM 930 CA ASP A 63 1.611 -14.085 0.548 1.00 0.55 C ATOM 931 C ASP A 63 1.556 -13.101 1.713 1.00 0.45 C ATOM 932 O ASP A 63 0.629 -13.100 2.509 1.00 0.48 O ATOM 933 CB ASP A 63 2.322 -15.380 0.959 1.00 0.80 C ATOM 934 CG ASP A 63 1.607 -16.130 2.060 1.00 1.25 C ATOM 935 OD1 ASP A 63 0.621 -16.833 1.782 1.00 1.94 O ATOM 936 OD2 ASP A 63 2.011 -16.013 3.239 1.00 1.88 O ATOM 0 H ASP A 63 3.240 -13.771 -0.745 1.00 0.51 H new ATOM 0 HA ASP A 63 0.595 -14.349 0.256 1.00 0.55 H new ATOM 0 HB2 ASP A 63 2.414 -16.028 0.088 1.00 0.80 H new ATOM 0 HB3 ASP A 63 3.334 -15.142 1.288 1.00 0.80 H new ATOM 941 N VAL A 64 2.535 -12.209 1.753 1.00 0.43 N ATOM 942 CA VAL A 64 2.602 -11.187 2.783 1.00 0.43 C ATOM 943 C VAL A 64 1.648 -10.036 2.451 1.00 0.34 C ATOM 944 O VAL A 64 1.143 -9.375 3.339 1.00 0.37 O ATOM 945 CB VAL A 64 4.057 -10.658 3.016 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.094 -9.540 4.052 1.00 0.66 C ATOM 947 CG2 VAL A 64 4.964 -11.789 3.460 1.00 0.70 C ATOM 0 H VAL A 64 3.299 -12.174 1.078 1.00 0.43 H new ATOM 0 HA VAL A 64 2.289 -11.651 3.718 1.00 0.43 H new ATOM 0 HB VAL A 64 4.411 -10.254 2.067 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.121 -9.201 4.185 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.478 -8.708 3.711 1.00 0.66 H new ATOM 0 HG13 VAL A 64 3.709 -9.911 5.002 1.00 0.66 H new ATOM 0 HG21 VAL A 64 5.972 -11.406 3.618 1.00 0.70 H new ATOM 0 HG22 VAL A 64 4.587 -12.214 4.390 1.00 0.70 H new ATOM 0 HG23 VAL A 64 4.986 -12.561 2.691 1.00 0.70 H new ATOM 957 N ALA A 65 1.351 -9.844 1.166 1.00 0.32 N ATOM 958 CA ALA A 65 0.378 -8.822 0.749 1.00 0.34 C ATOM 959 C ALA A 65 -1.012 -9.142 1.303 1.00 0.37 C ATOM 960 O ALA A 65 -1.850 -8.270 1.447 1.00 0.46 O ATOM 961 CB ALA A 65 0.337 -8.659 -0.768 1.00 0.42 C ATOM 0 H ALA A 65 1.763 -10.375 0.399 1.00 0.32 H new ATOM 0 HA ALA A 65 0.706 -7.869 1.166 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.394 -7.895 -1.032 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.321 -8.360 -1.128 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.055 -9.606 -1.228 1.00 0.42 H new ATOM 967 N GLY A 66 -1.231 -10.405 1.625 1.00 0.39 N ATOM 968 CA GLY A 66 -2.468 -10.812 2.236 1.00 0.50 C ATOM 969 C GLY A 66 -2.291 -11.052 3.713 1.00 0.52 C ATOM 970 O GLY A 66 -3.189 -11.546 4.392 1.00 0.73 O ATOM 0 H GLY A 66 -0.564 -11.161 1.470 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -3.225 -10.044 2.077 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.831 -11.722 1.758 1.00 0.50 H new ATOM 974 N ARG A 67 -1.129 -10.697 4.211 1.00 0.42 N ATOM 975 CA ARG A 67 -0.802 -10.884 5.601 1.00 0.50 C ATOM 976 C ARG A 67 -0.523 -9.513 6.245 1.00 0.49 C ATOM 977 O ARG A 67 -0.160 -9.418 7.423 1.00 0.60 O ATOM 978 CB ARG A 67 0.431 -11.793 5.728 1.00 0.56 C ATOM 979 CG ARG A 67 0.624 -12.387 7.119 1.00 1.09 C ATOM 980 CD ARG A 67 2.001 -12.988 7.288 1.00 1.24 C ATOM 981 NE ARG A 67 2.366 -13.894 6.205 1.00 2.11 N ATOM 982 CZ ARG A 67 3.624 -14.115 5.805 1.00 2.57 C ATOM 983 NH1 ARG A 67 4.643 -13.535 6.452 1.00 2.21 N ATOM 984 NH2 ARG A 67 3.861 -14.898 4.759 1.00 3.62 N ATOM 0 H ARG A 67 -0.384 -10.270 3.660 1.00 0.42 H new ATOM 0 HA ARG A 67 -1.638 -11.358 6.115 1.00 0.50 H new ATOM 0 HB2 ARG A 67 0.347 -12.605 5.006 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.320 -11.221 5.462 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.472 -11.611 7.870 1.00 1.09 H new ATOM 0 HG3 ARG A 67 -0.131 -13.153 7.295 1.00 1.09 H new ATOM 0 HD2 ARG A 67 2.737 -12.186 7.346 1.00 1.24 H new ATOM 0 HD3 ARG A 67 2.042 -13.527 8.234 1.00 1.24 H new ATOM 0 HE ARG A 67 1.616 -14.390 5.723 1.00 2.11 H new ATOM 0 HH11 ARG A 67 4.460 -12.925 7.249 1.00 2.21 H new ATOM 0 HH12 ARG A 67 5.602 -13.703 6.148 1.00 2.21 H new ATOM 0 HH21 ARG A 67 3.084 -15.331 4.260 1.00 3.62 H new ATOM 0 HH22 ARG A 67 4.820 -15.066 4.455 1.00 3.62 H new ATOM 998 N VAL A 68 -0.672 -8.465 5.464 1.00 0.44 N ATOM 999 CA VAL A 68 -0.471 -7.115 5.956 1.00 0.44 C ATOM 1000 C VAL A 68 -1.713 -6.638 6.683 1.00 0.52 C ATOM 1001 O VAL A 68 -2.847 -6.852 6.232 1.00 0.94 O ATOM 1002 CB VAL A 68 -0.036 -6.111 4.844 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.392 -6.389 4.409 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.964 -6.177 3.644 1.00 0.57 C ATOM 0 H VAL A 68 -0.933 -8.521 4.480 1.00 0.44 H new ATOM 0 HA VAL A 68 0.362 -7.149 6.658 1.00 0.44 H new ATOM 0 HB VAL A 68 -0.094 -5.107 5.264 1.00 0.46 H new ATOM 0 HG11 VAL A 68 1.680 -5.680 3.633 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.060 -6.283 5.264 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.462 -7.404 4.018 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -0.633 -5.465 2.888 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.948 -7.184 3.226 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.979 -5.930 3.955 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.497 -6.045 7.813 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.568 -5.649 8.697 1.00 0.57 C ATOM 1016 C ASP A 69 -3.076 -4.236 8.410 1.00 0.40 C ATOM 1017 O ASP A 69 -4.274 -4.025 8.265 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.088 -5.784 10.139 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.103 -5.389 11.171 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -4.071 -6.141 11.377 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -2.999 -4.286 11.737 1.00 2.46 O ATOM 0 H ASP A 69 -0.566 -5.816 8.160 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.419 -6.309 8.526 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -1.793 -6.818 10.315 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -1.196 -5.171 10.271 1.00 0.94 H new ATOM 1026 N THR A 70 -2.191 -3.284 8.275 1.00 0.35 N ATOM 1027 CA THR A 70 -2.610 -1.903 8.048 1.00 0.30 C ATOM 1028 C THR A 70 -1.793 -1.274 6.931 1.00 0.26 C ATOM 1029 O THR A 70 -0.700 -1.761 6.628 1.00 0.26 O ATOM 1030 CB THR A 70 -2.410 -1.051 9.326 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.048 -1.188 9.790 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.377 -1.450 10.426 1.00 0.52 C ATOM 0 H THR A 70 -1.182 -3.425 8.316 1.00 0.35 H new ATOM 0 HA THR A 70 -3.665 -1.924 7.776 1.00 0.30 H new ATOM 0 HB THR A 70 -2.612 -0.010 9.073 1.00 0.44 H new ATOM 0 HG1 THR A 70 -0.996 -0.928 10.734 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.204 -0.829 11.305 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.401 -1.311 10.079 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.221 -2.497 10.685 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.316 -0.213 6.259 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.542 0.562 5.299 1.00 0.28 C ATOM 1042 C PRO A 71 -0.293 1.120 5.969 1.00 0.27 C ATOM 1043 O PRO A 71 0.721 1.266 5.340 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.486 1.693 4.889 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.837 1.139 5.129 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.703 0.262 6.335 1.00 0.33 C ATOM 0 HA PRO A 71 -1.205 -0.027 4.446 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.313 2.592 5.481 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.348 1.969 3.843 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.562 1.934 5.301 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.186 0.570 4.267 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.888 0.815 7.256 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.413 -0.565 6.311 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.413 1.437 7.264 1.00 0.29 N ATOM 1055 CA ARG A 72 0.710 1.831 8.120 1.00 0.34 C ATOM 1056 C ARG A 72 1.832 0.788 7.999 1.00 0.32 C ATOM 1057 O ARG A 72 2.968 1.106 7.650 1.00 0.35 O ATOM 1058 CB ARG A 72 0.217 1.924 9.590 1.00 0.42 C ATOM 1059 CG ARG A 72 1.289 2.235 10.638 1.00 0.72 C ATOM 1060 CD ARG A 72 1.889 3.619 10.466 1.00 0.75 C ATOM 1061 NE ARG A 72 0.920 4.704 10.695 1.00 0.84 N ATOM 1062 CZ ARG A 72 1.130 5.987 10.383 1.00 1.44 C ATOM 1063 NH1 ARG A 72 2.276 6.359 9.794 1.00 2.34 N ATOM 1064 NH2 ARG A 72 0.183 6.903 10.649 1.00 1.57 N ATOM 0 H ARG A 72 -1.308 1.426 7.753 1.00 0.29 H new ATOM 0 HA ARG A 72 1.096 2.802 7.810 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.552 2.694 9.646 1.00 0.42 H new ATOM 0 HB3 ARG A 72 -0.258 0.979 9.854 1.00 0.42 H new ATOM 0 HG2 ARG A 72 0.853 2.153 11.634 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.081 1.489 10.575 1.00 0.72 H new ATOM 0 HD2 ARG A 72 2.724 3.734 11.157 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.295 3.709 9.458 1.00 0.75 H new ATOM 0 HE ARG A 72 0.026 4.460 11.121 1.00 0.84 H new ATOM 0 HH11 ARG A 72 2.990 5.662 9.583 1.00 2.34 H new ATOM 0 HH12 ARG A 72 2.433 7.339 9.557 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -0.693 6.619 11.088 1.00 1.57 H new ATOM 0 HH22 ARG A 72 0.340 7.883 10.412 1.00 1.57 H new ATOM 1078 N GLU A 73 1.472 -0.450 8.256 1.00 0.30 N ATOM 1079 CA GLU A 73 2.378 -1.586 8.195 1.00 0.31 C ATOM 1080 C GLU A 73 2.847 -1.861 6.750 1.00 0.30 C ATOM 1081 O GLU A 73 4.004 -2.213 6.516 1.00 0.33 O ATOM 1082 CB GLU A 73 1.651 -2.793 8.756 1.00 0.36 C ATOM 1083 CG GLU A 73 2.460 -4.053 8.846 1.00 0.42 C ATOM 1084 CD GLU A 73 1.631 -5.177 9.369 1.00 1.08 C ATOM 1085 OE1 GLU A 73 1.533 -5.323 10.591 1.00 1.68 O ATOM 1086 OE2 GLU A 73 1.070 -5.944 8.559 1.00 1.74 O ATOM 0 H GLU A 73 0.520 -0.705 8.520 1.00 0.30 H new ATOM 0 HA GLU A 73 3.271 -1.370 8.781 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.287 -2.544 9.753 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.776 -2.988 8.136 1.00 0.36 H new ATOM 0 HG2 GLU A 73 2.851 -4.311 7.862 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.318 -3.894 9.499 1.00 0.42 H new ATOM 1093 N LEU A 74 1.938 -1.696 5.804 1.00 0.28 N ATOM 1094 CA LEU A 74 2.206 -1.925 4.382 1.00 0.31 C ATOM 1095 C LEU A 74 3.205 -0.868 3.866 1.00 0.31 C ATOM 1096 O LEU A 74 4.142 -1.190 3.135 1.00 0.34 O ATOM 1097 CB LEU A 74 0.836 -1.930 3.615 1.00 0.32 C ATOM 1098 CG LEU A 74 0.783 -2.330 2.112 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.282 -1.219 1.204 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.574 -3.609 1.862 1.00 0.50 C ATOM 0 H LEU A 74 0.982 -1.397 5.997 1.00 0.28 H new ATOM 0 HA LEU A 74 2.677 -2.893 4.211 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.167 -2.602 4.152 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.415 -0.928 3.698 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.265 -2.508 1.869 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.226 -1.545 0.165 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.663 -0.332 1.340 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.316 -0.981 1.454 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.522 -3.868 0.805 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.615 -3.455 2.147 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.152 -4.420 2.455 1.00 0.50 H new ATOM 1112 N LEU A 75 3.001 0.374 4.287 1.00 0.32 N ATOM 1113 CA LEU A 75 3.897 1.498 4.002 1.00 0.34 C ATOM 1114 C LEU A 75 5.284 1.154 4.505 1.00 0.33 C ATOM 1115 O LEU A 75 6.268 1.218 3.773 1.00 0.31 O ATOM 1116 CB LEU A 75 3.389 2.748 4.746 1.00 0.38 C ATOM 1117 CG LEU A 75 4.194 4.035 4.581 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.135 4.517 3.154 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.691 5.107 5.531 1.00 0.52 C ATOM 0 H LEU A 75 2.192 0.638 4.849 1.00 0.32 H new ATOM 0 HA LEU A 75 3.924 1.692 2.930 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.368 2.944 4.418 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.343 2.513 5.809 1.00 0.38 H new ATOM 0 HG LEU A 75 5.234 3.823 4.828 1.00 0.45 H new ATOM 0 HD11 LEU A 75 4.714 5.435 3.056 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.549 3.754 2.495 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.098 4.711 2.878 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.278 6.016 5.398 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.643 5.318 5.320 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.791 4.758 6.559 1.00 0.52 H new ATOM 1131 N ASP A 76 5.311 0.744 5.759 1.00 0.35 N ATOM 1132 CA ASP A 76 6.513 0.352 6.480 1.00 0.37 C ATOM 1133 C ASP A 76 7.261 -0.757 5.740 1.00 0.34 C ATOM 1134 O ASP A 76 8.481 -0.712 5.597 1.00 0.35 O ATOM 1135 CB ASP A 76 6.101 -0.117 7.880 1.00 0.45 C ATOM 1136 CG ASP A 76 7.247 -0.556 8.743 1.00 0.55 C ATOM 1137 OD1 ASP A 76 7.591 -1.753 8.729 1.00 0.59 O ATOM 1138 OD2 ASP A 76 7.799 0.280 9.486 1.00 0.69 O ATOM 0 H ASP A 76 4.467 0.671 6.327 1.00 0.35 H new ATOM 0 HA ASP A 76 7.189 1.204 6.554 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.573 0.694 8.382 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.397 -0.944 7.782 1.00 0.45 H new ATOM 1143 N LEU A 77 6.506 -1.719 5.227 1.00 0.34 N ATOM 1144 CA LEU A 77 7.058 -2.850 4.496 1.00 0.35 C ATOM 1145 C LEU A 77 7.734 -2.360 3.216 1.00 0.34 C ATOM 1146 O LEU A 77 8.870 -2.752 2.917 1.00 0.43 O ATOM 1147 CB LEU A 77 5.926 -3.891 4.198 1.00 0.38 C ATOM 1148 CG LEU A 77 6.300 -5.266 3.550 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.704 -5.150 2.084 1.00 1.15 C ATOM 1150 CD2 LEU A 77 7.391 -5.961 4.345 1.00 1.54 C ATOM 0 H LEU A 77 5.489 -1.736 5.307 1.00 0.34 H new ATOM 0 HA LEU A 77 7.816 -3.348 5.100 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.417 -4.100 5.139 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.200 -3.407 3.544 1.00 0.38 H new ATOM 0 HG LEU A 77 5.394 -5.871 3.579 1.00 0.43 H new ATOM 0 HD11 LEU A 77 6.951 -6.138 1.695 1.00 1.15 H new ATOM 0 HD12 LEU A 77 5.877 -4.731 1.511 1.00 1.15 H new ATOM 0 HD13 LEU A 77 7.573 -4.498 1.997 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.633 -6.914 3.875 1.00 1.54 H new ATOM 0 HD22 LEU A 77 8.281 -5.332 4.369 1.00 1.54 H new ATOM 0 HD23 LEU A 77 7.043 -6.137 5.363 1.00 1.54 H new ATOM 1162 N ILE A 78 7.069 -1.474 2.486 1.00 0.27 N ATOM 1163 CA ILE A 78 7.621 -0.988 1.239 1.00 0.26 C ATOM 1164 C ILE A 78 8.815 -0.114 1.523 1.00 0.28 C ATOM 1165 O ILE A 78 9.811 -0.191 0.832 1.00 0.33 O ATOM 1166 CB ILE A 78 6.590 -0.233 0.348 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.396 -1.144 0.063 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.242 0.206 -0.974 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.364 -0.562 -0.885 1.00 0.29 C ATOM 0 H ILE A 78 6.160 -1.085 2.735 1.00 0.27 H new ATOM 0 HA ILE A 78 7.922 -1.864 0.665 1.00 0.26 H new ATOM 0 HB ILE A 78 6.249 0.656 0.878 1.00 0.21 H new ATOM 0 HG12 ILE A 78 5.764 -2.082 -0.354 1.00 0.25 H new ATOM 0 HG13 ILE A 78 4.907 -1.385 1.007 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.508 0.732 -1.585 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.081 0.869 -0.763 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.600 -0.672 -1.512 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.555 -1.279 -1.027 1.00 0.29 H new ATOM 0 HD12 ILE A 78 3.962 0.360 -0.464 1.00 0.29 H new ATOM 0 HD13 ILE A 78 4.832 -0.348 -1.846 1.00 0.29 H new ATOM 1181 N ASN A 79 8.734 0.663 2.583 1.00 0.28 N ATOM 1182 CA ASN A 79 9.843 1.522 2.994 1.00 0.32 C ATOM 1183 C ASN A 79 11.065 0.706 3.372 1.00 0.34 C ATOM 1184 O ASN A 79 12.209 1.129 3.153 1.00 0.37 O ATOM 1185 CB ASN A 79 9.444 2.492 4.117 1.00 0.37 C ATOM 1186 CG ASN A 79 8.520 3.582 3.616 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.547 3.919 2.445 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.747 4.180 4.485 1.00 0.69 N ATOM 0 H ASN A 79 7.911 0.723 3.183 1.00 0.28 H new ATOM 0 HA ASN A 79 10.106 2.133 2.130 1.00 0.32 H new ATOM 0 HB2 ASN A 79 8.953 1.939 4.918 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.340 2.943 4.544 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.146 4.949 4.189 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.745 3.877 5.459 1.00 0.69 H new ATOM 1195 N GLY A 80 10.834 -0.470 3.911 1.00 0.37 N ATOM 1196 CA GLY A 80 11.922 -1.370 4.208 1.00 0.43 C ATOM 1197 C GLY A 80 12.570 -1.891 2.931 1.00 0.42 C ATOM 1198 O GLY A 80 13.795 -2.028 2.849 1.00 0.50 O ATOM 0 H GLY A 80 9.908 -0.823 4.151 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.668 -0.856 4.814 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.553 -2.208 4.800 1.00 0.43 H new ATOM 1202 N ALA A 81 11.750 -2.145 1.930 1.00 0.38 N ATOM 1203 CA ALA A 81 12.205 -2.648 0.638 1.00 0.40 C ATOM 1204 C ALA A 81 12.914 -1.543 -0.152 1.00 0.37 C ATOM 1205 O ALA A 81 13.959 -1.772 -0.778 1.00 0.44 O ATOM 1206 CB ALA A 81 11.016 -3.204 -0.153 1.00 0.42 C ATOM 0 H ALA A 81 10.741 -2.009 1.986 1.00 0.38 H new ATOM 0 HA ALA A 81 12.921 -3.453 0.806 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.363 -3.578 -1.116 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.555 -4.017 0.407 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.284 -2.413 -0.313 1.00 0.42 H new ATOM 1212 N LEU A 82 12.359 -0.337 -0.086 1.00 0.35 N ATOM 1213 CA LEU A 82 12.892 0.832 -0.788 1.00 0.39 C ATOM 1214 C LEU A 82 14.323 1.118 -0.400 1.00 0.53 C ATOM 1215 O LEU A 82 15.135 1.484 -1.235 1.00 0.67 O ATOM 1216 CB LEU A 82 12.047 2.080 -0.523 1.00 0.39 C ATOM 1217 CG LEU A 82 10.602 2.043 -0.999 1.00 0.37 C ATOM 1218 CD1 LEU A 82 9.927 3.374 -0.741 1.00 0.49 C ATOM 1219 CD2 LEU A 82 10.522 1.674 -2.463 1.00 0.49 C ATOM 0 H LEU A 82 11.520 -0.139 0.460 1.00 0.35 H new ATOM 0 HA LEU A 82 12.855 0.591 -1.850 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.046 2.268 0.551 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.539 2.930 -0.996 1.00 0.39 H new ATOM 0 HG LEU A 82 10.076 1.274 -0.433 1.00 0.37 H new ATOM 0 HD11 LEU A 82 8.894 3.331 -1.087 1.00 0.49 H new ATOM 0 HD12 LEU A 82 9.943 3.589 0.327 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.457 4.161 -1.278 1.00 0.49 H new ATOM 0 HD21 LEU A 82 9.478 1.655 -2.777 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.065 2.411 -3.054 1.00 0.49 H new ATOM 0 HD23 LEU A 82 10.965 0.690 -2.615 1.00 0.49 H new ATOM 1231 N ALA A 83 14.640 0.891 0.857 1.00 0.63 N ATOM 1232 CA ALA A 83 15.973 1.154 1.388 1.00 0.81 C ATOM 1233 C ALA A 83 17.062 0.276 0.738 1.00 0.84 C ATOM 1234 O ALA A 83 18.262 0.509 0.955 1.00 1.00 O ATOM 1235 CB ALA A 83 15.982 0.989 2.898 1.00 0.99 C ATOM 0 H ALA A 83 13.985 0.519 1.545 1.00 0.63 H new ATOM 0 HA ALA A 83 16.216 2.187 1.137 1.00 0.81 H new ATOM 0 HB1 ALA A 83 16.983 1.188 3.280 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.277 1.690 3.345 1.00 0.99 H new ATOM 0 HB3 ALA A 83 15.692 -0.030 3.154 1.00 0.99 H new ATOM 1241 N GLU A 84 16.655 -0.721 -0.041 1.00 0.79 N ATOM 1242 CA GLU A 84 17.596 -1.597 -0.706 1.00 0.94 C ATOM 1243 C GLU A 84 17.722 -1.262 -2.197 1.00 0.95 C ATOM 1244 O GLU A 84 18.830 -1.181 -2.732 1.00 1.34 O ATOM 1245 CB GLU A 84 17.161 -3.049 -0.600 1.00 1.11 C ATOM 1246 CG GLU A 84 16.883 -3.552 0.796 1.00 1.64 C ATOM 1247 CD GLU A 84 16.605 -5.027 0.783 1.00 1.84 C ATOM 1248 OE1 GLU A 84 15.518 -5.425 0.322 1.00 2.18 O ATOM 1249 OE2 GLU A 84 17.430 -5.812 1.307 1.00 2.22 O ATOM 0 H GLU A 84 15.675 -0.938 -0.224 1.00 0.79 H new ATOM 0 HA GLU A 84 18.555 -1.449 -0.209 1.00 0.94 H new ATOM 0 HB2 GLU A 84 16.261 -3.184 -1.200 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.936 -3.674 -1.043 1.00 1.11 H new ATOM 0 HG2 GLU A 84 17.737 -3.344 1.440 1.00 1.64 H new ATOM 0 HG3 GLU A 84 16.030 -3.020 1.216 1.00 1.64 H new ATOM 1256 N ALA A 85 16.593 -1.076 -2.862 1.00 0.92 N ATOM 1257 CA ALA A 85 16.594 -0.927 -4.316 1.00 1.13 C ATOM 1258 C ALA A 85 16.298 0.490 -4.806 1.00 1.45 C ATOM 1259 O ALA A 85 16.511 0.794 -5.980 1.00 2.15 O ATOM 1260 CB ALA A 85 15.627 -1.914 -4.941 1.00 1.72 C ATOM 0 H ALA A 85 15.671 -1.024 -2.428 1.00 0.92 H new ATOM 0 HA ALA A 85 17.613 -1.141 -4.637 1.00 1.13 H new ATOM 0 HB1 ALA A 85 15.635 -1.795 -6.024 1.00 1.72 H new ATOM 0 HB2 ALA A 85 15.928 -2.930 -4.685 1.00 1.72 H new ATOM 0 HB3 ALA A 85 14.622 -1.728 -4.563 1.00 1.72 H new ATOM 1266 N ALA A 86 15.812 1.345 -3.950 1.00 1.81 N ATOM 1267 CA ALA A 86 15.506 2.691 -4.358 1.00 2.61 C ATOM 1268 C ALA A 86 16.595 3.611 -3.873 1.00 2.71 C ATOM 1269 O ALA A 86 17.552 3.874 -4.640 1.00 3.04 O ATOM 1270 CB ALA A 86 14.137 3.129 -3.846 1.00 3.54 C ATOM 1271 OXT ALA A 86 16.548 4.039 -2.717 1.00 3.10 O ATOM 0 H ALA A 86 15.619 1.137 -2.970 1.00 1.81 H new ATOM 0 HA ALA A 86 15.461 2.734 -5.446 1.00 2.61 H new ATOM 0 HB1 ALA A 86 13.936 4.150 -4.171 1.00 3.54 H new ATOM 0 HB2 ALA A 86 13.370 2.464 -4.243 1.00 3.54 H new ATOM 0 HB3 ALA A 86 14.125 3.086 -2.757 1.00 3.54 H new TER 1277 ALA A 86 HETATM 1278 O23 PSR A 87 -9.692 -12.520 -3.945 1.00 1.31 O HETATM 1279 P24 PSR A 87 -9.288 -11.497 -5.025 1.00 1.02 P HETATM 1280 O26 PSR A 87 -10.206 -11.386 -6.276 1.00 1.20 O HETATM 1281 O27 PSR A 87 -7.836 -11.833 -5.500 1.00 0.86 O HETATM 1282 C28 PSR A 87 -7.227 -10.965 -6.518 1.00 0.77 C HETATM 1283 C29 PSR A 87 -5.688 -11.059 -6.529 1.00 0.82 C HETATM 1284 C30 PSR A 87 -5.221 -10.137 -7.605 1.00 0.94 C HETATM 1285 C31 PSR A 87 -5.131 -10.533 -5.227 1.00 0.94 C HETATM 1286 C32 PSR A 87 -5.132 -12.534 -6.837 1.00 0.97 C HETATM 1287 O33 PSR A 87 -5.600 -12.987 -8.094 1.00 1.07 O HETATM 1288 C34 PSR A 87 -5.520 -13.614 -5.819 1.00 1.04 C HETATM 1289 O35 PSR A 87 -6.128 -14.613 -6.222 1.00 1.12 O HETATM 1290 N36 PSR A 87 -5.174 -13.451 -4.561 1.00 1.17 N HETATM 1291 C37 PSR A 87 -5.457 -14.417 -3.499 1.00 1.38 C HETATM 1292 C38 PSR A 87 -6.837 -14.236 -2.869 1.00 1.65 C HETATM 1293 C39 PSR A 87 -7.033 -13.023 -1.968 1.00 1.64 C HETATM 1294 O40 PSR A 87 -8.118 -12.806 -1.415 1.00 2.45 O HETATM 1295 N41 PSR A 87 -5.993 -12.262 -1.798 1.00 1.40 N HETATM 1296 C42 PSR A 87 -5.984 -11.102 -0.966 1.00 1.54 C HETATM 1297 C43 PSR A 87 -4.671 -10.930 -0.264 1.00 1.34 C HETATM 1298 S1 PSR A 87 -3.612 -9.795 -1.048 1.00 1.78 S HETATM 1299 C1 PSR A 87 -3.116 -10.672 -2.467 1.00 1.60 C HETATM 1300 O1 PSR A 87 -3.518 -11.804 -2.797 1.00 2.22 O HETATM 1301 C2 PSR A 87 -2.137 -9.910 -3.328 1.00 1.64 C HETATM 1302 C3 PSR A 87 -0.965 -10.741 -3.787 1.00 1.78 C HETATM 1303 C4 PSR A 87 -0.060 -9.893 -4.641 1.00 1.76 C HETATM 0 HC43 PSR A 87 -0.612 -9.530 -5.508 1.00 1.76 H new HETATM 0 HC42 PSR A 87 0.300 -9.044 -4.059 1.00 1.76 H new HETATM 0 HC41 PSR A 87 0.789 -10.489 -4.975 1.00 1.76 H new HETATM 0 HC32 PSR A 87 -0.417 -11.125 -2.926 1.00 1.78 H new HETATM 0 HC31 PSR A 87 -1.315 -11.604 -4.353 1.00 1.78 H new HETATM 0 HC22 PSR A 87 -2.660 -9.521 -4.201 1.00 1.64 H new HETATM 0 HC21 PSR A 87 -1.766 -9.051 -2.769 1.00 1.64 H new HETATM 0 H432 PSR A 87 -4.855 -10.598 0.758 1.00 1.34 H new HETATM 0 H431 PSR A 87 -4.172 -11.897 -0.200 1.00 1.34 H new HETATM 0 H422 PSR A 87 -6.191 -10.219 -1.571 1.00 1.54 H new HETATM 0 H421 PSR A 87 -6.783 -11.178 -0.229 1.00 1.54 H new HETATM 0 H411 PSR A 87 -5.133 -12.508 -2.288 1.00 1.40 H new HETATM 0 H382 PSR A 87 -7.572 -14.183 -3.672 1.00 1.65 H new HETATM 0 H381 PSR A 87 -7.064 -15.130 -2.288 1.00 1.65 H new HETATM 0 H372 PSR A 87 -5.380 -15.426 -3.905 1.00 1.38 H new HETATM 0 H371 PSR A 87 -4.697 -14.327 -2.723 1.00 1.38 H new HETATM 0 H361 PSR A 87 -4.677 -12.597 -4.309 1.00 1.17 H new HETATM 0 H331 PSR A 87 -6.176 -13.769 -7.966 1.00 1.07 H new HETATM 0 H321 PSR A 87 -4.050 -12.411 -6.799 1.00 0.97 H new HETATM 0 H313 PSR A 87 -5.426 -9.492 -5.099 1.00 0.94 H new HETATM 0 H312 PSR A 87 -5.521 -11.125 -4.399 1.00 0.94 H new HETATM 0 H311 PSR A 87 -4.043 -10.603 -5.242 1.00 0.94 H new HETATM 0 H303 PSR A 87 -5.639 -10.452 -8.561 1.00 0.94 H new HETATM 0 H302 PSR A 87 -5.550 -9.122 -7.382 1.00 0.94 H new HETATM 0 H301 PSR A 87 -4.133 -10.162 -7.659 1.00 0.94 H new HETATM 0 H282 PSR A 87 -7.612 -11.238 -7.501 1.00 0.77 H new HETATM 0 H281 PSR A 87 -7.524 -9.932 -6.335 1.00 0.77 H new