USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 147:sc= 1.14 USER MOD Set 1.2: A 48 THR OG1 : rot 81:sc= 1.53 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.14 (180deg=-0.653) 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 -77:sc= 1.25 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 24 THR OG1 : rot 140:sc= 0.116 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -179:sc= 0.379 USER MOD Single : A 46 MET CE :methyl 159:sc= -0.168 (180deg=-0.751) USER MOD Single : A 54 SER OG : rot -91:sc= 1.26 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0353 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -63:sc= 0.425 USER MOD Single : A 79 ASN : amide:sc= -2.17 K(o=-2.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.281 -12.922 -2.703 1.00 3.07 N ATOM 2 CA MET A 1 -17.053 -11.729 -3.068 1.00 2.76 C ATOM 3 C MET A 1 -16.301 -10.466 -2.659 1.00 2.34 C ATOM 4 O MET A 1 -16.056 -9.583 -3.474 1.00 2.38 O ATOM 5 CB MET A 1 -18.434 -11.744 -2.401 1.00 2.93 C ATOM 6 CG MET A 1 -19.308 -10.561 -2.788 1.00 3.33 C ATOM 7 SD MET A 1 -20.900 -10.545 -1.934 1.00 4.18 S ATOM 8 CE MET A 1 -21.566 -12.142 -2.415 1.00 4.50 C ATOM 0 H1 MET A 1 -16.804 -13.775 -2.987 1.00 3.07 H new ATOM 0 H2 MET A 1 -15.361 -12.902 -3.188 1.00 3.07 H new ATOM 0 H3 MET A 1 -16.129 -12.936 -1.674 1.00 3.07 H new ATOM 0 HA MET A 1 -17.188 -11.735 -4.150 1.00 2.76 H new ATOM 0 HB2 MET A 1 -18.948 -12.668 -2.668 1.00 2.93 H new ATOM 0 HB3 MET A 1 -18.306 -11.752 -1.319 1.00 2.93 H new ATOM 0 HG2 MET A 1 -18.775 -9.636 -2.568 1.00 3.33 H new ATOM 0 HG3 MET A 1 -19.480 -10.581 -3.864 1.00 3.33 H new ATOM 0 HE1 MET A 1 -22.643 -12.153 -2.245 1.00 4.50 H new ATOM 0 HE2 MET A 1 -21.363 -12.317 -3.472 1.00 4.50 H new ATOM 0 HE3 MET A 1 -21.097 -12.926 -1.821 1.00 4.50 H new ATOM 20 N ALA A 2 -15.956 -10.375 -1.395 1.00 2.23 N ATOM 21 CA ALA A 2 -15.220 -9.256 -0.880 1.00 1.97 C ATOM 22 C ALA A 2 -13.851 -9.735 -0.465 1.00 1.62 C ATOM 23 O ALA A 2 -13.699 -10.401 0.555 1.00 1.83 O ATOM 24 CB ALA A 2 -15.952 -8.612 0.294 1.00 2.32 C ATOM 0 H ALA A 2 -16.182 -11.082 -0.696 1.00 2.23 H new ATOM 0 HA ALA A 2 -15.124 -8.494 -1.653 1.00 1.97 H new ATOM 0 HB1 ALA A 2 -15.372 -7.767 0.665 1.00 2.32 H new ATOM 0 HB2 ALA A 2 -16.931 -8.264 -0.035 1.00 2.32 H new ATOM 0 HB3 ALA A 2 -16.076 -9.345 1.091 1.00 2.32 H new ATOM 30 N THR A 3 -12.888 -9.461 -1.285 1.00 1.33 N ATOM 31 CA THR A 3 -11.539 -9.881 -1.056 1.00 1.10 C ATOM 32 C THR A 3 -10.732 -8.744 -0.418 1.00 0.90 C ATOM 33 O THR A 3 -10.309 -7.799 -1.100 1.00 0.87 O ATOM 34 CB THR A 3 -10.918 -10.284 -2.407 1.00 1.27 C ATOM 35 OG1 THR A 3 -11.835 -11.170 -3.073 1.00 1.70 O ATOM 36 CG2 THR A 3 -9.599 -11.011 -2.197 1.00 1.78 C ATOM 0 H THR A 3 -13.016 -8.931 -2.147 1.00 1.33 H new ATOM 0 HA THR A 3 -11.525 -10.731 -0.374 1.00 1.10 H new ATOM 0 HB THR A 3 -10.732 -9.389 -3.001 1.00 1.27 H new ATOM 0 HG1 THR A 3 -11.460 -11.439 -3.938 1.00 1.70 H new ATOM 0 HG21 THR A 3 -9.178 -11.287 -3.164 1.00 1.78 H new ATOM 0 HG22 THR A 3 -8.903 -10.358 -1.671 1.00 1.78 H new ATOM 0 HG23 THR A 3 -9.770 -11.911 -1.606 1.00 1.78 H new ATOM 44 N LEU A 4 -10.619 -8.778 0.887 1.00 0.86 N ATOM 45 CA LEU A 4 -9.812 -7.834 1.595 1.00 0.72 C ATOM 46 C LEU A 4 -8.381 -8.277 1.412 1.00 0.67 C ATOM 47 O LEU A 4 -8.061 -9.430 1.719 1.00 0.83 O ATOM 48 CB LEU A 4 -10.157 -7.800 3.106 1.00 0.71 C ATOM 49 CG LEU A 4 -11.569 -7.330 3.539 1.00 0.87 C ATOM 50 CD1 LEU A 4 -11.903 -5.961 2.976 1.00 0.80 C ATOM 51 CD2 LEU A 4 -12.661 -8.345 3.214 1.00 1.75 C ATOM 0 H LEU A 4 -11.086 -9.463 1.481 1.00 0.86 H new ATOM 0 HA LEU A 4 -9.986 -6.830 1.209 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.008 -8.805 3.501 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.429 -7.153 3.596 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.538 -7.247 4.625 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -12.901 -5.667 3.302 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -11.175 -5.233 3.334 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -11.874 -5.998 1.887 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -13.626 -7.958 3.541 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -12.686 -8.521 2.139 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -12.452 -9.282 3.730 1.00 1.75 H new ATOM 63 N LEU A 5 -7.531 -7.406 0.865 1.00 0.55 N ATOM 64 CA LEU A 5 -6.137 -7.776 0.630 1.00 0.51 C ATOM 65 C LEU A 5 -5.476 -8.165 1.930 1.00 0.46 C ATOM 66 O LEU A 5 -5.765 -7.576 2.989 1.00 0.50 O ATOM 67 CB LEU A 5 -5.304 -6.665 -0.068 1.00 0.53 C ATOM 68 CG LEU A 5 -4.843 -5.461 0.774 1.00 0.62 C ATOM 69 CD1 LEU A 5 -3.878 -4.606 -0.013 1.00 0.66 C ATOM 70 CD2 LEU A 5 -6.006 -4.621 1.218 1.00 0.95 C ATOM 0 H LEU A 5 -7.778 -6.458 0.582 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.161 -8.624 -0.054 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -4.416 -7.133 -0.493 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -5.893 -6.282 -0.901 1.00 0.53 H new ATOM 0 HG LEU A 5 -4.344 -5.855 1.660 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -3.562 -3.759 0.596 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.007 -5.200 -0.289 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.368 -4.241 -0.915 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -5.643 -3.781 1.810 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -6.539 -4.246 0.344 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -6.682 -5.226 1.823 1.00 0.95 H new ATOM 82 N THR A 6 -4.648 -9.145 1.868 1.00 0.47 N ATOM 83 CA THR A 6 -3.962 -9.601 3.021 1.00 0.49 C ATOM 84 C THR A 6 -2.675 -8.813 3.191 1.00 0.40 C ATOM 85 O THR A 6 -2.392 -7.868 2.421 1.00 0.38 O ATOM 86 CB THR A 6 -3.641 -11.104 2.911 1.00 0.70 C ATOM 87 OG1 THR A 6 -2.844 -11.334 1.732 1.00 0.82 O ATOM 88 CG2 THR A 6 -4.919 -11.921 2.820 1.00 0.93 C ATOM 0 H THR A 6 -4.427 -9.655 1.013 1.00 0.47 H new ATOM 0 HA THR A 6 -4.604 -9.450 3.889 1.00 0.49 H new ATOM 0 HB THR A 6 -3.093 -11.411 3.802 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.420 -11.315 0.939 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.670 -12.979 2.743 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.522 -11.754 3.713 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.484 -11.616 1.939 1.00 0.93 H new ATOM 96 N THR A 7 -1.869 -9.221 4.126 1.00 0.44 N ATOM 97 CA THR A 7 -0.607 -8.603 4.339 1.00 0.42 C ATOM 98 C THR A 7 0.373 -9.115 3.265 1.00 0.37 C ATOM 99 O THR A 7 1.371 -8.469 2.944 1.00 0.39 O ATOM 100 CB THR A 7 -0.094 -8.927 5.752 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.190 -8.803 6.680 1.00 0.58 O ATOM 102 CG2 THR A 7 0.979 -7.953 6.163 1.00 0.54 C ATOM 0 H THR A 7 -2.074 -9.993 4.760 1.00 0.44 H new ATOM 0 HA THR A 7 -0.697 -7.520 4.259 1.00 0.42 H new ATOM 0 HB THR A 7 0.315 -9.937 5.754 1.00 0.50 H new ATOM 0 HG1 THR A 7 -0.877 -9.009 7.586 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.329 -8.199 7.166 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.812 -8.013 5.463 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.573 -6.941 6.158 1.00 0.54 H new ATOM 110 N ASP A 8 0.010 -10.250 2.663 1.00 0.41 N ATOM 111 CA ASP A 8 0.777 -10.868 1.591 1.00 0.46 C ATOM 112 C ASP A 8 0.586 -10.034 0.341 1.00 0.42 C ATOM 113 O ASP A 8 1.550 -9.611 -0.290 1.00 0.47 O ATOM 114 CB ASP A 8 0.276 -12.294 1.340 1.00 0.62 C ATOM 115 CG ASP A 8 1.163 -13.110 0.418 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.108 -12.946 -0.806 1.00 1.98 O ATOM 117 OD2 ASP A 8 1.907 -13.979 0.927 1.00 2.01 O ATOM 0 H ASP A 8 -0.833 -10.767 2.912 1.00 0.41 H new ATOM 0 HA ASP A 8 1.831 -10.916 1.863 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.191 -12.811 2.296 1.00 0.62 H new ATOM 0 HB3 ASP A 8 -0.726 -12.246 0.913 1.00 0.62 H new ATOM 122 N ASP A 9 -0.679 -9.746 0.037 1.00 0.41 N ATOM 123 CA ASP A 9 -1.048 -8.908 -1.120 1.00 0.46 C ATOM 124 C ASP A 9 -0.381 -7.559 -1.015 1.00 0.40 C ATOM 125 O ASP A 9 0.227 -7.080 -1.973 1.00 0.46 O ATOM 126 CB ASP A 9 -2.567 -8.667 -1.207 1.00 0.54 C ATOM 127 CG ASP A 9 -3.394 -9.896 -1.444 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.581 -10.301 -2.620 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.927 -10.452 -0.466 1.00 1.83 O ATOM 0 H ASP A 9 -1.477 -10.081 0.577 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.720 -9.446 -2.009 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.898 -8.198 -0.280 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.761 -7.957 -2.011 1.00 0.54 H new ATOM 134 N LEU A 10 -0.489 -6.957 0.169 1.00 0.36 N ATOM 135 CA LEU A 10 0.068 -5.639 0.426 1.00 0.35 C ATOM 136 C LEU A 10 1.580 -5.622 0.210 1.00 0.33 C ATOM 137 O LEU A 10 2.091 -4.781 -0.530 1.00 0.36 O ATOM 138 CB LEU A 10 -0.256 -5.179 1.855 1.00 0.37 C ATOM 139 CG LEU A 10 0.199 -3.758 2.218 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.545 -2.719 1.389 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.014 -3.498 3.699 1.00 0.48 C ATOM 0 H LEU A 10 -0.964 -7.371 0.971 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.390 -4.949 -0.283 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.334 -5.244 2.002 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.204 -5.877 2.554 1.00 0.37 H new ATOM 0 HG LEU A 10 1.261 -3.674 1.987 1.00 0.41 H new ATOM 0 HD11 LEU A 10 -0.204 -1.721 1.665 1.00 0.51 H new ATOM 0 HD12 LEU A 10 -0.348 -2.889 0.331 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.615 -2.802 1.577 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.343 -2.486 3.935 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.039 -3.608 3.959 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.605 -4.213 4.271 1.00 0.48 H new ATOM 153 N ARG A 11 2.285 -6.575 0.826 1.00 0.33 N ATOM 154 CA ARG A 11 3.737 -6.617 0.726 1.00 0.37 C ATOM 155 C ARG A 11 4.175 -6.862 -0.713 1.00 0.39 C ATOM 156 O ARG A 11 5.098 -6.239 -1.193 1.00 0.45 O ATOM 157 CB ARG A 11 4.359 -7.662 1.689 1.00 0.45 C ATOM 158 CG ARG A 11 4.117 -9.113 1.327 1.00 0.72 C ATOM 159 CD ARG A 11 4.599 -10.051 2.408 1.00 0.63 C ATOM 160 NE ARG A 11 4.581 -11.443 1.958 1.00 1.12 N ATOM 161 CZ ARG A 11 4.577 -12.528 2.734 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.529 -12.422 4.053 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.630 -13.711 2.171 1.00 2.27 N ATOM 0 H ARG A 11 1.875 -7.318 1.392 1.00 0.33 H new ATOM 0 HA ARG A 11 4.111 -5.641 1.035 1.00 0.37 H new ATOM 0 HB2 ARG A 11 5.435 -7.492 1.734 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.966 -7.486 2.690 1.00 0.45 H new ATOM 0 HG2 ARG A 11 3.052 -9.272 1.157 1.00 0.72 H new ATOM 0 HG3 ARG A 11 4.627 -9.344 0.392 1.00 0.72 H new ATOM 0 HD2 ARG A 11 5.611 -9.777 2.704 1.00 0.63 H new ATOM 0 HD3 ARG A 11 3.969 -9.945 3.291 1.00 0.63 H new ATOM 0 HE ARG A 11 4.570 -11.599 0.950 1.00 1.12 H new ATOM 0 HH11 ARG A 11 4.494 -11.501 4.490 1.00 1.47 H new ATOM 0 HH12 ARG A 11 4.527 -13.261 4.632 1.00 1.47 H new ATOM 0 HH21 ARG A 11 4.673 -13.791 1.155 1.00 2.27 H new ATOM 0 HH22 ARG A 11 4.628 -14.551 2.749 1.00 2.27 H new ATOM 177 N ARG A 12 3.466 -7.728 -1.412 1.00 0.40 N ATOM 178 CA ARG A 12 3.811 -8.058 -2.775 1.00 0.48 C ATOM 179 C ARG A 12 3.578 -6.899 -3.713 1.00 0.47 C ATOM 180 O ARG A 12 4.430 -6.594 -4.528 1.00 0.50 O ATOM 181 CB ARG A 12 3.096 -9.307 -3.255 1.00 0.56 C ATOM 182 CG ARG A 12 3.529 -10.555 -2.508 1.00 0.94 C ATOM 183 CD ARG A 12 2.907 -11.807 -3.071 1.00 1.18 C ATOM 184 NE ARG A 12 3.388 -12.106 -4.422 1.00 1.76 N ATOM 185 CZ ARG A 12 2.999 -13.154 -5.154 1.00 2.29 C ATOM 186 NH1 ARG A 12 2.132 -14.037 -4.651 1.00 2.31 N ATOM 187 NH2 ARG A 12 3.508 -13.335 -6.376 1.00 3.30 N ATOM 0 H ARG A 12 2.645 -8.216 -1.053 1.00 0.40 H new ATOM 0 HA ARG A 12 4.880 -8.272 -2.782 1.00 0.48 H new ATOM 0 HB2 ARG A 12 2.021 -9.173 -3.137 1.00 0.56 H new ATOM 0 HB3 ARG A 12 3.285 -9.442 -4.320 1.00 0.56 H new ATOM 0 HG2 ARG A 12 4.615 -10.642 -2.550 1.00 0.94 H new ATOM 0 HG3 ARG A 12 3.257 -10.459 -1.457 1.00 0.94 H new ATOM 0 HD2 ARG A 12 3.129 -12.648 -2.414 1.00 1.18 H new ATOM 0 HD3 ARG A 12 1.823 -11.695 -3.090 1.00 1.18 H new ATOM 0 HE ARG A 12 4.069 -11.468 -4.834 1.00 1.76 H new ATOM 0 HH11 ARG A 12 1.766 -13.912 -3.707 1.00 2.31 H new ATOM 0 HH12 ARG A 12 1.836 -14.837 -5.211 1.00 2.31 H new ATOM 0 HH21 ARG A 12 4.191 -12.674 -6.747 1.00 3.30 H new ATOM 0 HH22 ARG A 12 3.214 -14.134 -6.938 1.00 3.30 H new ATOM 201 N ALA A 13 2.446 -6.233 -3.566 1.00 0.47 N ATOM 202 CA ALA A 13 2.123 -5.078 -4.399 1.00 0.53 C ATOM 203 C ALA A 13 3.119 -3.936 -4.171 1.00 0.46 C ATOM 204 O ALA A 13 3.440 -3.175 -5.089 1.00 0.48 O ATOM 205 CB ALA A 13 0.699 -4.603 -4.140 1.00 0.63 C ATOM 0 H ALA A 13 1.731 -6.469 -2.878 1.00 0.47 H new ATOM 0 HA ALA A 13 2.198 -5.390 -5.441 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.482 -3.742 -4.772 1.00 0.63 H new ATOM 0 HB2 ALA A 13 -0.000 -5.407 -4.370 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.595 -4.320 -3.093 1.00 0.63 H new ATOM 211 N LEU A 14 3.613 -3.841 -2.950 1.00 0.42 N ATOM 212 CA LEU A 14 4.589 -2.834 -2.591 1.00 0.39 C ATOM 213 C LEU A 14 5.952 -3.215 -3.227 1.00 0.40 C ATOM 214 O LEU A 14 6.689 -2.356 -3.757 1.00 0.46 O ATOM 215 CB LEU A 14 4.668 -2.743 -1.051 1.00 0.45 C ATOM 216 CG LEU A 14 5.320 -1.494 -0.445 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.546 -0.239 -0.826 1.00 0.44 C ATOM 218 CD2 LEU A 14 5.384 -1.614 1.066 1.00 1.00 C ATOM 0 H LEU A 14 3.348 -4.459 -2.183 1.00 0.42 H new ATOM 0 HA LEU A 14 4.305 -1.852 -2.968 1.00 0.39 H new ATOM 0 HB2 LEU A 14 3.654 -2.817 -0.658 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.214 -3.615 -0.691 1.00 0.45 H new ATOM 0 HG LEU A 14 6.332 -1.415 -0.843 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.028 0.634 -0.385 1.00 0.44 H new ATOM 0 HD12 LEU A 14 4.532 -0.136 -1.911 1.00 0.44 H new ATOM 0 HD13 LEU A 14 3.524 -0.315 -0.456 1.00 0.44 H new ATOM 0 HD21 LEU A 14 5.849 -0.721 1.483 1.00 1.00 H new ATOM 0 HD22 LEU A 14 4.375 -1.718 1.466 1.00 1.00 H new ATOM 0 HD23 LEU A 14 5.974 -2.490 1.337 1.00 1.00 H new ATOM 230 N VAL A 15 6.248 -4.518 -3.224 1.00 0.44 N ATOM 231 CA VAL A 15 7.467 -5.056 -3.828 1.00 0.53 C ATOM 232 C VAL A 15 7.404 -5.013 -5.383 1.00 0.55 C ATOM 233 O VAL A 15 8.430 -5.051 -6.052 1.00 0.64 O ATOM 234 CB VAL A 15 7.837 -6.496 -3.285 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.052 -7.090 -3.986 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.123 -6.442 -1.798 1.00 0.64 C ATOM 0 H VAL A 15 5.649 -5.228 -2.803 1.00 0.44 H new ATOM 0 HA VAL A 15 8.282 -4.401 -3.519 1.00 0.53 H new ATOM 0 HB VAL A 15 6.975 -7.132 -3.489 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.262 -8.078 -3.576 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.850 -7.176 -5.054 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.914 -6.442 -3.831 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.376 -7.440 -1.440 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.959 -5.767 -1.612 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.240 -6.080 -1.271 1.00 0.64 H new ATOM 246 N GLU A 16 6.199 -4.917 -5.944 1.00 0.59 N ATOM 247 CA GLU A 16 6.031 -4.735 -7.403 1.00 0.69 C ATOM 248 C GLU A 16 6.753 -3.463 -7.819 1.00 0.65 C ATOM 249 O GLU A 16 7.657 -3.476 -8.657 1.00 0.77 O ATOM 250 CB GLU A 16 4.546 -4.562 -7.772 1.00 0.89 C ATOM 251 CG GLU A 16 3.659 -5.763 -7.531 1.00 1.11 C ATOM 252 CD GLU A 16 3.932 -6.900 -8.474 1.00 1.54 C ATOM 253 OE1 GLU A 16 3.375 -6.894 -9.600 1.00 1.95 O ATOM 254 OE2 GLU A 16 4.618 -7.844 -8.096 1.00 2.18 O ATOM 0 H GLU A 16 5.324 -4.961 -5.422 1.00 0.59 H new ATOM 0 HA GLU A 16 6.432 -5.615 -7.907 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.147 -3.721 -7.205 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.483 -4.294 -8.827 1.00 0.89 H new ATOM 0 HG2 GLU A 16 3.797 -6.108 -6.506 1.00 1.11 H new ATOM 0 HG3 GLU A 16 2.616 -5.461 -7.628 1.00 1.11 H new ATOM 261 N SER A 17 6.381 -2.386 -7.156 1.00 0.59 N ATOM 262 CA SER A 17 6.890 -1.061 -7.412 1.00 0.64 C ATOM 263 C SER A 17 8.414 -0.970 -7.169 1.00 0.74 C ATOM 264 O SER A 17 9.135 -0.304 -7.921 1.00 1.04 O ATOM 265 CB SER A 17 6.144 -0.102 -6.501 1.00 0.68 C ATOM 266 OG SER A 17 4.741 -0.343 -6.587 1.00 1.27 O ATOM 0 H SER A 17 5.695 -2.414 -6.402 1.00 0.59 H new ATOM 0 HA SER A 17 6.731 -0.805 -8.460 1.00 0.64 H new ATOM 0 HB2 SER A 17 6.481 -0.228 -5.472 1.00 0.68 H new ATOM 0 HB3 SER A 17 6.363 0.927 -6.785 1.00 0.68 H new ATOM 0 HG SER A 17 4.325 -0.166 -5.718 1.00 1.27 H new ATOM 272 N ALA A 18 8.898 -1.673 -6.149 1.00 0.70 N ATOM 273 CA ALA A 18 10.316 -1.620 -5.784 1.00 0.87 C ATOM 274 C ALA A 18 11.140 -2.645 -6.558 1.00 1.05 C ATOM 275 O ALA A 18 12.368 -2.571 -6.593 1.00 1.57 O ATOM 276 CB ALA A 18 10.488 -1.833 -4.293 1.00 0.95 C ATOM 0 H ALA A 18 8.333 -2.285 -5.560 1.00 0.70 H new ATOM 0 HA ALA A 18 10.683 -0.629 -6.050 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.547 -1.791 -4.039 1.00 0.95 H new ATOM 0 HB2 ALA A 18 9.953 -1.054 -3.750 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.087 -2.808 -4.016 1.00 0.95 H new ATOM 282 N GLY A 19 10.459 -3.569 -7.212 1.00 0.98 N ATOM 283 CA GLY A 19 11.122 -4.648 -7.927 1.00 1.32 C ATOM 284 C GLY A 19 11.782 -4.187 -9.193 1.00 1.47 C ATOM 285 O GLY A 19 12.601 -4.896 -9.777 1.00 1.85 O ATOM 0 H GLY A 19 9.441 -3.594 -7.263 1.00 0.98 H new ATOM 0 HA2 GLY A 19 11.870 -5.102 -7.277 1.00 1.32 H new ATOM 0 HA3 GLY A 19 10.393 -5.423 -8.164 1.00 1.32 H new ATOM 289 N GLU A 20 11.451 -2.987 -9.603 1.00 1.96 N ATOM 290 CA GLU A 20 12.014 -2.402 -10.792 1.00 2.68 C ATOM 291 C GLU A 20 13.303 -1.649 -10.443 1.00 2.91 C ATOM 292 O GLU A 20 13.871 -0.933 -11.263 1.00 3.66 O ATOM 293 CB GLU A 20 10.993 -1.470 -11.446 1.00 3.52 C ATOM 294 CG GLU A 20 9.660 -2.146 -11.768 1.00 4.20 C ATOM 295 CD GLU A 20 9.813 -3.364 -12.660 1.00 4.87 C ATOM 296 OE1 GLU A 20 9.884 -3.209 -13.894 1.00 5.31 O ATOM 297 OE2 GLU A 20 9.857 -4.507 -12.144 1.00 5.27 O ATOM 0 H GLU A 20 10.782 -2.388 -9.119 1.00 1.96 H new ATOM 0 HA GLU A 20 12.261 -3.190 -11.503 1.00 2.68 H new ATOM 0 HB2 GLU A 20 10.810 -0.624 -10.784 1.00 3.52 H new ATOM 0 HB3 GLU A 20 11.418 -1.069 -12.366 1.00 3.52 H new ATOM 0 HG2 GLU A 20 9.175 -2.442 -10.838 1.00 4.20 H new ATOM 0 HG3 GLU A 20 9.002 -1.426 -12.255 1.00 4.20 H new ATOM 304 N THR A 21 13.732 -1.790 -9.216 1.00 2.73 N ATOM 305 CA THR A 21 14.962 -1.217 -8.721 1.00 3.25 C ATOM 306 C THR A 21 15.459 -2.200 -7.633 1.00 3.14 C ATOM 307 O THR A 21 15.216 -3.411 -7.766 1.00 3.43 O ATOM 308 CB THR A 21 14.704 0.215 -8.132 1.00 3.93 C ATOM 309 OG1 THR A 21 13.703 0.865 -8.937 1.00 4.30 O ATOM 310 CG2 THR A 21 15.969 1.078 -8.213 1.00 4.40 C ATOM 0 H THR A 21 13.222 -2.322 -8.511 1.00 2.73 H new ATOM 0 HA THR A 21 15.706 -1.089 -9.508 1.00 3.25 H new ATOM 0 HB THR A 21 14.394 0.108 -7.092 1.00 3.93 H new ATOM 0 HG1 THR A 21 13.529 1.761 -8.581 1.00 4.30 H new ATOM 0 HG21 THR A 21 15.763 2.065 -7.799 1.00 4.40 H new ATOM 0 HG22 THR A 21 16.769 0.605 -7.644 1.00 4.40 H new ATOM 0 HG23 THR A 21 16.275 1.178 -9.254 1.00 4.40 H new ATOM 318 N ASP A 22 16.087 -1.735 -6.587 1.00 3.24 N ATOM 319 CA ASP A 22 16.516 -2.611 -5.511 1.00 3.46 C ATOM 320 C ASP A 22 15.933 -2.101 -4.223 1.00 3.15 C ATOM 321 O ASP A 22 16.101 -0.927 -3.882 1.00 3.71 O ATOM 322 CB ASP A 22 18.042 -2.696 -5.428 1.00 4.08 C ATOM 323 CG ASP A 22 18.503 -3.620 -4.324 1.00 4.82 C ATOM 324 OD1 ASP A 22 18.278 -4.850 -4.429 1.00 5.14 O ATOM 325 OD2 ASP A 22 19.093 -3.141 -3.328 1.00 5.44 O ATOM 0 H ASP A 22 16.317 -0.751 -6.449 1.00 3.24 H new ATOM 0 HA ASP A 22 16.158 -3.622 -5.705 1.00 3.46 H new ATOM 0 HB2 ASP A 22 18.437 -3.046 -6.382 1.00 4.08 H new ATOM 0 HB3 ASP A 22 18.451 -1.700 -5.260 1.00 4.08 H new ATOM 330 N GLY A 23 15.205 -2.942 -3.540 1.00 2.69 N ATOM 331 CA GLY A 23 14.548 -2.516 -2.339 1.00 2.70 C ATOM 332 C GLY A 23 14.876 -3.384 -1.158 1.00 2.24 C ATOM 333 O GLY A 23 15.788 -4.215 -1.214 1.00 2.70 O ATOM 0 H GLY A 23 15.054 -3.918 -3.793 1.00 2.69 H new ATOM 0 HA2 GLY A 23 14.834 -1.487 -2.119 1.00 2.70 H new ATOM 0 HA3 GLY A 23 13.470 -2.520 -2.499 1.00 2.70 H new ATOM 337 N THR A 24 14.149 -3.194 -0.104 1.00 1.89 N ATOM 338 CA THR A 24 14.323 -3.919 1.114 1.00 1.88 C ATOM 339 C THR A 24 13.412 -5.155 1.136 1.00 1.65 C ATOM 340 O THR A 24 12.554 -5.315 0.246 1.00 2.03 O ATOM 341 CB THR A 24 14.015 -2.980 2.291 1.00 2.50 C ATOM 342 OG1 THR A 24 12.892 -2.146 1.921 1.00 3.09 O ATOM 343 CG2 THR A 24 15.215 -2.100 2.612 1.00 2.87 C ATOM 0 H THR A 24 13.394 -2.509 -0.066 1.00 1.89 H new ATOM 0 HA THR A 24 15.351 -4.271 1.196 1.00 1.88 H new ATOM 0 HB THR A 24 13.783 -3.573 3.176 1.00 2.50 H new ATOM 0 HG1 THR A 24 12.295 -2.041 2.691 1.00 3.09 H new ATOM 0 HG21 THR A 24 14.972 -1.444 3.448 1.00 2.87 H new ATOM 0 HG22 THR A 24 16.066 -2.728 2.878 1.00 2.87 H new ATOM 0 HG23 THR A 24 15.468 -1.497 1.740 1.00 2.87 H new ATOM 351 N ASP A 25 13.568 -6.013 2.127 1.00 1.52 N ATOM 352 CA ASP A 25 12.727 -7.184 2.225 1.00 1.56 C ATOM 353 C ASP A 25 11.639 -6.944 3.217 1.00 1.29 C ATOM 354 O ASP A 25 11.803 -7.115 4.427 1.00 1.63 O ATOM 355 CB ASP A 25 13.502 -8.476 2.543 1.00 2.14 C ATOM 356 CG ASP A 25 12.575 -9.678 2.731 1.00 2.62 C ATOM 357 OD1 ASP A 25 11.929 -10.111 1.750 1.00 3.01 O ATOM 358 OD2 ASP A 25 12.508 -10.225 3.847 1.00 3.06 O ATOM 0 H ASP A 25 14.263 -5.920 2.867 1.00 1.52 H new ATOM 0 HA ASP A 25 12.290 -7.346 1.239 1.00 1.56 H new ATOM 0 HB2 ASP A 25 14.204 -8.684 1.735 1.00 2.14 H new ATOM 0 HB3 ASP A 25 14.092 -8.330 3.448 1.00 2.14 H new ATOM 363 N LEU A 26 10.544 -6.503 2.708 1.00 1.14 N ATOM 364 CA LEU A 26 9.415 -6.163 3.514 1.00 0.93 C ATOM 365 C LEU A 26 8.373 -7.263 3.465 1.00 0.97 C ATOM 366 O LEU A 26 7.228 -7.075 3.803 1.00 1.44 O ATOM 367 CB LEU A 26 8.889 -4.758 3.116 1.00 1.11 C ATOM 368 CG LEU A 26 8.529 -4.517 1.646 1.00 0.87 C ATOM 369 CD1 LEU A 26 7.136 -5.019 1.310 1.00 1.38 C ATOM 370 CD2 LEU A 26 8.686 -3.054 1.293 1.00 1.53 C ATOM 0 H LEU A 26 10.400 -6.365 1.708 1.00 1.14 H new ATOM 0 HA LEU A 26 9.705 -6.091 4.562 1.00 0.93 H new ATOM 0 HB2 LEU A 26 8.003 -4.551 3.716 1.00 1.11 H new ATOM 0 HB3 LEU A 26 9.645 -4.025 3.400 1.00 1.11 H new ATOM 0 HG LEU A 26 9.226 -5.094 1.038 1.00 0.87 H new ATOM 0 HD11 LEU A 26 6.924 -4.827 0.258 1.00 1.38 H new ATOM 0 HD12 LEU A 26 7.079 -6.090 1.502 1.00 1.38 H new ATOM 0 HD13 LEU A 26 6.403 -4.500 1.928 1.00 1.38 H new ATOM 0 HD21 LEU A 26 8.426 -2.903 0.245 1.00 1.53 H new ATOM 0 HD22 LEU A 26 8.026 -2.455 1.921 1.00 1.53 H new ATOM 0 HD23 LEU A 26 9.719 -2.749 1.458 1.00 1.53 H new ATOM 382 N SER A 27 8.802 -8.437 3.068 1.00 1.01 N ATOM 383 CA SER A 27 7.942 -9.582 3.065 1.00 1.18 C ATOM 384 C SER A 27 7.718 -10.081 4.497 1.00 1.27 C ATOM 385 O SER A 27 6.723 -10.745 4.794 1.00 1.98 O ATOM 386 CB SER A 27 8.513 -10.671 2.159 1.00 1.52 C ATOM 387 OG SER A 27 8.611 -10.195 0.815 1.00 2.26 O ATOM 0 H SER A 27 9.751 -8.619 2.741 1.00 1.01 H new ATOM 0 HA SER A 27 6.969 -9.301 2.662 1.00 1.18 H new ATOM 0 HB2 SER A 27 9.497 -10.974 2.518 1.00 1.52 H new ATOM 0 HB3 SER A 27 7.875 -11.554 2.194 1.00 1.52 H new ATOM 0 HG SER A 27 8.980 -10.901 0.244 1.00 2.26 H new ATOM 393 N GLY A 28 8.620 -9.727 5.388 1.00 1.18 N ATOM 394 CA GLY A 28 8.477 -10.105 6.758 1.00 1.46 C ATOM 395 C GLY A 28 7.723 -9.060 7.543 1.00 1.19 C ATOM 396 O GLY A 28 6.499 -8.904 7.394 1.00 1.73 O ATOM 0 H GLY A 28 9.455 -9.179 5.179 1.00 1.18 H new ATOM 0 HA2 GLY A 28 7.952 -11.058 6.821 1.00 1.46 H new ATOM 0 HA3 GLY A 28 9.462 -10.254 7.200 1.00 1.46 H new ATOM 400 N ASP A 29 8.441 -8.334 8.353 1.00 0.90 N ATOM 401 CA ASP A 29 7.863 -7.293 9.176 1.00 0.83 C ATOM 402 C ASP A 29 7.958 -5.999 8.435 1.00 0.79 C ATOM 403 O ASP A 29 9.060 -5.590 8.048 1.00 1.33 O ATOM 404 CB ASP A 29 8.614 -7.136 10.509 1.00 1.20 C ATOM 405 CG ASP A 29 8.761 -8.416 11.284 1.00 1.95 C ATOM 406 OD1 ASP A 29 7.762 -8.876 11.885 1.00 2.44 O ATOM 407 OD2 ASP A 29 9.857 -9.010 11.298 1.00 2.68 O ATOM 0 H ASP A 29 9.449 -8.443 8.466 1.00 0.90 H new ATOM 0 HA ASP A 29 6.829 -7.564 9.391 1.00 0.83 H new ATOM 0 HB2 ASP A 29 9.605 -6.728 10.310 1.00 1.20 H new ATOM 0 HB3 ASP A 29 8.088 -6.408 11.127 1.00 1.20 H new ATOM 412 N PHE A 30 6.829 -5.368 8.200 1.00 0.42 N ATOM 413 CA PHE A 30 6.821 -4.091 7.520 1.00 0.36 C ATOM 414 C PHE A 30 5.649 -3.205 7.944 1.00 0.32 C ATOM 415 O PHE A 30 5.660 -2.018 7.689 1.00 0.35 O ATOM 416 CB PHE A 30 6.825 -4.230 5.984 1.00 0.37 C ATOM 417 CG PHE A 30 5.556 -4.779 5.389 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.167 -6.079 5.662 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.769 -4.015 4.553 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.022 -6.599 5.114 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.626 -4.526 4.007 1.00 0.42 C ATOM 422 CZ PHE A 30 3.204 -5.751 4.310 1.00 0.46 C ATOM 0 H PHE A 30 5.908 -5.716 8.468 1.00 0.42 H new ATOM 0 HA PHE A 30 7.750 -3.609 7.825 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.019 -3.251 5.547 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.653 -4.878 5.695 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.772 -6.691 6.314 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.060 -3.000 4.327 1.00 0.38 H new ATOM 0 HE1 PHE A 30 3.746 -7.629 5.288 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.054 -3.924 3.316 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.248 -6.101 3.949 1.00 0.46 H new ATOM 432 N LEU A 31 4.640 -3.769 8.588 1.00 0.35 N ATOM 433 CA LEU A 31 3.452 -2.979 8.949 1.00 0.36 C ATOM 434 C LEU A 31 3.762 -1.868 9.947 1.00 0.39 C ATOM 435 O LEU A 31 3.129 -0.825 9.927 1.00 0.46 O ATOM 436 CB LEU A 31 2.328 -3.866 9.491 1.00 0.40 C ATOM 437 CG LEU A 31 1.720 -4.872 8.513 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.624 -5.661 9.197 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.169 -4.162 7.284 1.00 0.38 C ATOM 0 H LEU A 31 4.609 -4.749 8.871 1.00 0.35 H new ATOM 0 HA LEU A 31 3.117 -2.509 8.024 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.712 -4.415 10.351 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.530 -3.220 9.856 1.00 0.40 H new ATOM 0 HG LEU A 31 2.503 -5.558 8.190 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.196 -6.375 8.493 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.040 -6.197 10.050 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.154 -4.980 9.541 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.741 -4.896 6.601 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.397 -3.455 7.588 1.00 0.38 H new ATOM 0 HD23 LEU A 31 1.974 -3.626 6.782 1.00 0.38 H new ATOM 451 N ASP A 32 4.750 -2.089 10.779 1.00 0.43 N ATOM 452 CA ASP A 32 5.111 -1.148 11.838 1.00 0.52 C ATOM 453 C ASP A 32 6.310 -0.269 11.465 1.00 0.50 C ATOM 454 O ASP A 32 6.869 0.439 12.316 1.00 0.66 O ATOM 455 CB ASP A 32 5.402 -1.917 13.133 1.00 0.69 C ATOM 456 CG ASP A 32 6.515 -2.934 12.977 1.00 1.46 C ATOM 457 OD1 ASP A 32 6.254 -4.035 12.439 1.00 1.95 O ATOM 458 OD2 ASP A 32 7.654 -2.664 13.388 1.00 2.20 O ATOM 0 H ASP A 32 5.334 -2.925 10.750 1.00 0.43 H new ATOM 0 HA ASP A 32 4.263 -0.479 11.983 1.00 0.52 H new ATOM 0 HB2 ASP A 32 5.670 -1.209 13.917 1.00 0.69 H new ATOM 0 HB3 ASP A 32 4.495 -2.426 13.459 1.00 0.69 H new ATOM 463 N LEU A 33 6.686 -0.268 10.218 1.00 0.42 N ATOM 464 CA LEU A 33 7.812 0.536 9.786 1.00 0.50 C ATOM 465 C LEU A 33 7.346 1.631 8.815 1.00 0.45 C ATOM 466 O LEU A 33 6.295 1.503 8.226 1.00 0.57 O ATOM 467 CB LEU A 33 8.964 -0.366 9.256 1.00 0.66 C ATOM 468 CG LEU A 33 8.676 -1.349 8.142 1.00 0.80 C ATOM 469 CD1 LEU A 33 8.353 -0.667 6.827 1.00 1.52 C ATOM 470 CD2 LEU A 33 9.836 -2.303 7.995 1.00 1.18 C ATOM 0 H LEU A 33 6.237 -0.810 9.479 1.00 0.42 H new ATOM 0 HA LEU A 33 8.240 1.067 10.636 1.00 0.50 H new ATOM 0 HB2 LEU A 33 9.765 0.290 8.916 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.353 -0.933 10.102 1.00 0.66 H new ATOM 0 HG LEU A 33 7.782 -1.909 8.416 1.00 0.80 H new ATOM 0 HD11 LEU A 33 8.155 -1.421 6.065 1.00 1.52 H new ATOM 0 HD12 LEU A 33 7.472 -0.037 6.951 1.00 1.52 H new ATOM 0 HD13 LEU A 33 9.199 -0.052 6.518 1.00 1.52 H new ATOM 0 HD21 LEU A 33 9.626 -3.010 7.192 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.740 -1.742 7.758 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.981 -2.847 8.929 1.00 1.18 H new ATOM 482 N ARG A 34 8.099 2.702 8.668 1.00 0.43 N ATOM 483 CA ARG A 34 7.672 3.806 7.819 1.00 0.42 C ATOM 484 C ARG A 34 8.123 3.635 6.379 1.00 0.36 C ATOM 485 O ARG A 34 9.162 3.032 6.112 1.00 0.45 O ATOM 486 CB ARG A 34 8.165 5.143 8.371 1.00 0.58 C ATOM 487 CG ARG A 34 7.463 5.572 9.637 1.00 0.77 C ATOM 488 CD ARG A 34 7.967 6.920 10.120 1.00 1.08 C ATOM 489 NE ARG A 34 7.140 7.439 11.203 1.00 1.82 N ATOM 490 CZ ARG A 34 7.500 8.359 12.094 1.00 2.41 C ATOM 491 NH1 ARG A 34 8.675 8.971 11.991 1.00 2.43 N ATOM 492 NH2 ARG A 34 6.651 8.703 13.068 1.00 3.44 N ATOM 0 H ARG A 34 9.004 2.836 9.120 1.00 0.43 H new ATOM 0 HA ARG A 34 6.582 3.801 7.824 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.235 5.074 8.565 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.028 5.913 7.611 1.00 0.58 H new ATOM 0 HG2 ARG A 34 6.389 5.626 9.459 1.00 0.77 H new ATOM 0 HG3 ARG A 34 7.620 4.823 10.414 1.00 0.77 H new ATOM 0 HD2 ARG A 34 8.998 6.824 10.461 1.00 1.08 H new ATOM 0 HD3 ARG A 34 7.970 7.628 9.291 1.00 1.08 H new ATOM 0 HE ARG A 34 6.196 7.061 11.285 1.00 1.82 H new ATOM 0 HH11 ARG A 34 9.307 8.736 11.225 1.00 2.43 H new ATOM 0 HH12 ARG A 34 8.945 9.675 12.677 1.00 2.43 H new ATOM 0 HH21 ARG A 34 5.734 8.261 13.125 1.00 3.44 H new ATOM 0 HH22 ARG A 34 6.921 9.408 13.754 1.00 3.44 H new ATOM 506 N PHE A 35 7.346 4.202 5.452 1.00 0.33 N ATOM 507 CA PHE A 35 7.654 4.153 4.013 1.00 0.33 C ATOM 508 C PHE A 35 8.955 4.872 3.756 1.00 0.38 C ATOM 509 O PHE A 35 9.799 4.418 2.982 1.00 0.43 O ATOM 510 CB PHE A 35 6.567 4.840 3.185 1.00 0.34 C ATOM 511 CG PHE A 35 5.204 4.267 3.352 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.890 3.035 2.818 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.236 4.965 4.045 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.632 2.508 2.972 1.00 0.50 C ATOM 515 CE2 PHE A 35 2.977 4.445 4.202 1.00 0.48 C ATOM 516 CZ PHE A 35 2.674 3.215 3.667 1.00 0.51 C ATOM 0 H PHE A 35 6.488 4.707 5.673 1.00 0.33 H new ATOM 0 HA PHE A 35 7.717 3.104 3.723 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.538 5.896 3.453 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.843 4.786 2.132 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.640 2.480 2.274 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.472 5.930 4.468 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.393 1.543 2.550 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.226 5.000 4.744 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.684 2.802 3.791 1.00 0.51 H new ATOM 526 N GLU A 36 9.104 6.001 4.436 1.00 0.48 N ATOM 527 CA GLU A 36 10.296 6.829 4.368 1.00 0.62 C ATOM 528 C GLU A 36 11.525 5.995 4.720 1.00 0.63 C ATOM 529 O GLU A 36 12.553 6.031 4.031 1.00 0.72 O ATOM 530 CB GLU A 36 10.159 7.954 5.381 1.00 0.83 C ATOM 531 CG GLU A 36 11.346 8.882 5.435 1.00 1.40 C ATOM 532 CD GLU A 36 11.250 9.856 6.557 1.00 1.83 C ATOM 533 OE1 GLU A 36 10.481 10.815 6.452 1.00 1.89 O ATOM 534 OE2 GLU A 36 11.936 9.679 7.580 1.00 2.73 O ATOM 0 H GLU A 36 8.387 6.371 5.060 1.00 0.48 H new ATOM 0 HA GLU A 36 10.408 7.230 3.361 1.00 0.62 H new ATOM 0 HB2 GLU A 36 9.268 8.535 5.144 1.00 0.83 H new ATOM 0 HB3 GLU A 36 10.004 7.522 6.369 1.00 0.83 H new ATOM 0 HG2 GLU A 36 12.258 8.296 5.543 1.00 1.40 H new ATOM 0 HG3 GLU A 36 11.425 9.423 4.492 1.00 1.40 H new ATOM 541 N ASP A 37 11.368 5.208 5.761 1.00 0.61 N ATOM 542 CA ASP A 37 12.420 4.381 6.312 1.00 0.70 C ATOM 543 C ASP A 37 12.826 3.276 5.347 1.00 0.69 C ATOM 544 O ASP A 37 14.002 2.966 5.211 1.00 0.82 O ATOM 545 CB ASP A 37 11.958 3.794 7.655 1.00 0.77 C ATOM 546 CG ASP A 37 12.952 2.839 8.279 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.914 3.292 8.931 1.00 1.27 O ATOM 548 OD2 ASP A 37 12.769 1.619 8.155 1.00 1.36 O ATOM 0 H ASP A 37 10.483 5.123 6.261 1.00 0.61 H new ATOM 0 HA ASP A 37 13.301 5.002 6.475 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.767 4.611 8.351 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.012 3.273 7.507 1.00 0.77 H new ATOM 553 N ILE A 38 11.859 2.704 4.653 1.00 0.59 N ATOM 554 CA ILE A 38 12.153 1.624 3.706 1.00 0.63 C ATOM 555 C ILE A 38 12.500 2.115 2.295 1.00 0.63 C ATOM 556 O ILE A 38 12.552 1.326 1.354 1.00 0.66 O ATOM 557 CB ILE A 38 11.056 0.522 3.644 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.665 1.147 3.423 1.00 0.48 C ATOM 559 CG2 ILE A 38 11.092 -0.338 4.905 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.533 0.147 3.281 1.00 0.54 C ATOM 0 H ILE A 38 10.874 2.959 4.719 1.00 0.59 H new ATOM 0 HA ILE A 38 13.050 1.164 4.120 1.00 0.63 H new ATOM 0 HB ILE A 38 11.261 -0.127 2.793 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.443 1.809 4.260 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.699 1.766 2.526 1.00 0.48 H new ATOM 0 HG21 ILE A 38 10.319 -1.104 4.845 1.00 0.67 H new ATOM 0 HG22 ILE A 38 12.068 -0.815 4.993 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.915 0.289 5.779 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.594 0.679 3.129 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.725 -0.501 2.426 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.465 -0.457 4.186 1.00 0.54 H new ATOM 572 N GLY A 39 12.799 3.405 2.177 1.00 0.63 N ATOM 573 CA GLY A 39 13.248 3.974 0.914 1.00 0.68 C ATOM 574 C GLY A 39 12.145 4.178 -0.118 1.00 0.59 C ATOM 575 O GLY A 39 12.398 4.128 -1.323 1.00 0.70 O ATOM 0 H GLY A 39 12.738 4.076 2.943 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.724 4.934 1.112 1.00 0.68 H new ATOM 0 HA3 GLY A 39 14.010 3.322 0.488 1.00 0.68 H new ATOM 579 N TYR A 40 10.940 4.414 0.329 1.00 0.45 N ATOM 580 CA TYR A 40 9.847 4.643 -0.592 1.00 0.45 C ATOM 581 C TYR A 40 9.529 6.099 -0.781 1.00 0.47 C ATOM 582 O TYR A 40 9.346 6.845 0.184 1.00 0.62 O ATOM 583 CB TYR A 40 8.583 3.880 -0.209 1.00 0.42 C ATOM 584 CG TYR A 40 8.576 2.435 -0.633 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.461 1.540 -0.061 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.712 1.969 -1.607 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.483 0.221 -0.443 1.00 0.60 C ATOM 588 CE2 TYR A 40 7.731 0.650 -2.000 1.00 0.68 C ATOM 589 CZ TYR A 40 8.507 -0.220 -1.411 1.00 0.67 C ATOM 590 OH TYR A 40 8.662 -1.526 -1.824 1.00 0.78 O ATOM 0 H TYR A 40 10.687 4.454 1.316 1.00 0.45 H new ATOM 0 HA TYR A 40 10.204 4.254 -1.545 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.457 3.929 0.873 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.723 4.380 -0.653 1.00 0.42 H new ATOM 0 HD1 TYR A 40 10.147 1.884 0.699 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.011 2.651 -2.066 1.00 0.57 H new ATOM 0 HE1 TYR A 40 10.208 -0.465 -0.032 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.093 0.329 -2.810 1.00 0.68 H new ATOM 0 HH TYR A 40 7.974 -1.743 -2.488 1.00 0.78 H new ATOM 600 N ASP A 41 9.505 6.496 -2.031 1.00 0.55 N ATOM 601 CA ASP A 41 9.065 7.821 -2.432 1.00 0.69 C ATOM 602 C ASP A 41 7.592 7.714 -2.707 1.00 0.85 C ATOM 603 O ASP A 41 7.030 6.601 -2.688 1.00 1.62 O ATOM 604 CB ASP A 41 9.726 8.280 -3.748 1.00 0.82 C ATOM 605 CG ASP A 41 11.230 8.365 -3.716 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.892 7.313 -3.800 1.00 1.32 O ATOM 607 OD2 ASP A 41 11.787 9.476 -3.565 1.00 1.27 O ATOM 0 H ASP A 41 9.793 5.905 -2.811 1.00 0.55 H new ATOM 0 HA ASP A 41 9.323 8.530 -1.646 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.434 7.592 -4.542 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.328 9.260 -4.013 1.00 0.82 H new ATOM 612 N SER A 42 6.970 8.812 -3.043 1.00 0.50 N ATOM 613 CA SER A 42 5.565 8.792 -3.386 1.00 0.53 C ATOM 614 C SER A 42 5.347 8.085 -4.718 1.00 0.51 C ATOM 615 O SER A 42 4.303 7.506 -4.960 1.00 0.48 O ATOM 616 CB SER A 42 4.956 10.196 -3.359 1.00 0.69 C ATOM 617 OG SER A 42 5.997 11.221 -3.528 1.00 1.05 O ATOM 0 H SER A 42 7.409 9.732 -3.088 1.00 0.50 H new ATOM 0 HA SER A 42 5.036 8.218 -2.625 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.214 10.291 -4.152 1.00 0.69 H new ATOM 0 HB3 SER A 42 4.435 10.353 -2.415 1.00 0.69 H new ATOM 622 N LEU A 43 6.364 8.158 -5.556 1.00 0.57 N ATOM 623 CA LEU A 43 6.442 7.507 -6.846 1.00 0.62 C ATOM 624 C LEU A 43 6.103 6.015 -6.692 1.00 0.56 C ATOM 625 O LEU A 43 5.092 5.542 -7.204 1.00 0.58 O ATOM 626 CB LEU A 43 7.896 7.711 -7.379 1.00 0.74 C ATOM 627 CG LEU A 43 8.217 7.403 -8.865 1.00 0.86 C ATOM 628 CD1 LEU A 43 8.115 5.928 -9.200 1.00 1.40 C ATOM 629 CD2 LEU A 43 7.349 8.231 -9.790 1.00 1.19 C ATOM 0 H LEU A 43 7.200 8.702 -5.342 1.00 0.57 H new ATOM 0 HA LEU A 43 5.729 7.931 -7.553 1.00 0.62 H new ATOM 0 HB2 LEU A 43 8.168 8.750 -7.195 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.557 7.096 -6.768 1.00 0.74 H new ATOM 0 HG LEU A 43 9.259 7.683 -9.020 1.00 0.86 H new ATOM 0 HD11 LEU A 43 8.351 5.777 -10.253 1.00 1.40 H new ATOM 0 HD12 LEU A 43 8.819 5.366 -8.586 1.00 1.40 H new ATOM 0 HD13 LEU A 43 7.102 5.579 -9.001 1.00 1.40 H new ATOM 0 HD21 LEU A 43 7.594 7.996 -10.826 1.00 1.19 H new ATOM 0 HD22 LEU A 43 6.299 8.003 -9.605 1.00 1.19 H new ATOM 0 HD23 LEU A 43 7.528 9.290 -9.606 1.00 1.19 H new ATOM 641 N ALA A 44 6.920 5.311 -5.930 1.00 0.54 N ATOM 642 CA ALA A 44 6.746 3.874 -5.727 1.00 0.54 C ATOM 643 C ALA A 44 5.549 3.576 -4.827 1.00 0.47 C ATOM 644 O ALA A 44 4.923 2.514 -4.928 1.00 0.53 O ATOM 645 CB ALA A 44 8.013 3.267 -5.149 1.00 0.59 C ATOM 0 H ALA A 44 7.718 5.710 -5.436 1.00 0.54 H new ATOM 0 HA ALA A 44 6.548 3.420 -6.698 1.00 0.54 H new ATOM 0 HB1 ALA A 44 7.870 2.196 -5.003 1.00 0.59 H new ATOM 0 HB2 ALA A 44 8.842 3.431 -5.837 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.238 3.737 -4.192 1.00 0.59 H new ATOM 651 N LEU A 45 5.218 4.510 -3.968 1.00 0.42 N ATOM 652 CA LEU A 45 4.107 4.333 -3.060 1.00 0.38 C ATOM 653 C LEU A 45 2.796 4.390 -3.857 1.00 0.37 C ATOM 654 O LEU A 45 1.938 3.510 -3.724 1.00 0.39 O ATOM 655 CB LEU A 45 4.154 5.415 -1.961 1.00 0.35 C ATOM 656 CG LEU A 45 3.422 5.136 -0.625 1.00 0.37 C ATOM 657 CD1 LEU A 45 3.782 6.207 0.382 1.00 0.38 C ATOM 658 CD2 LEU A 45 1.915 5.093 -0.798 1.00 0.53 C ATOM 0 H LEU A 45 5.703 5.403 -3.878 1.00 0.42 H new ATOM 0 HA LEU A 45 4.169 3.362 -2.569 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.201 5.611 -1.732 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.742 6.333 -2.380 1.00 0.35 H new ATOM 0 HG LEU A 45 3.744 4.157 -0.270 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.267 6.010 1.322 1.00 0.38 H new ATOM 0 HD12 LEU A 45 4.859 6.201 0.550 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.480 7.182 -0.000 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.444 4.895 0.165 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.565 6.051 -1.183 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.652 4.302 -1.500 1.00 0.53 H new ATOM 670 N MET A 46 2.654 5.387 -4.719 1.00 0.37 N ATOM 671 CA MET A 46 1.434 5.524 -5.475 1.00 0.40 C ATOM 672 C MET A 46 1.297 4.489 -6.595 1.00 0.35 C ATOM 673 O MET A 46 0.180 4.220 -7.040 1.00 0.36 O ATOM 674 CB MET A 46 1.184 6.956 -5.951 1.00 0.52 C ATOM 675 CG MET A 46 0.968 7.925 -4.794 1.00 0.70 C ATOM 676 SD MET A 46 0.449 9.579 -5.300 1.00 0.96 S ATOM 677 CE MET A 46 -1.118 9.222 -6.093 1.00 2.41 C ATOM 0 H MET A 46 3.361 6.099 -4.905 1.00 0.37 H new ATOM 0 HA MET A 46 0.631 5.300 -4.773 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.033 7.291 -6.548 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.310 6.972 -6.602 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.216 7.510 -4.123 1.00 0.70 H new ATOM 0 HG3 MET A 46 1.894 8.005 -4.225 1.00 0.70 H new ATOM 0 HE1 MET A 46 -1.725 10.127 -6.123 1.00 2.41 H new ATOM 0 HE2 MET A 46 -0.940 8.871 -7.110 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.643 8.451 -5.530 1.00 2.41 H new ATOM 687 N GLU A 47 2.418 3.892 -7.047 1.00 0.37 N ATOM 688 CA GLU A 47 2.320 2.769 -7.999 1.00 0.39 C ATOM 689 C GLU A 47 1.669 1.580 -7.305 1.00 0.37 C ATOM 690 O GLU A 47 0.824 0.887 -7.879 1.00 0.43 O ATOM 691 CB GLU A 47 3.676 2.343 -8.596 1.00 0.48 C ATOM 692 CG GLU A 47 4.319 3.362 -9.512 1.00 0.68 C ATOM 693 CD GLU A 47 5.484 2.784 -10.298 1.00 1.41 C ATOM 694 OE1 GLU A 47 5.272 2.150 -11.350 1.00 2.15 O ATOM 695 OE2 GLU A 47 6.647 2.940 -9.857 1.00 1.84 O ATOM 0 H GLU A 47 3.367 4.155 -6.781 1.00 0.37 H new ATOM 0 HA GLU A 47 1.713 3.116 -8.835 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.364 2.126 -7.779 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.537 1.415 -9.150 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.571 3.745 -10.206 1.00 0.68 H new ATOM 0 HG3 GLU A 47 4.668 4.208 -8.921 1.00 0.68 H new ATOM 702 N THR A 48 2.038 1.392 -6.052 1.00 0.36 N ATOM 703 CA THR A 48 1.476 0.361 -5.216 1.00 0.39 C ATOM 704 C THR A 48 -0.025 0.634 -5.012 1.00 0.35 C ATOM 705 O THR A 48 -0.855 -0.268 -5.121 1.00 0.40 O ATOM 706 CB THR A 48 2.200 0.356 -3.861 1.00 0.43 C ATOM 707 OG1 THR A 48 3.618 0.181 -4.090 1.00 0.51 O ATOM 708 CG2 THR A 48 1.674 -0.763 -2.969 1.00 0.51 C ATOM 0 H THR A 48 2.745 1.960 -5.585 1.00 0.36 H new ATOM 0 HA THR A 48 1.601 -0.612 -5.691 1.00 0.39 H new ATOM 0 HB THR A 48 2.018 1.304 -3.354 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.019 1.041 -4.334 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.202 -0.747 -2.015 1.00 0.51 H new ATOM 0 HG22 THR A 48 0.607 -0.620 -2.796 1.00 0.51 H new ATOM 0 HG23 THR A 48 1.836 -1.724 -3.457 1.00 0.51 H new ATOM 716 N ALA A 49 -0.351 1.889 -4.726 1.00 0.31 N ATOM 717 CA ALA A 49 -1.734 2.311 -4.551 1.00 0.32 C ATOM 718 C ALA A 49 -2.557 2.025 -5.808 1.00 0.30 C ATOM 719 O ALA A 49 -3.625 1.425 -5.727 1.00 0.32 O ATOM 720 CB ALA A 49 -1.799 3.785 -4.199 1.00 0.38 C ATOM 0 H ALA A 49 0.332 2.638 -4.610 1.00 0.31 H new ATOM 0 HA ALA A 49 -2.161 1.737 -3.728 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.840 4.083 -4.072 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.255 3.962 -3.271 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.349 4.371 -5.001 1.00 0.38 H new ATOM 726 N ALA A 50 -2.024 2.408 -6.969 1.00 0.29 N ATOM 727 CA ALA A 50 -2.700 2.192 -8.250 1.00 0.31 C ATOM 728 C ALA A 50 -2.892 0.701 -8.522 1.00 0.31 C ATOM 729 O ALA A 50 -3.915 0.287 -9.066 1.00 0.35 O ATOM 730 CB ALA A 50 -1.916 2.844 -9.381 1.00 0.39 C ATOM 0 H ALA A 50 -1.120 2.873 -7.049 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.685 2.656 -8.197 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.432 2.674 -10.326 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.837 3.916 -9.198 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.918 2.409 -9.429 1.00 0.39 H new ATOM 736 N ARG A 51 -1.910 -0.096 -8.101 1.00 0.32 N ATOM 737 CA ARG A 51 -1.911 -1.557 -8.261 1.00 0.38 C ATOM 738 C ARG A 51 -3.126 -2.138 -7.517 1.00 0.37 C ATOM 739 O ARG A 51 -3.782 -3.083 -7.973 1.00 0.47 O ATOM 740 CB ARG A 51 -0.626 -2.113 -7.628 1.00 0.49 C ATOM 741 CG ARG A 51 -0.101 -3.420 -8.192 1.00 0.97 C ATOM 742 CD ARG A 51 0.332 -3.228 -9.629 1.00 0.98 C ATOM 743 NE ARG A 51 1.297 -4.234 -10.082 1.00 1.92 N ATOM 744 CZ ARG A 51 2.190 -4.017 -11.070 1.00 2.31 C ATOM 745 NH1 ARG A 51 2.188 -2.857 -11.729 1.00 2.05 N ATOM 746 NH2 ARG A 51 3.104 -4.935 -11.355 1.00 3.40 N ATOM 0 H ARG A 51 -1.076 0.257 -7.631 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.961 -1.825 -9.316 1.00 0.38 H new ATOM 0 HB2 ARG A 51 0.156 -1.360 -7.728 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.803 -2.249 -6.561 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.740 -3.772 -7.594 1.00 0.97 H new ATOM 0 HG3 ARG A 51 -0.874 -4.186 -8.136 1.00 0.97 H new ATOM 0 HD2 ARG A 51 -0.546 -3.261 -10.274 1.00 0.98 H new ATOM 0 HD3 ARG A 51 0.772 -2.237 -9.740 1.00 0.98 H new ATOM 0 HE ARG A 51 1.293 -5.146 -9.626 1.00 1.92 H new ATOM 0 HH11 ARG A 51 1.511 -2.134 -11.486 1.00 2.05 H new ATOM 0 HH12 ARG A 51 2.863 -2.694 -12.476 1.00 2.05 H new ATOM 0 HH21 ARG A 51 3.133 -5.807 -10.827 1.00 3.40 H new ATOM 0 HH22 ARG A 51 3.778 -4.769 -12.102 1.00 3.40 H new ATOM 760 N LEU A 52 -3.426 -1.539 -6.386 1.00 0.32 N ATOM 761 CA LEU A 52 -4.523 -1.960 -5.550 1.00 0.34 C ATOM 762 C LEU A 52 -5.855 -1.412 -6.060 1.00 0.33 C ATOM 763 O LEU A 52 -6.852 -2.146 -6.123 1.00 0.40 O ATOM 764 CB LEU A 52 -4.278 -1.515 -4.102 1.00 0.35 C ATOM 765 CG LEU A 52 -3.000 -2.050 -3.448 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.841 -1.493 -2.046 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.997 -3.573 -3.425 1.00 0.39 C ATOM 0 H LEU A 52 -2.910 -0.739 -6.019 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.579 -3.048 -5.585 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.248 -0.426 -4.077 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.130 -1.825 -3.497 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.151 -1.719 -4.046 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.927 -1.886 -1.600 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.785 -0.405 -2.091 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.697 -1.787 -1.438 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -2.079 -3.928 -2.956 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.856 -3.930 -2.857 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -3.053 -3.952 -4.445 1.00 0.39 H new ATOM 779 N GLU A 53 -5.867 -0.130 -6.442 1.00 0.28 N ATOM 780 CA GLU A 53 -7.079 0.527 -6.943 1.00 0.29 C ATOM 781 C GLU A 53 -7.603 -0.168 -8.181 1.00 0.31 C ATOM 782 O GLU A 53 -8.790 -0.316 -8.336 1.00 0.35 O ATOM 783 CB GLU A 53 -6.838 1.994 -7.298 1.00 0.29 C ATOM 784 CG GLU A 53 -6.427 2.895 -6.159 1.00 0.35 C ATOM 785 CD GLU A 53 -6.227 4.315 -6.632 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.367 4.540 -7.506 1.00 0.53 O ATOM 787 OE2 GLU A 53 -6.918 5.241 -6.130 1.00 0.51 O ATOM 0 H GLU A 53 -5.047 0.475 -6.413 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.807 0.467 -6.134 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -6.066 2.039 -8.066 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.751 2.394 -7.740 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.189 2.872 -5.380 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.504 2.524 -5.713 1.00 0.35 H new ATOM 794 N SER A 54 -6.724 -0.589 -9.046 1.00 0.35 N ATOM 795 CA SER A 54 -7.136 -1.250 -10.257 1.00 0.43 C ATOM 796 C SER A 54 -7.666 -2.666 -9.985 1.00 0.47 C ATOM 797 O SER A 54 -8.770 -3.015 -10.421 1.00 0.61 O ATOM 798 CB SER A 54 -5.994 -1.247 -11.271 1.00 0.49 C ATOM 799 OG SER A 54 -4.778 -1.642 -10.650 1.00 1.16 O ATOM 0 H SER A 54 -5.715 -0.487 -8.937 1.00 0.35 H new ATOM 0 HA SER A 54 -7.969 -0.693 -10.685 1.00 0.43 H new ATOM 0 HB2 SER A 54 -6.227 -1.925 -12.092 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.883 -0.251 -11.701 1.00 0.49 H new ATOM 0 HG SER A 54 -4.308 -0.849 -10.317 1.00 1.16 H new ATOM 805 N ARG A 55 -6.910 -3.447 -9.213 1.00 0.40 N ATOM 806 CA ARG A 55 -7.277 -4.830 -8.928 1.00 0.46 C ATOM 807 C ARG A 55 -8.582 -4.925 -8.125 1.00 0.47 C ATOM 808 O ARG A 55 -9.458 -5.733 -8.438 1.00 0.57 O ATOM 809 CB ARG A 55 -6.143 -5.569 -8.190 1.00 0.50 C ATOM 810 CG ARG A 55 -6.427 -7.053 -7.973 1.00 0.61 C ATOM 811 CD ARG A 55 -5.323 -7.759 -7.198 1.00 0.75 C ATOM 812 NE ARG A 55 -5.635 -9.188 -7.022 1.00 1.28 N ATOM 813 CZ ARG A 55 -5.257 -9.966 -5.993 1.00 1.65 C ATOM 814 NH1 ARG A 55 -4.473 -9.481 -5.032 1.00 1.46 N ATOM 815 NH2 ARG A 55 -5.666 -11.232 -5.952 1.00 2.65 N ATOM 0 H ARG A 55 -6.040 -3.143 -8.775 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.441 -5.315 -9.890 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -5.220 -5.463 -8.759 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.978 -5.093 -7.223 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -7.369 -7.163 -7.436 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.553 -7.539 -8.940 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.376 -7.652 -7.727 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -5.199 -7.287 -6.223 1.00 0.75 H new ATOM 0 HE ARG A 55 -6.193 -9.630 -7.753 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -4.155 -8.513 -5.073 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -4.191 -10.078 -4.254 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -6.259 -11.601 -6.696 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -5.387 -11.833 -5.177 1.00 2.65 H new ATOM 829 N TYR A 56 -8.720 -4.090 -7.119 1.00 0.42 N ATOM 830 CA TYR A 56 -9.893 -4.142 -6.259 1.00 0.47 C ATOM 831 C TYR A 56 -10.963 -3.150 -6.686 1.00 0.50 C ATOM 832 O TYR A 56 -12.034 -3.099 -6.091 1.00 0.67 O ATOM 833 CB TYR A 56 -9.500 -3.946 -4.790 1.00 0.52 C ATOM 834 CG TYR A 56 -8.556 -5.011 -4.282 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.010 -6.290 -3.984 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.213 -4.728 -4.073 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.151 -7.253 -3.496 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.350 -5.687 -3.590 1.00 0.65 C ATOM 839 CZ TYR A 56 -6.822 -6.989 -3.396 1.00 0.67 C ATOM 840 OH TYR A 56 -5.960 -7.901 -2.814 1.00 0.79 O ATOM 0 H TYR A 56 -8.042 -3.369 -6.873 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.329 -5.135 -6.364 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -9.032 -2.968 -4.672 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.401 -3.944 -4.176 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.051 -6.534 -4.137 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.838 -3.739 -4.293 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -8.535 -8.216 -3.194 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.324 -5.437 -3.364 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.047 -7.545 -2.830 1.00 0.79 H new ATOM 850 N GLY A 57 -10.672 -2.381 -7.722 1.00 0.41 N ATOM 851 CA GLY A 57 -11.626 -1.412 -8.250 1.00 0.45 C ATOM 852 C GLY A 57 -11.964 -0.309 -7.262 1.00 0.46 C ATOM 853 O GLY A 57 -13.139 0.013 -7.060 1.00 0.61 O ATOM 0 H GLY A 57 -9.781 -2.407 -8.217 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.218 -0.966 -9.157 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.542 -1.930 -8.534 1.00 0.45 H new ATOM 857 N VAL A 58 -10.949 0.295 -6.668 1.00 0.38 N ATOM 858 CA VAL A 58 -11.187 1.305 -5.656 1.00 0.42 C ATOM 859 C VAL A 58 -10.733 2.688 -6.114 1.00 0.45 C ATOM 860 O VAL A 58 -10.292 2.853 -7.252 1.00 0.51 O ATOM 861 CB VAL A 58 -10.572 0.953 -4.257 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.881 -0.460 -3.874 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.073 1.202 -4.157 1.00 0.57 C ATOM 0 H VAL A 58 -9.966 0.106 -6.866 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.268 1.324 -5.521 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.047 1.638 -3.555 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.443 -0.677 -2.900 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.961 -0.595 -3.824 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.464 -1.138 -4.619 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.725 0.934 -3.159 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.553 0.595 -4.898 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -8.866 2.256 -4.342 1.00 0.57 H new ATOM 873 N SER A 59 -10.838 3.660 -5.223 1.00 0.51 N ATOM 874 CA SER A 59 -10.423 5.025 -5.471 1.00 0.61 C ATOM 875 C SER A 59 -9.889 5.599 -4.155 1.00 0.56 C ATOM 876 O SER A 59 -10.646 5.734 -3.198 1.00 0.63 O ATOM 877 CB SER A 59 -11.632 5.862 -5.928 1.00 0.84 C ATOM 878 OG SER A 59 -12.284 5.278 -7.053 1.00 1.59 O ATOM 0 H SER A 59 -11.222 3.516 -4.289 1.00 0.51 H new ATOM 0 HA SER A 59 -9.658 5.051 -6.247 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.341 5.956 -5.105 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.302 6.869 -6.181 1.00 0.84 H new ATOM 0 HG SER A 59 -13.047 5.835 -7.314 1.00 1.59 H new ATOM 884 N ILE A 60 -8.611 5.864 -4.086 1.00 0.50 N ATOM 885 CA ILE A 60 -8.020 6.426 -2.879 1.00 0.48 C ATOM 886 C ILE A 60 -8.005 7.964 -2.940 1.00 0.53 C ATOM 887 O ILE A 60 -7.329 8.559 -3.806 1.00 0.63 O ATOM 888 CB ILE A 60 -6.583 5.872 -2.618 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.624 4.347 -2.423 1.00 0.64 C ATOM 890 CG2 ILE A 60 -5.934 6.550 -1.411 1.00 0.53 C ATOM 891 CD1 ILE A 60 -7.506 3.896 -1.266 1.00 0.75 C ATOM 0 H ILE A 60 -7.951 5.703 -4.847 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.646 6.117 -2.042 1.00 0.48 H new ATOM 0 HB ILE A 60 -5.973 6.098 -3.493 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.982 3.883 -3.342 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -5.610 3.984 -2.256 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -4.935 6.141 -1.257 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -5.863 7.623 -1.591 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.540 6.370 -0.523 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -7.483 2.809 -1.193 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -7.137 4.330 -0.337 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -8.530 4.226 -1.439 1.00 0.75 H new ATOM 903 N PRO A 61 -8.759 8.624 -2.036 1.00 0.65 N ATOM 904 CA PRO A 61 -8.842 10.079 -1.976 1.00 0.77 C ATOM 905 C PRO A 61 -7.568 10.690 -1.395 1.00 0.65 C ATOM 906 O PRO A 61 -7.062 10.226 -0.373 1.00 0.57 O ATOM 907 CB PRO A 61 -10.040 10.345 -1.041 1.00 0.97 C ATOM 908 CG PRO A 61 -10.681 9.009 -0.827 1.00 1.08 C ATOM 909 CD PRO A 61 -9.590 8.005 -0.992 1.00 0.83 C ATOM 0 HA PRO A 61 -8.961 10.523 -2.964 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.712 10.779 -0.097 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.740 11.049 -1.490 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.126 8.943 0.166 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.481 8.839 -1.547 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.035 7.850 -0.067 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -9.974 7.032 -1.300 1.00 0.83 H new ATOM 917 N ASP A 62 -7.094 11.746 -2.046 1.00 0.74 N ATOM 918 CA ASP A 62 -5.850 12.482 -1.712 1.00 0.73 C ATOM 919 C ASP A 62 -5.795 12.813 -0.232 1.00 0.62 C ATOM 920 O ASP A 62 -4.868 12.413 0.477 1.00 0.64 O ATOM 921 CB ASP A 62 -5.805 13.826 -2.482 1.00 0.93 C ATOM 922 CG ASP A 62 -6.125 13.707 -3.950 1.00 1.44 C ATOM 923 OD1 ASP A 62 -7.294 13.485 -4.309 1.00 1.92 O ATOM 924 OD2 ASP A 62 -5.181 13.842 -4.781 1.00 2.07 O ATOM 0 H ASP A 62 -7.574 12.140 -2.855 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.011 11.843 -1.987 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -6.510 14.519 -2.023 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -4.812 14.262 -2.372 1.00 0.93 H new ATOM 929 N ASP A 63 -6.825 13.512 0.235 1.00 0.63 N ATOM 930 CA ASP A 63 -6.902 13.961 1.626 1.00 0.61 C ATOM 931 C ASP A 63 -6.878 12.812 2.606 1.00 0.59 C ATOM 932 O ASP A 63 -6.231 12.886 3.640 1.00 0.64 O ATOM 933 CB ASP A 63 -8.145 14.825 1.881 1.00 0.77 C ATOM 934 CG ASP A 63 -8.045 16.228 1.320 1.00 1.36 C ATOM 935 OD1 ASP A 63 -8.340 16.438 0.117 1.00 2.00 O ATOM 936 OD2 ASP A 63 -7.699 17.164 2.077 1.00 2.10 O ATOM 0 H ASP A 63 -7.627 13.783 -0.334 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.011 14.568 1.789 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -9.014 14.331 1.445 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -8.319 14.886 2.955 1.00 0.77 H new ATOM 941 N VAL A 64 -7.536 11.727 2.263 1.00 0.62 N ATOM 942 CA VAL A 64 -7.647 10.591 3.170 1.00 0.69 C ATOM 943 C VAL A 64 -6.381 9.711 3.098 1.00 0.67 C ATOM 944 O VAL A 64 -6.087 8.930 4.009 1.00 0.78 O ATOM 945 CB VAL A 64 -8.938 9.753 2.879 1.00 0.82 C ATOM 946 CG1 VAL A 64 -9.142 8.645 3.903 1.00 0.98 C ATOM 947 CG2 VAL A 64 -10.167 10.654 2.837 1.00 0.90 C ATOM 0 H VAL A 64 -8.004 11.601 1.365 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.733 10.978 4.185 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.802 9.286 1.904 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -10.049 8.090 3.662 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -8.287 7.970 3.884 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -9.237 9.081 4.897 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -11.053 10.052 2.634 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -10.283 11.157 3.797 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -10.046 11.398 2.050 1.00 0.90 H new ATOM 957 N ALA A 65 -5.613 9.901 2.044 1.00 0.61 N ATOM 958 CA ALA A 65 -4.391 9.153 1.825 1.00 0.67 C ATOM 959 C ALA A 65 -3.243 9.726 2.643 1.00 0.64 C ATOM 960 O ALA A 65 -2.318 9.012 3.016 1.00 0.74 O ATOM 961 CB ALA A 65 -4.044 9.150 0.349 1.00 0.77 C ATOM 0 H ALA A 65 -5.820 10.581 1.312 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.553 8.126 2.153 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -3.124 8.586 0.193 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.854 8.687 -0.214 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.904 10.175 0.006 1.00 0.77 H new ATOM 967 N GLY A 66 -3.331 11.007 2.977 1.00 0.58 N ATOM 968 CA GLY A 66 -2.288 11.670 3.761 1.00 0.66 C ATOM 969 C GLY A 66 -2.376 11.341 5.249 1.00 0.68 C ATOM 970 O GLY A 66 -2.224 12.213 6.107 1.00 0.86 O ATOM 0 H GLY A 66 -4.112 11.610 2.719 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -1.310 11.372 3.384 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -2.367 12.749 3.626 1.00 0.66 H new ATOM 974 N ARG A 67 -2.651 10.096 5.539 1.00 0.64 N ATOM 975 CA ARG A 67 -2.784 9.597 6.892 1.00 0.79 C ATOM 976 C ARG A 67 -1.944 8.340 7.060 1.00 0.77 C ATOM 977 O ARG A 67 -1.797 7.817 8.163 1.00 0.95 O ATOM 978 CB ARG A 67 -4.253 9.292 7.185 1.00 0.94 C ATOM 979 CG ARG A 67 -5.157 10.516 7.149 1.00 1.12 C ATOM 980 CD ARG A 67 -6.620 10.124 7.151 1.00 1.40 C ATOM 981 NE ARG A 67 -7.010 9.361 8.341 1.00 1.89 N ATOM 982 CZ ARG A 67 -7.760 8.253 8.322 1.00 2.51 C ATOM 983 NH1 ARG A 67 -7.996 7.630 7.165 1.00 2.93 N ATOM 984 NH2 ARG A 67 -8.217 7.736 9.463 1.00 3.22 N ATOM 0 H ARG A 67 -2.793 9.380 4.827 1.00 0.64 H new ATOM 0 HA ARG A 67 -2.432 10.353 7.594 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.615 8.564 6.459 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -4.328 8.826 8.168 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -4.948 11.150 8.011 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -4.938 11.106 6.259 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -7.231 11.024 7.088 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -6.832 9.531 6.261 1.00 1.40 H new ATOM 0 HE ARG A 67 -6.687 9.699 9.247 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -7.605 7.999 6.298 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -8.567 6.785 7.148 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -7.995 8.185 10.351 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -8.789 6.891 9.447 1.00 3.22 H new ATOM 998 N VAL A 68 -1.374 7.872 5.970 1.00 0.62 N ATOM 999 CA VAL A 68 -0.588 6.653 5.995 1.00 0.66 C ATOM 1000 C VAL A 68 0.873 6.948 6.364 1.00 0.67 C ATOM 1001 O VAL A 68 1.622 7.564 5.603 1.00 1.00 O ATOM 1002 CB VAL A 68 -0.687 5.866 4.639 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.119 5.426 4.389 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.195 6.683 3.452 1.00 0.64 C ATOM 0 H VAL A 68 -1.439 8.316 5.054 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.007 6.010 6.769 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.039 4.995 4.733 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.173 4.882 3.446 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.448 4.778 5.201 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -2.766 6.302 4.340 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.285 6.092 2.541 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -0.796 7.588 3.359 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.849 6.955 3.606 1.00 0.64 H new ATOM 1014 N ASP A 69 1.239 6.610 7.571 1.00 0.54 N ATOM 1015 CA ASP A 69 2.615 6.803 8.003 1.00 0.64 C ATOM 1016 C ASP A 69 3.359 5.498 7.817 1.00 0.50 C ATOM 1017 O ASP A 69 4.530 5.471 7.385 1.00 0.54 O ATOM 1018 CB ASP A 69 2.673 7.263 9.464 1.00 0.99 C ATOM 1019 CG ASP A 69 4.085 7.545 9.940 1.00 1.11 C ATOM 1020 OD1 ASP A 69 4.707 8.528 9.459 1.00 1.37 O ATOM 1021 OD2 ASP A 69 4.576 6.832 10.843 1.00 1.84 O ATOM 0 H ASP A 69 0.619 6.204 8.272 1.00 0.54 H new ATOM 0 HA ASP A 69 3.083 7.584 7.403 1.00 0.64 H new ATOM 0 HB2 ASP A 69 2.070 8.163 9.580 1.00 0.99 H new ATOM 0 HB3 ASP A 69 2.228 6.497 10.099 1.00 0.99 H new ATOM 1026 N THR A 70 2.655 4.416 8.099 1.00 0.43 N ATOM 1027 CA THR A 70 3.161 3.081 7.942 1.00 0.37 C ATOM 1028 C THR A 70 2.204 2.292 7.006 1.00 0.33 C ATOM 1029 O THR A 70 1.054 2.735 6.762 1.00 0.34 O ATOM 1030 CB THR A 70 3.239 2.364 9.324 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.932 2.220 9.883 1.00 0.51 O ATOM 1032 CG2 THR A 70 4.096 3.149 10.302 1.00 0.44 C ATOM 0 H THR A 70 1.698 4.451 8.450 1.00 0.43 H new ATOM 0 HA THR A 70 4.162 3.123 7.513 1.00 0.37 H new ATOM 0 HB THR A 70 3.687 1.384 9.158 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.549 3.106 10.051 1.00 0.51 H new ATOM 0 HG21 THR A 70 4.132 2.624 11.257 1.00 0.44 H new ATOM 0 HG22 THR A 70 5.106 3.247 9.904 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.666 4.140 10.448 1.00 0.44 H new ATOM 1040 N PRO A 71 2.654 1.132 6.439 1.00 0.32 N ATOM 1041 CA PRO A 71 1.820 0.270 5.580 1.00 0.31 C ATOM 1042 C PRO A 71 0.552 -0.210 6.287 1.00 0.29 C ATOM 1043 O PRO A 71 -0.430 -0.578 5.639 1.00 0.33 O ATOM 1044 CB PRO A 71 2.737 -0.923 5.287 1.00 0.34 C ATOM 1045 CG PRO A 71 4.098 -0.359 5.400 1.00 0.38 C ATOM 1046 CD PRO A 71 4.021 0.603 6.543 1.00 0.36 C ATOM 0 HA PRO A 71 1.472 0.798 4.692 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.579 -1.733 5.999 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.555 -1.333 4.293 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.835 -1.140 5.589 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.395 0.144 4.480 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.190 0.108 7.499 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.767 1.393 6.456 1.00 0.36 H new ATOM 1054 N ARG A 72 0.581 -0.182 7.609 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.544 -0.562 8.443 1.00 0.34 C ATOM 1056 C ARG A 72 -1.771 0.304 8.111 1.00 0.36 C ATOM 1057 O ARG A 72 -2.866 -0.221 7.873 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.139 -0.396 9.902 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.213 -0.680 10.936 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.673 -0.389 12.326 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.137 0.976 12.405 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.777 1.427 13.270 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.260 0.641 14.248 1.00 1.38 N ATOM 1064 NH2 ARG A 72 1.205 2.674 13.146 1.00 1.16 N ATOM 0 H ARG A 72 1.401 0.110 8.140 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.815 -1.601 8.257 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.707 -1.054 10.099 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.212 0.626 10.045 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.092 -0.065 10.740 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.530 -1.721 10.869 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.466 -0.516 13.063 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.109 -1.106 12.574 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.500 1.649 11.730 1.00 0.75 H new ATOM 0 HH11 ARG A 72 0.929 -0.319 14.340 1.00 1.38 H new ATOM 0 HH12 ARG A 72 1.957 1.005 14.897 1.00 1.38 H new ATOM 0 HH21 ARG A 72 0.838 3.268 12.402 1.00 1.16 H new ATOM 0 HH22 ARG A 72 1.902 3.041 13.794 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.570 1.624 8.046 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.656 2.554 7.729 1.00 0.42 C ATOM 1080 C GLU A 73 -3.122 2.364 6.290 1.00 0.40 C ATOM 1081 O GLU A 73 -4.300 2.540 5.982 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.263 4.040 7.935 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.963 4.482 9.367 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.703 3.903 9.921 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.388 4.381 9.549 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -0.779 2.942 10.707 1.00 1.33 O ATOM 0 H GLU A 73 -0.667 2.071 8.208 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.462 2.322 8.425 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.384 4.246 7.325 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -3.071 4.662 7.550 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -1.896 5.570 9.396 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -2.797 4.196 10.008 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.192 1.984 5.419 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.483 1.788 3.998 1.00 0.43 C ATOM 1095 C LEU A 74 -3.396 0.563 3.845 1.00 0.41 C ATOM 1096 O LEU A 74 -4.424 0.624 3.165 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.151 1.608 3.208 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.154 1.891 1.675 1.00 0.50 C ATOM 1099 CD1 LEU A 74 0.243 1.732 1.106 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.117 0.996 0.912 1.00 1.10 C ATOM 0 H LEU A 74 -1.221 1.804 5.673 1.00 0.40 H new ATOM 0 HA LEU A 74 -2.996 2.659 3.590 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.404 2.258 3.664 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.814 0.582 3.356 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.494 2.919 1.550 1.00 0.50 H new ATOM 0 HD11 LEU A 74 0.225 1.933 0.035 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.917 2.435 1.595 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.592 0.714 1.278 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.076 1.239 -0.150 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -1.836 -0.047 1.057 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.130 1.154 1.281 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.024 -0.527 4.513 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.793 -1.774 4.482 1.00 0.41 C ATOM 1114 C LEU A 75 -5.205 -1.506 4.983 1.00 0.39 C ATOM 1115 O LEU A 75 -6.201 -1.834 4.316 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.128 -2.814 5.398 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.759 -4.219 5.418 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.525 -4.931 4.104 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.209 -5.038 6.576 1.00 0.54 C ATOM 0 H LEU A 75 -2.184 -0.573 5.090 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.825 -2.152 3.460 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.084 -2.913 5.099 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.132 -2.424 6.416 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.834 -4.106 5.558 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.979 -5.921 4.141 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -3.973 -4.356 3.294 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.454 -5.030 3.929 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.667 -6.027 6.572 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.129 -5.138 6.470 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.436 -4.536 7.517 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.266 -0.850 6.133 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.514 -0.528 6.815 1.00 0.48 C ATOM 1133 C ASP A 76 -7.401 0.360 5.943 1.00 0.40 C ATOM 1134 O ASP A 76 -8.625 0.181 5.898 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.203 0.179 8.134 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.411 0.360 9.028 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.115 1.366 8.898 1.00 1.89 O ATOM 1138 OD2 ASP A 76 -7.636 -0.505 9.918 1.00 1.08 O ATOM 0 H ASP A 76 -4.437 -0.521 6.627 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.053 -1.454 7.012 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.446 -0.392 8.672 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -5.772 1.157 7.919 1.00 0.66 H new ATOM 1143 N LEU A 77 -6.774 1.298 5.239 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.468 2.224 4.351 1.00 0.38 C ATOM 1145 C LEU A 77 -8.157 1.476 3.215 1.00 0.33 C ATOM 1146 O LEU A 77 -9.324 1.727 2.924 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.491 3.271 3.786 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.091 4.363 2.901 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.112 5.156 3.678 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -5.999 5.281 2.370 1.00 1.24 C ATOM 0 H LEU A 77 -5.764 1.437 5.269 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.231 2.740 4.934 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.986 3.752 4.624 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.727 2.748 3.210 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.585 3.891 2.052 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.534 5.932 3.039 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -8.908 4.492 4.016 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -7.633 5.618 4.541 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -6.445 6.052 1.742 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -5.479 5.750 3.206 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.289 4.700 1.781 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.451 0.532 2.612 1.00 0.31 N ATOM 1163 CA ILE A 78 -7.999 -0.229 1.496 1.00 0.32 C ATOM 1164 C ILE A 78 -9.149 -1.085 2.009 1.00 0.29 C ATOM 1165 O ILE A 78 -10.255 -1.044 1.466 1.00 0.33 O ATOM 1166 CB ILE A 78 -6.928 -1.153 0.842 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -5.723 -0.342 0.324 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.549 -1.974 -0.299 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -6.054 0.652 -0.772 1.00 0.63 C ATOM 0 H ILE A 78 -6.500 0.274 2.874 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.341 0.475 0.737 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.566 -1.835 1.611 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -5.277 0.195 1.161 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -4.969 -1.035 -0.048 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -6.787 -2.613 -0.744 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.356 -2.592 0.095 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -7.945 -1.300 -1.058 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -5.147 1.176 -1.074 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -6.470 0.123 -1.629 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -6.783 1.373 -0.402 1.00 0.63 H new ATOM 1181 N ASN A 79 -8.868 -1.836 3.073 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.851 -2.720 3.707 1.00 0.33 C ATOM 1183 C ASN A 79 -11.127 -1.961 4.044 1.00 0.37 C ATOM 1184 O ASN A 79 -12.225 -2.357 3.647 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.302 -3.344 5.007 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.124 -4.300 4.853 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.322 -4.451 5.765 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -8.008 -4.953 3.725 1.00 0.55 N ATOM 0 H ASN A 79 -7.952 -1.850 3.522 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.065 -3.512 2.989 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -9.002 -2.536 5.674 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.114 -3.879 5.499 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.236 -5.606 3.591 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -8.690 -4.809 2.980 1.00 0.55 H new ATOM 1195 N GLY A 80 -10.957 -0.846 4.731 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.069 -0.034 5.164 1.00 0.46 C ATOM 1197 C GLY A 80 -12.853 0.563 4.019 1.00 0.47 C ATOM 1198 O GLY A 80 -14.091 0.566 4.050 1.00 0.57 O ATOM 0 H GLY A 80 -10.043 -0.482 5.002 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.737 -0.641 5.775 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.697 0.770 5.799 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.159 1.042 2.994 1.00 0.43 N ATOM 1203 CA ALA A 81 -12.822 1.660 1.868 1.00 0.49 C ATOM 1204 C ALA A 81 -13.573 0.623 1.040 1.00 0.54 C ATOM 1205 O ALA A 81 -14.630 0.917 0.474 1.00 0.68 O ATOM 1206 CB ALA A 81 -11.841 2.452 1.037 1.00 0.49 C ATOM 0 H ALA A 81 -11.142 1.012 2.925 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.564 2.363 2.247 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.362 2.908 0.195 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.391 3.232 1.651 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.061 1.788 0.664 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.049 -0.604 0.995 1.00 0.48 N ATOM 1213 CA LEU A 82 -13.748 -1.715 0.345 1.00 0.57 C ATOM 1214 C LEU A 82 -15.083 -1.945 1.026 1.00 0.70 C ATOM 1215 O LEU A 82 -16.108 -2.146 0.371 1.00 0.87 O ATOM 1216 CB LEU A 82 -12.914 -3.008 0.397 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.698 -3.081 -0.530 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.884 -4.329 -0.227 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.159 -3.112 -1.978 1.00 0.63 C ATOM 0 H LEU A 82 -12.146 -0.853 1.399 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.904 -1.452 -0.701 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.570 -3.149 1.421 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.571 -3.846 0.163 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.075 -2.202 -0.366 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.021 -4.371 -0.892 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.543 -4.299 0.808 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.503 -5.213 -0.379 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -11.291 -3.164 -2.635 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -12.790 -3.986 -2.140 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -12.727 -2.208 -2.198 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.075 -1.828 2.339 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.257 -2.029 3.144 1.00 0.87 C ATOM 1233 C ALA A 83 -17.191 -0.807 3.135 1.00 1.01 C ATOM 1234 O ALA A 83 -18.175 -0.769 3.866 1.00 1.25 O ATOM 1235 CB ALA A 83 -15.885 -2.421 4.566 1.00 0.90 C ATOM 0 H ALA A 83 -14.242 -1.589 2.878 1.00 0.69 H new ATOM 0 HA ALA A 83 -16.811 -2.851 2.692 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -16.792 -2.567 5.152 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.311 -3.347 4.550 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -15.285 -1.630 5.016 1.00 0.90 H new ATOM 1241 N GLU A 84 -16.875 0.212 2.339 1.00 0.95 N ATOM 1242 CA GLU A 84 -17.819 1.303 2.170 1.00 1.11 C ATOM 1243 C GLU A 84 -18.824 0.862 1.108 1.00 1.18 C ATOM 1244 O GLU A 84 -19.986 1.286 1.088 1.00 1.36 O ATOM 1245 CB GLU A 84 -17.131 2.624 1.758 1.00 1.15 C ATOM 1246 CG GLU A 84 -18.097 3.810 1.693 1.00 1.57 C ATOM 1247 CD GLU A 84 -17.459 5.114 1.265 1.00 1.76 C ATOM 1248 OE1 GLU A 84 -16.777 5.751 2.094 1.00 1.86 O ATOM 1249 OE2 GLU A 84 -17.586 5.496 0.073 1.00 2.49 O ATOM 0 H GLU A 84 -16.002 0.302 1.819 1.00 0.95 H new ATOM 0 HA GLU A 84 -18.310 1.511 3.121 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -16.336 2.849 2.469 1.00 1.15 H new ATOM 0 HB3 GLU A 84 -16.660 2.493 0.784 1.00 1.15 H new ATOM 0 HG2 GLU A 84 -18.903 3.569 0.999 1.00 1.57 H new ATOM 0 HG3 GLU A 84 -18.551 3.947 2.674 1.00 1.57 H new ATOM 1256 N ALA A 85 -18.364 -0.026 0.249 1.00 1.15 N ATOM 1257 CA ALA A 85 -19.178 -0.587 -0.797 1.00 1.34 C ATOM 1258 C ALA A 85 -19.706 -1.956 -0.360 1.00 1.47 C ATOM 1259 O ALA A 85 -20.907 -2.234 -0.472 1.00 1.86 O ATOM 1260 CB ALA A 85 -18.371 -0.708 -2.083 1.00 1.37 C ATOM 0 H ALA A 85 -17.407 -0.378 0.262 1.00 1.15 H new ATOM 0 HA ALA A 85 -20.025 0.072 -0.986 1.00 1.34 H new ATOM 0 HB1 ALA A 85 -18.997 -1.134 -2.867 1.00 1.37 H new ATOM 0 HB2 ALA A 85 -18.026 0.279 -2.390 1.00 1.37 H new ATOM 0 HB3 ALA A 85 -17.511 -1.356 -1.913 1.00 1.37 H new ATOM 1266 N ALA A 86 -18.813 -2.788 0.160 1.00 1.53 N ATOM 1267 CA ALA A 86 -19.153 -4.126 0.597 1.00 1.70 C ATOM 1268 C ALA A 86 -19.590 -4.129 2.054 1.00 2.36 C ATOM 1269 O ALA A 86 -20.804 -4.000 2.314 1.00 2.86 O ATOM 1270 CB ALA A 86 -17.978 -5.077 0.374 1.00 2.39 C ATOM 1271 OXT ALA A 86 -18.747 -4.241 2.947 1.00 3.03 O ATOM 0 H ALA A 86 -17.830 -2.548 0.289 1.00 1.53 H new ATOM 0 HA ALA A 86 -19.994 -4.478 -0.001 1.00 1.70 H new ATOM 0 HB1 ALA A 86 -18.251 -6.078 0.708 1.00 2.39 H new ATOM 0 HB2 ALA A 86 -17.728 -5.104 -0.687 1.00 2.39 H new ATOM 0 HB3 ALA A 86 -17.115 -4.728 0.941 1.00 2.39 H new TER 1277 ALA A 86 HETATM 1278 P24 SXR A 101 6.548 11.677 -4.928 1.00 1.19 P HETATM 1279 O26 SXR A 101 7.388 10.528 -5.529 1.00 1.72 O HETATM 1280 O23 SXR A 101 7.282 13.019 -4.677 1.00 1.83 O HETATM 1281 O27 SXR A 101 5.347 12.004 -5.904 1.00 1.31 O HETATM 1282 C28 SXR A 101 4.477 10.932 -6.461 1.00 1.24 C HETATM 1283 C29 SXR A 101 3.382 11.541 -7.332 1.00 1.82 C HETATM 1284 C30 SXR A 101 2.545 10.396 -7.856 1.00 2.42 C HETATM 1285 C31 SXR A 101 2.521 12.460 -6.468 1.00 1.85 C HETATM 1286 C32 SXR A 101 4.013 12.381 -8.531 1.00 2.74 C HETATM 1287 O33 SXR A 101 4.760 13.482 -7.991 1.00 3.00 O HETATM 1288 C34 SXR A 101 2.920 12.968 -9.434 1.00 3.44 C HETATM 1289 O35 SXR A 101 2.281 12.276 -10.227 1.00 3.88 O HETATM 1290 N36 SXR A 101 2.718 14.261 -9.288 1.00 3.90 N HETATM 1291 C37 SXR A 101 1.717 15.033 -10.032 1.00 4.60 C HETATM 1292 C38 SXR A 101 0.559 15.433 -9.114 1.00 4.73 C HETATM 1293 C39 SXR A 101 -0.185 14.220 -8.558 1.00 4.02 C HETATM 1294 O40 SXR A 101 -0.590 13.296 -9.297 1.00 4.42 O HETATM 1295 N41 SXR A 101 -0.353 14.231 -7.251 1.00 3.33 N HETATM 1296 C42 SXR A 101 -1.008 13.180 -6.495 1.00 2.88 C HETATM 1297 C43 SXR A 101 -1.411 13.655 -5.107 1.00 2.85 C HETATM 1298 S1 SXR A 101 -0.040 14.336 -4.289 1.00 3.15 S HETATM 1299 C11 SXR A 101 -1.169 8.323 -2.057 1.00 2.09 C HETATM 1300 C10 SXR A 101 -1.851 7.171 -2.452 1.00 2.05 C HETATM 1301 C9 SXR A 101 -2.074 6.149 -1.532 1.00 1.91 C HETATM 1302 C8 SXR A 101 -1.621 6.276 -0.223 1.00 2.19 C HETATM 1303 C7 SXR A 101 -0.940 7.431 0.168 1.00 2.18 C HETATM 1304 C6 SXR A 101 -0.705 8.468 -0.738 1.00 1.95 C HETATM 1305 C5 SXR A 101 0.027 9.710 -0.314 1.00 2.57 C HETATM 1306 C4 SXR A 101 -0.609 10.975 -0.841 1.00 2.29 C HETATM 1307 C3 SXR A 101 0.283 12.208 -0.843 1.00 2.88 C HETATM 1308 O3 SXR A 101 1.244 12.305 -0.059 1.00 3.69 O HETATM 1309 C2 SXR A 101 -0.028 13.319 -1.804 1.00 2.88 C HETATM 1310 C1 SXR A 101 0.347 13.025 -3.236 1.00 2.84 C