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 138:sc= 0.288 USER MOD Set 1.2: A 40 TYR OH : rot 39:sc= -0.387! USER MOD Set 1.3: A 48 THR OG1 : rot 61:sc= 1.56 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.034 (180deg=-0.336) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0254 (180deg=-0.216) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -85:sc= 1.25 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 21 THR OG1 : rot 24:sc= 0.836 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0995 USER MOD Single : A 27 SER OG : rot 126:sc= 1.23 USER MOD Single : A 46 MET CE :methyl 135:sc= -0.309 (180deg=-1.05) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 150:sc= -0.155 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -98:sc= 1.23 USER MOD Single : A 79 ASN : amide:sc= 0.722 K(o=0.72,f=0) USER MOD Single : A 87 PSR O33 : rot -128:sc= 0.258 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.164 7.265 2.376 1.00 3.26 N ATOM 2 CA MET A 1 19.712 8.331 1.494 1.00 3.05 C ATOM 3 C MET A 1 18.866 7.683 0.427 1.00 2.56 C ATOM 4 O MET A 1 19.403 7.069 -0.504 1.00 2.94 O ATOM 5 CB MET A 1 20.910 9.041 0.832 1.00 3.74 C ATOM 6 CG MET A 1 21.967 9.555 1.802 1.00 4.31 C ATOM 7 SD MET A 1 21.380 10.857 2.893 1.00 5.28 S ATOM 8 CE MET A 1 21.122 12.190 1.729 1.00 5.97 C ATOM 0 H1 MET A 1 20.624 7.678 3.212 1.00 3.26 H new ATOM 0 H2 MET A 1 19.349 6.693 2.676 1.00 3.26 H new ATOM 0 H3 MET A 1 20.843 6.661 1.871 1.00 3.26 H new ATOM 0 HA MET A 1 19.152 9.077 2.058 1.00 3.05 H new ATOM 0 HB2 MET A 1 21.383 8.350 0.135 1.00 3.74 H new ATOM 0 HB3 MET A 1 20.537 9.881 0.245 1.00 3.74 H new ATOM 0 HG2 MET A 1 22.327 8.723 2.406 1.00 4.31 H new ATOM 0 HG3 MET A 1 22.819 9.928 1.233 1.00 4.31 H new ATOM 0 HE1 MET A 1 21.035 13.133 2.269 1.00 5.97 H new ATOM 0 HE2 MET A 1 21.967 12.242 1.042 1.00 5.97 H new ATOM 0 HE3 MET A 1 20.207 12.009 1.166 1.00 5.97 H new ATOM 20 N ALA A 2 17.564 7.757 0.571 1.00 2.10 N ATOM 21 CA ALA A 2 16.672 7.096 -0.353 1.00 1.73 C ATOM 22 C ALA A 2 15.355 7.839 -0.465 1.00 1.51 C ATOM 23 O ALA A 2 15.059 8.720 0.349 1.00 1.50 O ATOM 24 CB ALA A 2 16.426 5.678 0.117 1.00 1.60 C ATOM 0 H ALA A 2 17.098 8.269 1.320 1.00 2.10 H new ATOM 0 HA ALA A 2 17.137 7.084 -1.339 1.00 1.73 H new ATOM 0 HB1 ALA A 2 15.753 5.176 -0.578 1.00 1.60 H new ATOM 0 HB2 ALA A 2 17.373 5.139 0.159 1.00 1.60 H new ATOM 0 HB3 ALA A 2 15.975 5.697 1.109 1.00 1.60 H new ATOM 30 N THR A 3 14.577 7.492 -1.463 1.00 1.47 N ATOM 31 CA THR A 3 13.293 8.080 -1.668 1.00 1.37 C ATOM 32 C THR A 3 12.262 7.240 -0.924 1.00 1.07 C ATOM 33 O THR A 3 11.939 6.122 -1.328 1.00 1.10 O ATOM 34 CB THR A 3 12.984 8.082 -3.166 1.00 1.63 C ATOM 35 OG1 THR A 3 14.013 8.807 -3.872 1.00 2.22 O ATOM 36 CG2 THR A 3 11.626 8.701 -3.466 1.00 2.02 C ATOM 0 H THR A 3 14.828 6.787 -2.156 1.00 1.47 H new ATOM 0 HA THR A 3 13.270 9.105 -1.298 1.00 1.37 H new ATOM 0 HB THR A 3 12.958 7.045 -3.501 1.00 1.63 H new ATOM 0 HG1 THR A 3 13.814 8.806 -4.832 1.00 2.22 H new ATOM 0 HG21 THR A 3 11.447 8.682 -4.541 1.00 2.02 H new ATOM 0 HG22 THR A 3 10.847 8.132 -2.958 1.00 2.02 H new ATOM 0 HG23 THR A 3 11.610 9.732 -3.114 1.00 2.02 H new ATOM 44 N LEU A 4 11.785 7.752 0.174 1.00 0.91 N ATOM 45 CA LEU A 4 10.857 7.021 0.986 1.00 0.65 C ATOM 46 C LEU A 4 9.447 7.498 0.756 1.00 0.63 C ATOM 47 O LEU A 4 9.219 8.637 0.316 1.00 0.84 O ATOM 48 CB LEU A 4 11.235 7.107 2.470 1.00 0.62 C ATOM 49 CG LEU A 4 12.591 6.491 2.842 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.851 6.624 4.329 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.648 5.033 2.425 1.00 0.51 C ATOM 0 H LEU A 4 12.025 8.678 0.528 1.00 0.91 H new ATOM 0 HA LEU A 4 10.907 5.973 0.691 1.00 0.65 H new ATOM 0 HB2 LEU A 4 11.238 8.156 2.766 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.458 6.613 3.054 1.00 0.62 H new ATOM 0 HG LEU A 4 13.369 7.035 2.306 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.817 6.181 4.570 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.856 7.679 4.605 1.00 0.80 H new ATOM 0 HD13 LEU A 4 12.067 6.108 4.883 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.617 4.614 2.697 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.858 4.479 2.931 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.510 4.957 1.346 1.00 0.51 H new ATOM 63 N LEU A 5 8.512 6.637 1.021 1.00 0.44 N ATOM 64 CA LEU A 5 7.124 6.955 0.856 1.00 0.40 C ATOM 65 C LEU A 5 6.595 7.459 2.163 1.00 0.35 C ATOM 66 O LEU A 5 6.851 6.852 3.204 1.00 0.41 O ATOM 67 CB LEU A 5 6.319 5.709 0.470 1.00 0.41 C ATOM 68 CG LEU A 5 6.749 4.956 -0.777 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.861 3.750 -0.982 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.706 5.850 -1.993 1.00 0.81 C ATOM 0 H LEU A 5 8.689 5.691 1.359 1.00 0.44 H new ATOM 0 HA LEU A 5 7.028 7.702 0.068 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.350 5.015 1.310 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.279 6.007 0.341 1.00 0.41 H new ATOM 0 HG LEU A 5 7.778 4.624 -0.640 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.175 3.215 -1.878 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.939 3.089 -0.119 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.827 4.075 -1.097 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.019 5.285 -2.871 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.690 6.216 -2.140 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.378 6.695 -1.847 1.00 0.81 H new ATOM 82 N THR A 6 5.898 8.539 2.127 1.00 0.37 N ATOM 83 CA THR A 6 5.252 9.030 3.293 1.00 0.42 C ATOM 84 C THR A 6 3.813 8.551 3.264 1.00 0.35 C ATOM 85 O THR A 6 3.416 7.824 2.325 1.00 0.34 O ATOM 86 CB THR A 6 5.263 10.578 3.345 1.00 0.59 C ATOM 87 OG1 THR A 6 4.594 11.108 2.181 1.00 0.65 O ATOM 88 CG2 THR A 6 6.675 11.113 3.383 1.00 0.72 C ATOM 0 H THR A 6 5.759 9.106 1.291 1.00 0.37 H new ATOM 0 HA THR A 6 5.782 8.662 4.171 1.00 0.42 H new ATOM 0 HB THR A 6 4.746 10.888 4.253 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.226 11.157 1.434 1.00 0.65 H new ATOM 0 HG21 THR A 6 6.651 12.202 3.419 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.185 10.732 4.268 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.210 10.792 2.489 1.00 0.72 H new ATOM 96 N THR A 7 3.043 8.945 4.252 1.00 0.40 N ATOM 97 CA THR A 7 1.632 8.683 4.291 1.00 0.43 C ATOM 98 C THR A 7 1.002 9.226 3.015 1.00 0.41 C ATOM 99 O THR A 7 0.273 8.526 2.343 1.00 0.43 O ATOM 100 CB THR A 7 1.005 9.354 5.529 1.00 0.58 C ATOM 101 OG1 THR A 7 1.691 8.892 6.702 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.478 9.014 5.646 1.00 0.66 C ATOM 0 H THR A 7 3.389 9.463 5.060 1.00 0.40 H new ATOM 0 HA THR A 7 1.453 7.610 4.359 1.00 0.43 H new ATOM 0 HB THR A 7 1.101 10.435 5.429 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.302 9.314 7.496 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.894 9.501 6.528 1.00 0.66 H new ATOM 0 HG22 THR A 7 -1.003 9.364 4.757 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.598 7.934 5.737 1.00 0.66 H new ATOM 110 N ASP A 8 1.323 10.474 2.683 1.00 0.44 N ATOM 111 CA ASP A 8 0.813 11.119 1.475 1.00 0.51 C ATOM 112 C ASP A 8 1.219 10.383 0.196 1.00 0.47 C ATOM 113 O ASP A 8 0.416 10.267 -0.737 1.00 0.52 O ATOM 114 CB ASP A 8 1.221 12.578 1.395 1.00 0.63 C ATOM 115 CG ASP A 8 0.595 13.266 0.206 1.00 1.46 C ATOM 116 OD1 ASP A 8 -0.635 13.437 0.175 1.00 1.63 O ATOM 117 OD2 ASP A 8 1.332 13.638 -0.734 1.00 2.38 O ATOM 0 H ASP A 8 1.941 11.064 3.240 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.273 11.071 1.551 1.00 0.51 H new ATOM 0 HB2 ASP A 8 0.924 13.090 2.310 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.307 12.650 1.328 1.00 0.63 H new ATOM 122 N ASP A 9 2.443 9.859 0.159 1.00 0.45 N ATOM 123 CA ASP A 9 2.916 9.090 -1.014 1.00 0.49 C ATOM 124 C ASP A 9 2.116 7.826 -1.147 1.00 0.47 C ATOM 125 O ASP A 9 1.659 7.477 -2.231 1.00 0.56 O ATOM 126 CB ASP A 9 4.394 8.693 -0.914 1.00 0.60 C ATOM 127 CG ASP A 9 5.369 9.826 -1.015 1.00 1.11 C ATOM 128 OD1 ASP A 9 5.709 10.223 -2.137 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.757 10.384 0.022 1.00 2.00 O ATOM 0 H ASP A 9 3.125 9.945 0.912 1.00 0.45 H new ATOM 0 HA ASP A 9 2.791 9.743 -1.878 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.553 8.182 0.036 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.614 7.974 -1.703 1.00 0.60 H new ATOM 134 N LEU A 10 1.930 7.155 -0.031 1.00 0.42 N ATOM 135 CA LEU A 10 1.171 5.925 0.016 1.00 0.44 C ATOM 136 C LEU A 10 -0.287 6.221 -0.325 1.00 0.42 C ATOM 137 O LEU A 10 -0.943 5.458 -1.024 1.00 0.50 O ATOM 138 CB LEU A 10 1.254 5.327 1.414 1.00 0.45 C ATOM 139 CG LEU A 10 0.660 3.938 1.584 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.504 2.893 0.874 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.485 3.604 3.046 1.00 0.80 C ATOM 0 H LEU A 10 2.302 7.448 0.872 1.00 0.42 H new ATOM 0 HA LEU A 10 1.580 5.216 -0.704 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.303 5.290 1.710 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.751 6.002 2.106 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.327 3.932 1.121 1.00 0.48 H new ATOM 0 HD11 LEU A 10 1.056 1.909 1.012 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.551 3.125 -0.190 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.511 2.895 1.290 1.00 0.66 H new ATOM 0 HD21 LEU A 10 0.059 2.606 3.143 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.454 3.635 3.545 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.184 4.330 3.508 1.00 0.80 H new ATOM 153 N ARG A 11 -0.758 7.356 0.175 1.00 0.40 N ATOM 154 CA ARG A 11 -2.106 7.853 -0.036 1.00 0.41 C ATOM 155 C ARG A 11 -2.427 7.904 -1.525 1.00 0.40 C ATOM 156 O ARG A 11 -3.503 7.521 -1.928 1.00 0.42 O ATOM 157 CB ARG A 11 -2.257 9.245 0.613 1.00 0.48 C ATOM 158 CG ARG A 11 -3.680 9.766 0.713 1.00 0.58 C ATOM 159 CD ARG A 11 -3.717 11.167 1.329 1.00 0.72 C ATOM 160 NE ARG A 11 -3.396 11.163 2.770 1.00 1.24 N ATOM 161 CZ ARG A 11 -2.488 11.957 3.374 1.00 1.74 C ATOM 162 NH1 ARG A 11 -1.779 12.830 2.674 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.325 11.893 4.682 1.00 2.57 N ATOM 0 H ARG A 11 -0.192 7.974 0.757 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.816 7.173 0.435 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.830 9.208 1.615 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.666 9.960 0.041 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.131 9.790 -0.279 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.278 9.084 1.318 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -3.009 11.809 0.805 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -4.707 11.598 1.182 1.00 0.72 H new ATOM 0 HE ARG A 11 -3.904 10.504 3.359 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -1.917 12.908 1.666 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -1.096 13.425 3.143 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -2.885 11.244 5.235 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -1.639 12.493 5.140 1.00 2.57 H new ATOM 177 N ARG A 12 -1.442 8.325 -2.329 1.00 0.43 N ATOM 178 CA ARG A 12 -1.584 8.411 -3.789 1.00 0.49 C ATOM 179 C ARG A 12 -1.979 7.047 -4.357 1.00 0.49 C ATOM 180 O ARG A 12 -2.932 6.939 -5.133 1.00 0.59 O ATOM 181 CB ARG A 12 -0.262 8.872 -4.443 1.00 0.64 C ATOM 182 CG ARG A 12 0.263 10.203 -3.931 1.00 0.85 C ATOM 183 CD ARG A 12 1.626 10.558 -4.525 1.00 1.00 C ATOM 184 NE ARG A 12 1.576 10.879 -5.965 1.00 1.77 N ATOM 185 CZ ARG A 12 2.653 11.197 -6.713 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.890 10.986 -6.246 1.00 2.51 N ATOM 187 NH2 ARG A 12 2.497 11.657 -7.950 1.00 3.48 N ATOM 0 H ARG A 12 -0.526 8.615 -1.987 1.00 0.43 H new ATOM 0 HA ARG A 12 -2.362 9.142 -4.012 1.00 0.49 H new ATOM 0 HB2 ARG A 12 0.497 8.108 -4.276 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.410 8.944 -5.520 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -0.452 10.990 -4.172 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.341 10.166 -2.844 1.00 0.85 H new ATOM 0 HD2 ARG A 12 2.038 11.411 -3.985 1.00 1.00 H new ATOM 0 HD3 ARG A 12 2.309 9.723 -4.371 1.00 1.00 H new ATOM 0 HE ARG A 12 0.666 10.859 -6.426 1.00 1.77 H new ATOM 0 HH11 ARG A 12 4.023 10.582 -5.319 1.00 2.51 H new ATOM 0 HH12 ARG A 12 4.699 11.229 -6.817 1.00 2.51 H new ATOM 0 HH21 ARG A 12 1.560 11.771 -8.337 1.00 3.48 H new ATOM 0 HH22 ARG A 12 3.314 11.896 -8.512 1.00 3.48 H new ATOM 201 N ALA A 13 -1.253 6.019 -3.931 1.00 0.50 N ATOM 202 CA ALA A 13 -1.473 4.647 -4.385 1.00 0.59 C ATOM 203 C ALA A 13 -2.791 4.071 -3.862 1.00 0.55 C ATOM 204 O ALA A 13 -3.546 3.437 -4.617 1.00 0.65 O ATOM 205 CB ALA A 13 -0.302 3.762 -3.989 1.00 0.70 C ATOM 0 H ALA A 13 -0.492 6.112 -3.258 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.544 4.671 -5.472 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.482 2.744 -4.335 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.612 4.143 -4.444 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.195 3.763 -2.904 1.00 0.70 H new ATOM 211 N LEU A 14 -3.067 4.298 -2.571 1.00 0.47 N ATOM 212 CA LEU A 14 -4.304 3.809 -1.950 1.00 0.48 C ATOM 213 C LEU A 14 -5.521 4.457 -2.552 1.00 0.53 C ATOM 214 O LEU A 14 -6.557 3.828 -2.681 1.00 0.70 O ATOM 215 CB LEU A 14 -4.313 3.959 -0.420 1.00 0.48 C ATOM 216 CG LEU A 14 -3.654 2.831 0.404 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.317 1.494 0.138 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.172 2.746 0.160 1.00 0.92 C ATOM 0 H LEU A 14 -2.454 4.814 -1.940 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.339 2.741 -2.163 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -3.815 4.896 -0.170 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.349 4.053 -0.096 1.00 0.48 H new ATOM 0 HG LEU A 14 -3.800 3.082 1.455 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.830 0.722 0.733 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.371 1.550 0.409 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.227 1.247 -0.920 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.750 1.939 0.760 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -1.988 2.548 -0.896 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -1.703 3.689 0.439 1.00 0.92 H new ATOM 230 N VAL A 15 -5.427 5.722 -2.865 1.00 0.49 N ATOM 231 CA VAL A 15 -6.473 6.361 -3.620 1.00 0.60 C ATOM 232 C VAL A 15 -6.567 5.683 -4.979 1.00 0.66 C ATOM 233 O VAL A 15 -7.523 5.032 -5.251 1.00 0.87 O ATOM 234 CB VAL A 15 -6.238 7.894 -3.786 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.282 8.512 -4.715 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.306 8.580 -2.437 1.00 0.84 C ATOM 0 H VAL A 15 -4.645 6.326 -2.612 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.410 6.254 -3.074 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.250 8.035 -4.223 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.094 9.581 -4.813 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.220 8.041 -5.696 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.277 8.355 -4.299 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.141 9.650 -2.564 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.288 8.415 -1.994 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.538 8.170 -1.781 1.00 0.84 H new ATOM 246 N GLU A 16 -5.480 5.744 -5.734 1.00 0.64 N ATOM 247 CA GLU A 16 -5.406 5.343 -7.154 1.00 0.77 C ATOM 248 C GLU A 16 -6.103 4.008 -7.472 1.00 0.70 C ATOM 249 O GLU A 16 -6.944 3.960 -8.361 1.00 0.81 O ATOM 250 CB GLU A 16 -3.945 5.237 -7.587 1.00 0.95 C ATOM 251 CG GLU A 16 -3.751 5.172 -9.087 1.00 1.63 C ATOM 252 CD GLU A 16 -4.148 6.465 -9.740 1.00 1.66 C ATOM 253 OE1 GLU A 16 -3.296 7.394 -9.784 1.00 1.92 O ATOM 254 OE2 GLU A 16 -5.318 6.608 -10.179 1.00 2.10 O ATOM 0 H GLU A 16 -4.588 6.084 -5.374 1.00 0.64 H new ATOM 0 HA GLU A 16 -5.936 6.120 -7.704 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.398 6.095 -7.197 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.506 4.347 -7.135 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.707 4.952 -9.313 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -4.345 4.356 -9.499 1.00 1.63 H new ATOM 261 N SER A 17 -5.806 2.964 -6.723 1.00 0.58 N ATOM 262 CA SER A 17 -6.331 1.621 -7.012 1.00 0.61 C ATOM 263 C SER A 17 -7.880 1.504 -6.818 1.00 0.69 C ATOM 264 O SER A 17 -8.489 0.481 -7.175 1.00 0.82 O ATOM 265 CB SER A 17 -5.579 0.602 -6.155 1.00 0.57 C ATOM 266 OG SER A 17 -4.171 0.835 -6.247 1.00 1.00 O ATOM 0 H SER A 17 -5.201 3.009 -5.903 1.00 0.58 H new ATOM 0 HA SER A 17 -6.162 1.415 -8.069 1.00 0.61 H new ATOM 0 HB2 SER A 17 -5.902 0.678 -5.117 1.00 0.57 H new ATOM 0 HB3 SER A 17 -5.812 -0.409 -6.488 1.00 0.57 H new ATOM 0 HG SER A 17 -3.766 0.743 -5.360 1.00 1.00 H new ATOM 272 N ALA A 18 -8.506 2.542 -6.284 1.00 0.78 N ATOM 273 CA ALA A 18 -9.948 2.559 -6.057 1.00 0.97 C ATOM 274 C ALA A 18 -10.463 3.976 -6.218 1.00 1.13 C ATOM 275 O ALA A 18 -11.614 4.276 -5.906 1.00 1.49 O ATOM 276 CB ALA A 18 -10.244 2.090 -4.642 1.00 1.11 C ATOM 0 H ALA A 18 -8.031 3.397 -5.995 1.00 0.78 H new ATOM 0 HA ALA A 18 -10.435 1.900 -6.776 1.00 0.97 H new ATOM 0 HB1 ALA A 18 -11.321 2.103 -4.472 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -9.867 1.076 -4.509 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -9.756 2.755 -3.929 1.00 1.11 H new ATOM 282 N GLY A 19 -9.630 4.812 -6.787 1.00 1.13 N ATOM 283 CA GLY A 19 -9.860 6.233 -6.771 1.00 1.48 C ATOM 284 C GLY A 19 -10.548 6.732 -7.966 1.00 1.60 C ATOM 285 O GLY A 19 -10.783 7.938 -8.085 1.00 2.02 O ATOM 0 H GLY A 19 -8.779 4.528 -7.271 1.00 1.13 H new ATOM 0 HA2 GLY A 19 -10.450 6.487 -5.890 1.00 1.48 H new ATOM 0 HA3 GLY A 19 -8.903 6.746 -6.672 1.00 1.48 H new ATOM 289 N GLU A 20 -10.865 5.840 -8.865 1.00 2.22 N ATOM 290 CA GLU A 20 -11.595 6.199 -10.026 1.00 3.33 C ATOM 291 C GLU A 20 -13.006 6.598 -9.613 1.00 3.66 C ATOM 292 O GLU A 20 -13.845 5.769 -9.247 1.00 4.35 O ATOM 293 CB GLU A 20 -11.523 5.105 -11.089 1.00 4.13 C ATOM 294 CG GLU A 20 -12.048 3.736 -10.697 1.00 5.10 C ATOM 295 CD GLU A 20 -11.823 2.741 -11.804 1.00 5.65 C ATOM 296 OE1 GLU A 20 -12.598 2.742 -12.772 1.00 5.97 O ATOM 297 OE2 GLU A 20 -10.824 1.977 -11.745 1.00 6.03 O ATOM 0 H GLU A 20 -10.621 4.852 -8.804 1.00 2.22 H new ATOM 0 HA GLU A 20 -11.148 7.068 -10.510 1.00 3.33 H new ATOM 0 HB2 GLU A 20 -12.078 5.444 -11.964 1.00 4.13 H new ATOM 0 HB3 GLU A 20 -10.482 4.995 -11.394 1.00 4.13 H new ATOM 0 HG2 GLU A 20 -11.549 3.396 -9.789 1.00 5.10 H new ATOM 0 HG3 GLU A 20 -13.112 3.801 -10.471 1.00 5.10 H new ATOM 304 N THR A 21 -13.218 7.895 -9.605 1.00 3.56 N ATOM 305 CA THR A 21 -14.405 8.533 -9.078 1.00 4.12 C ATOM 306 C THR A 21 -14.668 8.203 -7.608 1.00 3.91 C ATOM 307 O THR A 21 -15.805 7.974 -7.197 1.00 4.42 O ATOM 308 CB THR A 21 -15.674 8.404 -9.971 1.00 4.95 C ATOM 309 OG1 THR A 21 -15.848 7.061 -10.478 1.00 5.36 O ATOM 310 CG2 THR A 21 -15.596 9.393 -11.105 1.00 5.71 C ATOM 0 H THR A 21 -12.542 8.561 -9.980 1.00 3.56 H new ATOM 0 HA THR A 21 -14.166 9.596 -9.112 1.00 4.12 H new ATOM 0 HB THR A 21 -16.544 8.625 -9.353 1.00 4.95 H new ATOM 0 HG1 THR A 21 -15.396 6.426 -9.884 1.00 5.36 H new ATOM 0 HG21 THR A 21 -16.485 9.302 -11.729 1.00 5.71 H new ATOM 0 HG22 THR A 21 -15.538 10.404 -10.702 1.00 5.71 H new ATOM 0 HG23 THR A 21 -14.709 9.190 -11.705 1.00 5.71 H new ATOM 318 N ASP A 22 -13.597 8.174 -6.821 1.00 3.55 N ATOM 319 CA ASP A 22 -13.734 8.000 -5.387 1.00 3.80 C ATOM 320 C ASP A 22 -13.694 9.342 -4.764 1.00 3.75 C ATOM 321 O ASP A 22 -12.731 10.095 -4.973 1.00 4.22 O ATOM 322 CB ASP A 22 -12.630 7.137 -4.746 1.00 4.39 C ATOM 323 CG ASP A 22 -12.915 6.894 -3.257 1.00 4.93 C ATOM 324 OD1 ASP A 22 -13.775 6.028 -2.898 1.00 5.42 O ATOM 325 OD2 ASP A 22 -12.250 7.554 -2.420 1.00 5.23 O ATOM 0 H ASP A 22 -12.637 8.268 -7.151 1.00 3.55 H new ATOM 0 HA ASP A 22 -14.675 7.476 -5.217 1.00 3.80 H new ATOM 0 HB2 ASP A 22 -12.562 6.182 -5.267 1.00 4.39 H new ATOM 0 HB3 ASP A 22 -11.665 7.632 -4.859 1.00 4.39 H new ATOM 330 N GLY A 23 -14.730 9.670 -4.064 1.00 3.52 N ATOM 331 CA GLY A 23 -14.781 10.929 -3.379 1.00 3.84 C ATOM 332 C GLY A 23 -13.806 10.948 -2.227 1.00 3.68 C ATOM 333 O GLY A 23 -12.709 11.503 -2.319 1.00 3.96 O ATOM 0 H GLY A 23 -15.557 9.085 -3.948 1.00 3.52 H new ATOM 0 HA2 GLY A 23 -14.548 11.736 -4.073 1.00 3.84 H new ATOM 0 HA3 GLY A 23 -15.791 11.108 -3.010 1.00 3.84 H new ATOM 337 N THR A 24 -14.192 10.356 -1.148 1.00 3.64 N ATOM 338 CA THR A 24 -13.363 10.268 0.013 1.00 3.82 C ATOM 339 C THR A 24 -13.734 9.002 0.806 1.00 3.09 C ATOM 340 O THR A 24 -14.427 9.070 1.822 1.00 3.70 O ATOM 341 CB THR A 24 -13.525 11.556 0.894 1.00 5.01 C ATOM 342 OG1 THR A 24 -13.191 12.731 0.115 1.00 5.50 O ATOM 343 CG2 THR A 24 -12.634 11.518 2.130 1.00 5.84 C ATOM 0 H THR A 24 -15.104 9.912 -1.043 1.00 3.64 H new ATOM 0 HA THR A 24 -12.317 10.200 -0.286 1.00 3.82 H new ATOM 0 HB THR A 24 -14.564 11.595 1.220 1.00 5.01 H new ATOM 0 HG1 THR A 24 -13.296 13.532 0.670 1.00 5.50 H new ATOM 0 HG21 THR A 24 -12.778 12.429 2.711 1.00 5.84 H new ATOM 0 HG22 THR A 24 -12.895 10.653 2.740 1.00 5.84 H new ATOM 0 HG23 THR A 24 -11.590 11.444 1.824 1.00 5.84 H new ATOM 351 N ASP A 25 -13.388 7.840 0.272 1.00 2.19 N ATOM 352 CA ASP A 25 -13.658 6.604 1.003 1.00 1.95 C ATOM 353 C ASP A 25 -12.450 6.326 1.887 1.00 1.67 C ATOM 354 O ASP A 25 -12.524 6.370 3.116 1.00 2.10 O ATOM 355 CB ASP A 25 -13.897 5.444 0.038 1.00 2.07 C ATOM 356 CG ASP A 25 -14.672 4.292 0.648 1.00 2.73 C ATOM 357 OD1 ASP A 25 -14.377 3.865 1.776 1.00 3.29 O ATOM 358 OD2 ASP A 25 -15.640 3.812 -0.010 1.00 3.15 O ATOM 0 H ASP A 25 -12.935 7.723 -0.634 1.00 2.19 H new ATOM 0 HA ASP A 25 -14.559 6.709 1.607 1.00 1.95 H new ATOM 0 HB2 ASP A 25 -14.438 5.813 -0.833 1.00 2.07 H new ATOM 0 HB3 ASP A 25 -12.935 5.075 -0.318 1.00 2.07 H new ATOM 363 N LEU A 26 -11.321 6.102 1.251 1.00 1.31 N ATOM 364 CA LEU A 26 -10.061 5.935 1.969 1.00 1.13 C ATOM 365 C LEU A 26 -9.149 7.096 1.635 1.00 1.22 C ATOM 366 O LEU A 26 -8.105 7.290 2.242 1.00 1.82 O ATOM 367 CB LEU A 26 -9.350 4.606 1.646 1.00 1.09 C ATOM 368 CG LEU A 26 -8.602 4.459 0.298 1.00 0.75 C ATOM 369 CD1 LEU A 26 -7.807 3.182 0.311 1.00 1.61 C ATOM 370 CD2 LEU A 26 -9.537 4.461 -0.910 1.00 1.49 C ATOM 0 H LEU A 26 -11.242 6.030 0.237 1.00 1.31 H new ATOM 0 HA LEU A 26 -10.293 5.913 3.034 1.00 1.13 H new ATOM 0 HB2 LEU A 26 -8.631 4.416 2.443 1.00 1.09 H new ATOM 0 HB3 LEU A 26 -10.097 3.814 1.695 1.00 1.09 H new ATOM 0 HG LEU A 26 -7.949 5.326 0.196 1.00 0.75 H new ATOM 0 HD11 LEU A 26 -7.278 3.073 -0.636 1.00 1.61 H new ATOM 0 HD12 LEU A 26 -7.086 3.210 1.128 1.00 1.61 H new ATOM 0 HD13 LEU A 26 -8.480 2.336 0.450 1.00 1.61 H new ATOM 0 HD21 LEU A 26 -8.952 4.355 -1.823 1.00 1.49 H new ATOM 0 HD22 LEU A 26 -10.237 3.630 -0.829 1.00 1.49 H new ATOM 0 HD23 LEU A 26 -10.090 5.400 -0.941 1.00 1.49 H new ATOM 382 N SER A 27 -9.551 7.830 0.631 1.00 1.09 N ATOM 383 CA SER A 27 -8.871 9.004 0.177 1.00 1.16 C ATOM 384 C SER A 27 -8.750 10.009 1.315 1.00 1.19 C ATOM 385 O SER A 27 -9.751 10.536 1.807 1.00 1.88 O ATOM 386 CB SER A 27 -9.652 9.581 -0.971 1.00 1.49 C ATOM 387 OG SER A 27 -9.856 8.584 -1.976 1.00 1.72 O ATOM 0 H SER A 27 -10.390 7.616 0.092 1.00 1.09 H new ATOM 0 HA SER A 27 -7.862 8.758 -0.155 1.00 1.16 H new ATOM 0 HB2 SER A 27 -10.613 9.953 -0.617 1.00 1.49 H new ATOM 0 HB3 SER A 27 -9.117 10.431 -1.394 1.00 1.49 H new ATOM 0 HG SER A 27 -10.813 8.508 -2.172 1.00 1.72 H new ATOM 393 N GLY A 28 -7.551 10.227 1.764 1.00 0.90 N ATOM 394 CA GLY A 28 -7.330 11.096 2.875 1.00 1.11 C ATOM 395 C GLY A 28 -6.781 10.315 4.038 1.00 0.86 C ATOM 396 O GLY A 28 -5.592 9.974 4.048 1.00 1.32 O ATOM 0 H GLY A 28 -6.706 9.810 1.373 1.00 0.90 H new ATOM 0 HA2 GLY A 28 -6.633 11.887 2.596 1.00 1.11 H new ATOM 0 HA3 GLY A 28 -8.264 11.580 3.160 1.00 1.11 H new ATOM 400 N ASP A 29 -7.631 9.999 4.990 1.00 0.68 N ATOM 401 CA ASP A 29 -7.224 9.215 6.151 1.00 0.75 C ATOM 402 C ASP A 29 -7.618 7.763 5.935 1.00 0.61 C ATOM 403 O ASP A 29 -8.791 7.455 5.661 1.00 0.71 O ATOM 404 CB ASP A 29 -7.850 9.748 7.446 1.00 1.18 C ATOM 405 CG ASP A 29 -7.281 9.087 8.699 1.00 1.63 C ATOM 406 OD1 ASP A 29 -7.751 8.012 9.101 1.00 2.17 O ATOM 407 OD2 ASP A 29 -6.354 9.666 9.323 1.00 2.14 O ATOM 0 H ASP A 29 -8.614 10.271 4.989 1.00 0.68 H new ATOM 0 HA ASP A 29 -6.142 9.296 6.258 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -7.689 10.824 7.505 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -8.928 9.588 7.415 1.00 1.18 H new ATOM 412 N PHE A 30 -6.642 6.900 6.019 1.00 0.48 N ATOM 413 CA PHE A 30 -6.815 5.463 5.769 1.00 0.41 C ATOM 414 C PHE A 30 -5.686 4.658 6.451 1.00 0.34 C ATOM 415 O PHE A 30 -5.850 3.478 6.749 1.00 0.34 O ATOM 416 CB PHE A 30 -6.747 5.195 4.231 1.00 0.47 C ATOM 417 CG PHE A 30 -5.387 5.499 3.652 1.00 0.39 C ATOM 418 CD1 PHE A 30 -5.029 6.792 3.351 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.453 4.496 3.471 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.782 7.078 2.877 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.196 4.784 3.006 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.859 6.076 2.707 1.00 0.60 C ATOM 0 H PHE A 30 -5.687 7.161 6.265 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.779 5.154 6.172 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.997 4.152 4.036 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.498 5.803 3.726 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.743 7.590 3.491 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.717 3.474 3.699 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.520 8.097 2.634 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.473 3.992 2.876 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.870 6.307 2.339 1.00 0.60 H new ATOM 432 N LEU A 31 -4.552 5.345 6.696 1.00 0.36 N ATOM 433 CA LEU A 31 -3.273 4.758 7.115 1.00 0.36 C ATOM 434 C LEU A 31 -3.358 3.743 8.263 1.00 0.35 C ATOM 435 O LEU A 31 -2.659 2.721 8.240 1.00 0.37 O ATOM 436 CB LEU A 31 -2.278 5.865 7.461 1.00 0.44 C ATOM 437 CG LEU A 31 -0.839 5.414 7.718 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.168 5.000 6.422 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.043 6.491 8.426 1.00 0.64 C ATOM 0 H LEU A 31 -4.505 6.360 6.603 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.930 4.181 6.256 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.271 6.589 6.646 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.638 6.387 8.347 1.00 0.44 H new ATOM 0 HG LEU A 31 -0.871 4.545 8.376 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.854 4.683 6.627 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.721 4.175 5.973 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.155 5.845 5.733 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.975 6.140 8.594 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.020 7.390 7.810 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.511 6.719 9.384 1.00 0.64 H new ATOM 451 N ASP A 32 -4.165 4.003 9.253 1.00 0.38 N ATOM 452 CA ASP A 32 -4.225 3.093 10.386 1.00 0.45 C ATOM 453 C ASP A 32 -5.487 2.278 10.431 1.00 0.41 C ATOM 454 O ASP A 32 -5.715 1.535 11.386 1.00 0.47 O ATOM 455 CB ASP A 32 -3.973 3.806 11.715 1.00 0.64 C ATOM 456 CG ASP A 32 -2.533 4.222 11.870 1.00 1.55 C ATOM 457 OD1 ASP A 32 -1.665 3.367 12.126 1.00 2.06 O ATOM 458 OD2 ASP A 32 -2.238 5.433 11.756 1.00 2.29 O ATOM 0 H ASP A 32 -4.781 4.814 9.310 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.410 2.386 10.232 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -4.613 4.686 11.781 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -4.250 3.147 12.538 1.00 0.64 H new ATOM 463 N LEU A 33 -6.299 2.380 9.408 1.00 0.41 N ATOM 464 CA LEU A 33 -7.534 1.619 9.359 1.00 0.45 C ATOM 465 C LEU A 33 -7.309 0.274 8.715 1.00 0.44 C ATOM 466 O LEU A 33 -6.243 0.005 8.168 1.00 0.56 O ATOM 467 CB LEU A 33 -8.679 2.360 8.632 1.00 0.51 C ATOM 468 CG LEU A 33 -9.233 3.630 9.287 1.00 0.85 C ATOM 469 CD1 LEU A 33 -9.561 3.406 10.750 1.00 1.65 C ATOM 470 CD2 LEU A 33 -8.310 4.802 9.103 1.00 1.61 C ATOM 0 H LEU A 33 -6.133 2.978 8.599 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.845 1.485 10.395 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.328 2.623 7.634 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.505 1.660 8.506 1.00 0.51 H new ATOM 0 HG LEU A 33 -10.165 3.872 8.777 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -9.951 4.328 11.181 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -10.310 2.619 10.839 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -8.658 3.110 11.284 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -8.739 5.682 9.582 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -7.343 4.578 9.555 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -8.177 4.997 8.039 1.00 1.61 H new ATOM 482 N ARG A 34 -8.304 -0.560 8.777 1.00 0.45 N ATOM 483 CA ARG A 34 -8.251 -1.861 8.162 1.00 0.50 C ATOM 484 C ARG A 34 -8.452 -1.733 6.681 1.00 0.45 C ATOM 485 O ARG A 34 -9.242 -0.920 6.239 1.00 0.54 O ATOM 486 CB ARG A 34 -9.317 -2.782 8.759 1.00 0.71 C ATOM 487 CG ARG A 34 -9.080 -3.134 10.203 1.00 1.08 C ATOM 488 CD ARG A 34 -7.848 -3.996 10.346 1.00 1.18 C ATOM 489 NE ARG A 34 -7.375 -4.084 11.725 1.00 1.90 N ATOM 490 CZ ARG A 34 -6.379 -4.878 12.106 1.00 2.49 C ATOM 491 NH1 ARG A 34 -5.933 -5.820 11.279 1.00 2.61 N ATOM 492 NH2 ARG A 34 -5.857 -4.761 13.314 1.00 3.35 N ATOM 0 H ARG A 34 -9.181 -0.360 9.257 1.00 0.45 H new ATOM 0 HA ARG A 34 -7.271 -2.298 8.354 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -10.291 -2.301 8.668 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -9.359 -3.700 8.174 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -8.963 -2.223 10.790 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -9.947 -3.661 10.601 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -8.067 -4.998 9.977 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -7.053 -3.592 9.719 1.00 1.18 H new ATOM 0 HE ARG A 34 -7.832 -3.507 12.431 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -6.355 -5.931 10.357 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -5.169 -6.431 11.567 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -6.218 -4.059 13.960 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -5.093 -5.373 13.601 1.00 3.35 H new ATOM 506 N PHE A 35 -7.711 -2.508 5.928 1.00 0.40 N ATOM 507 CA PHE A 35 -7.834 -2.558 4.478 1.00 0.40 C ATOM 508 C PHE A 35 -9.286 -2.818 4.048 1.00 0.46 C ATOM 509 O PHE A 35 -9.833 -2.143 3.184 1.00 0.49 O ATOM 510 CB PHE A 35 -6.889 -3.606 3.907 1.00 0.39 C ATOM 511 CG PHE A 35 -5.449 -3.248 4.049 1.00 0.35 C ATOM 512 CD1 PHE A 35 -4.902 -2.234 3.298 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.646 -3.918 4.950 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.585 -1.894 3.441 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.321 -3.578 5.101 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.773 -2.607 4.280 1.00 0.48 C ATOM 0 H PHE A 35 -6.995 -3.132 6.301 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.551 -1.585 4.075 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -7.070 -4.558 4.407 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.117 -3.752 2.851 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.518 -1.701 2.589 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.062 -4.718 5.543 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.184 -1.058 2.888 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.715 -4.063 5.852 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.711 -2.414 4.302 1.00 0.48 H new ATOM 526 N GLU A 36 -9.897 -3.781 4.673 1.00 0.58 N ATOM 527 CA GLU A 36 -11.296 -4.100 4.451 1.00 0.74 C ATOM 528 C GLU A 36 -12.213 -2.905 4.775 1.00 0.75 C ATOM 529 O GLU A 36 -13.248 -2.689 4.146 1.00 0.84 O ATOM 530 CB GLU A 36 -11.717 -5.394 5.196 1.00 0.92 C ATOM 531 CG GLU A 36 -11.201 -5.567 6.641 1.00 1.14 C ATOM 532 CD GLU A 36 -9.743 -6.018 6.716 1.00 1.56 C ATOM 533 OE1 GLU A 36 -8.828 -5.168 6.654 1.00 2.26 O ATOM 534 OE2 GLU A 36 -9.484 -7.226 6.846 1.00 1.93 O ATOM 0 H GLU A 36 -9.442 -4.380 5.361 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.418 -4.303 3.387 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -12.806 -5.434 5.218 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -11.378 -6.248 4.610 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -11.309 -4.622 7.173 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -11.826 -6.296 7.157 1.00 1.14 H new ATOM 541 N ASP A 37 -11.776 -2.106 5.717 1.00 0.70 N ATOM 542 CA ASP A 37 -12.521 -0.925 6.172 1.00 0.77 C ATOM 543 C ASP A 37 -12.208 0.331 5.324 1.00 0.71 C ATOM 544 O ASP A 37 -12.940 1.322 5.359 1.00 0.80 O ATOM 545 CB ASP A 37 -12.246 -0.663 7.659 1.00 0.85 C ATOM 546 CG ASP A 37 -12.971 0.551 8.205 1.00 1.48 C ATOM 547 OD1 ASP A 37 -14.224 0.586 8.148 1.00 1.64 O ATOM 548 OD2 ASP A 37 -12.300 1.497 8.658 1.00 2.27 O ATOM 0 H ASP A 37 -10.889 -2.245 6.202 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.582 -1.138 6.039 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -12.540 -1.541 8.235 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -11.174 -0.531 7.804 1.00 0.85 H new ATOM 553 N ILE A 38 -11.162 0.272 4.518 1.00 0.62 N ATOM 554 CA ILE A 38 -10.806 1.411 3.667 1.00 0.65 C ATOM 555 C ILE A 38 -11.367 1.221 2.264 1.00 0.69 C ATOM 556 O ILE A 38 -10.914 1.826 1.304 1.00 0.75 O ATOM 557 CB ILE A 38 -9.265 1.701 3.600 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.492 0.505 3.015 1.00 0.53 C ATOM 559 CG2 ILE A 38 -8.733 2.081 4.973 1.00 0.67 C ATOM 560 CD1 ILE A 38 -6.990 0.691 2.888 1.00 0.56 C ATOM 0 H ILE A 38 -10.547 -0.537 4.430 1.00 0.62 H new ATOM 0 HA ILE A 38 -11.258 2.286 4.135 1.00 0.65 H new ATOM 0 HB ILE A 38 -9.111 2.546 2.929 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.680 -0.367 3.641 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -8.897 0.282 2.028 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -7.663 2.278 4.907 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -9.246 2.975 5.327 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -8.908 1.262 5.671 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.546 -0.211 2.466 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -6.782 1.538 2.234 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -6.562 0.879 3.873 1.00 0.56 H new ATOM 572 N GLY A 39 -12.405 0.411 2.184 1.00 0.72 N ATOM 573 CA GLY A 39 -13.086 0.180 0.938 1.00 0.81 C ATOM 574 C GLY A 39 -12.300 -0.703 0.015 1.00 0.67 C ATOM 575 O GLY A 39 -12.438 -0.616 -1.207 1.00 0.72 O ATOM 0 H GLY A 39 -12.793 -0.099 2.978 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -14.056 -0.277 1.136 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.277 1.135 0.448 1.00 0.81 H new ATOM 579 N TYR A 40 -11.464 -1.543 0.580 1.00 0.57 N ATOM 580 CA TYR A 40 -10.673 -2.428 -0.213 1.00 0.54 C ATOM 581 C TYR A 40 -11.219 -3.821 -0.309 1.00 0.64 C ATOM 582 O TYR A 40 -11.505 -4.483 0.694 1.00 0.79 O ATOM 583 CB TYR A 40 -9.183 -2.377 0.121 1.00 0.55 C ATOM 584 CG TYR A 40 -8.446 -1.350 -0.701 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.102 -0.255 -1.247 1.00 0.71 C ATOM 586 CD2 TYR A 40 -7.120 -1.511 -0.991 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.443 0.637 -2.049 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.457 -0.631 -1.805 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.121 0.440 -2.327 1.00 0.89 C ATOM 590 OH TYR A 40 -6.469 1.290 -3.162 1.00 1.12 O ATOM 0 H TYR A 40 -11.321 -1.625 1.587 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.754 -2.034 -1.226 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -9.058 -2.149 1.180 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.741 -3.359 -0.048 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -10.150 -0.104 -1.035 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.584 -2.349 -0.570 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -8.964 1.490 -2.458 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.412 -0.785 -2.033 1.00 0.82 H new ATOM 0 HH TYR A 40 -6.769 2.208 -2.994 1.00 1.12 H new ATOM 600 N ASP A 41 -11.385 -4.225 -1.537 1.00 0.68 N ATOM 601 CA ASP A 41 -11.897 -5.524 -1.913 1.00 0.90 C ATOM 602 C ASP A 41 -10.779 -6.569 -1.961 1.00 1.04 C ATOM 603 O ASP A 41 -10.771 -7.482 -1.128 1.00 1.93 O ATOM 604 CB ASP A 41 -12.643 -5.392 -3.250 1.00 1.00 C ATOM 605 CG ASP A 41 -12.873 -6.687 -3.985 1.00 1.48 C ATOM 606 OD1 ASP A 41 -13.529 -7.581 -3.404 1.00 2.00 O ATOM 607 OD2 ASP A 41 -12.371 -6.856 -5.108 1.00 2.20 O ATOM 0 H ASP A 41 -11.160 -3.638 -2.340 1.00 0.68 H new ATOM 0 HA ASP A 41 -12.600 -5.878 -1.160 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -13.608 -4.921 -3.064 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -12.080 -4.720 -3.898 1.00 1.00 H new ATOM 612 N SER A 42 -9.795 -6.385 -2.863 1.00 0.72 N ATOM 613 CA SER A 42 -8.658 -7.319 -2.988 1.00 0.68 C ATOM 614 C SER A 42 -7.716 -6.901 -4.124 1.00 0.54 C ATOM 615 O SER A 42 -6.514 -6.676 -3.900 1.00 0.51 O ATOM 616 CB SER A 42 -9.157 -8.744 -3.240 1.00 0.82 C ATOM 617 OG SER A 42 -9.964 -8.797 -4.464 1.00 0.86 O ATOM 0 H SER A 42 -9.764 -5.601 -3.514 1.00 0.72 H new ATOM 0 HA SER A 42 -8.106 -7.289 -2.048 1.00 0.68 H new ATOM 0 HB2 SER A 42 -8.308 -9.423 -3.327 1.00 0.82 H new ATOM 0 HB3 SER A 42 -9.751 -9.083 -2.391 1.00 0.82 H new ATOM 622 N LEU A 43 -8.260 -6.781 -5.328 1.00 0.52 N ATOM 623 CA LEU A 43 -7.501 -6.339 -6.494 1.00 0.48 C ATOM 624 C LEU A 43 -6.907 -4.978 -6.246 1.00 0.39 C ATOM 625 O LEU A 43 -5.738 -4.763 -6.495 1.00 0.37 O ATOM 626 CB LEU A 43 -8.370 -6.325 -7.760 1.00 0.64 C ATOM 627 CG LEU A 43 -7.774 -5.625 -9.003 1.00 0.83 C ATOM 628 CD1 LEU A 43 -6.436 -6.233 -9.417 1.00 1.64 C ATOM 629 CD2 LEU A 43 -8.761 -5.662 -10.152 1.00 1.57 C ATOM 0 H LEU A 43 -9.239 -6.987 -5.525 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.693 -7.052 -6.657 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -8.599 -7.357 -8.027 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.316 -5.841 -7.518 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.583 -4.586 -8.735 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -6.055 -5.710 -10.294 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -5.723 -6.136 -8.598 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -6.574 -7.288 -9.655 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -8.328 -5.165 -11.020 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -8.989 -6.698 -10.403 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -9.678 -5.149 -9.861 1.00 1.57 H new ATOM 641 N ALA A 44 -7.698 -4.096 -5.691 1.00 0.41 N ATOM 642 CA ALA A 44 -7.245 -2.762 -5.382 1.00 0.39 C ATOM 643 C ALA A 44 -6.086 -2.805 -4.390 1.00 0.34 C ATOM 644 O ALA A 44 -5.112 -2.073 -4.529 1.00 0.35 O ATOM 645 CB ALA A 44 -8.392 -1.938 -4.833 1.00 0.49 C ATOM 0 H ALA A 44 -8.670 -4.280 -5.441 1.00 0.41 H new ATOM 0 HA ALA A 44 -6.887 -2.292 -6.298 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.040 -0.932 -4.603 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.188 -1.883 -5.575 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.774 -2.405 -3.925 1.00 0.49 H new ATOM 651 N LEU A 45 -6.172 -3.703 -3.422 1.00 0.37 N ATOM 652 CA LEU A 45 -5.143 -3.834 -2.401 1.00 0.42 C ATOM 653 C LEU A 45 -3.829 -4.289 -3.023 1.00 0.39 C ATOM 654 O LEU A 45 -2.775 -3.675 -2.810 1.00 0.43 O ATOM 655 CB LEU A 45 -5.633 -4.775 -1.252 1.00 0.54 C ATOM 656 CG LEU A 45 -4.708 -4.979 -0.021 1.00 0.57 C ATOM 657 CD1 LEU A 45 -3.614 -5.997 -0.279 1.00 0.75 C ATOM 658 CD2 LEU A 45 -4.073 -3.676 0.371 1.00 0.94 C ATOM 0 H LEU A 45 -6.949 -4.356 -3.321 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.953 -2.860 -1.950 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -6.587 -4.390 -0.891 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -5.829 -5.755 -1.686 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.338 -5.355 0.785 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -2.996 -6.101 0.613 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -4.063 -6.959 -0.524 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -2.995 -5.663 -1.112 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.427 -3.832 1.235 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -3.481 -3.295 -0.461 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -4.850 -2.954 0.624 1.00 0.94 H new ATOM 670 N MET A 46 -3.903 -5.321 -3.823 1.00 0.36 N ATOM 671 CA MET A 46 -2.712 -5.877 -4.444 1.00 0.41 C ATOM 672 C MET A 46 -2.137 -4.911 -5.469 1.00 0.39 C ATOM 673 O MET A 46 -0.921 -4.788 -5.586 1.00 0.49 O ATOM 674 CB MET A 46 -3.004 -7.258 -5.069 1.00 0.43 C ATOM 675 CG MET A 46 -3.901 -7.239 -6.295 1.00 0.34 C ATOM 676 SD MET A 46 -3.011 -6.975 -7.852 1.00 0.73 S ATOM 677 CE MET A 46 -1.944 -8.415 -7.882 1.00 1.38 C ATOM 0 H MET A 46 -4.771 -5.799 -4.064 1.00 0.36 H new ATOM 0 HA MET A 46 -1.961 -6.023 -3.668 1.00 0.41 H new ATOM 0 HB2 MET A 46 -2.056 -7.724 -5.340 1.00 0.43 H new ATOM 0 HB3 MET A 46 -3.465 -7.891 -4.311 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.441 -8.184 -6.352 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.646 -6.452 -6.176 1.00 0.34 H new ATOM 0 HE1 MET A 46 -1.960 -8.859 -8.877 1.00 1.38 H new ATOM 0 HE2 MET A 46 -0.925 -8.118 -7.633 1.00 1.38 H new ATOM 0 HE3 MET A 46 -2.297 -9.145 -7.153 1.00 1.38 H new ATOM 687 N GLU A 47 -3.021 -4.190 -6.160 1.00 0.31 N ATOM 688 CA GLU A 47 -2.638 -3.262 -7.202 1.00 0.37 C ATOM 689 C GLU A 47 -1.932 -2.050 -6.600 1.00 0.34 C ATOM 690 O GLU A 47 -1.063 -1.452 -7.228 1.00 0.38 O ATOM 691 CB GLU A 47 -3.867 -2.848 -8.008 1.00 0.44 C ATOM 692 CG GLU A 47 -3.555 -2.010 -9.212 1.00 0.62 C ATOM 693 CD GLU A 47 -4.776 -1.579 -9.958 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.470 -0.645 -9.503 1.00 1.76 O ATOM 695 OE2 GLU A 47 -5.034 -2.113 -11.043 1.00 1.45 O ATOM 0 H GLU A 47 -4.028 -4.241 -6.004 1.00 0.31 H new ATOM 0 HA GLU A 47 -1.938 -3.751 -7.879 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.396 -3.745 -8.330 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.545 -2.294 -7.358 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -2.997 -1.127 -8.898 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -2.907 -2.575 -9.882 1.00 0.62 H new ATOM 702 N THR A 48 -2.296 -1.714 -5.374 1.00 0.32 N ATOM 703 CA THR A 48 -1.644 -0.648 -4.642 1.00 0.33 C ATOM 704 C THR A 48 -0.172 -1.002 -4.457 1.00 0.32 C ATOM 705 O THR A 48 0.724 -0.224 -4.834 1.00 0.35 O ATOM 706 CB THR A 48 -2.314 -0.469 -3.270 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.666 -0.056 -3.454 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.579 0.560 -2.434 1.00 0.41 C ATOM 0 H THR A 48 -3.050 -2.172 -4.862 1.00 0.32 H new ATOM 0 HA THR A 48 -1.731 0.285 -5.199 1.00 0.33 H new ATOM 0 HB THR A 48 -2.283 -1.423 -2.744 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.151 -0.741 -3.959 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.075 0.666 -1.469 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.550 0.235 -2.280 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.583 1.519 -2.951 1.00 0.41 H new ATOM 716 N ALA A 49 0.067 -2.182 -3.885 1.00 0.32 N ATOM 717 CA ALA A 49 1.412 -2.673 -3.696 1.00 0.33 C ATOM 718 C ALA A 49 2.113 -2.760 -5.033 1.00 0.30 C ATOM 719 O ALA A 49 3.187 -2.218 -5.194 1.00 0.29 O ATOM 720 CB ALA A 49 1.403 -4.036 -3.029 1.00 0.40 C ATOM 0 H ALA A 49 -0.663 -2.810 -3.547 1.00 0.32 H new ATOM 0 HA ALA A 49 1.946 -1.979 -3.047 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.428 -4.384 -2.898 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.918 -3.962 -2.056 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.857 -4.743 -3.654 1.00 0.40 H new ATOM 726 N ALA A 50 1.434 -3.373 -6.001 1.00 0.31 N ATOM 727 CA ALA A 50 1.960 -3.593 -7.345 1.00 0.35 C ATOM 728 C ALA A 50 2.412 -2.300 -8.012 1.00 0.33 C ATOM 729 O ALA A 50 3.461 -2.267 -8.648 1.00 0.37 O ATOM 730 CB ALA A 50 0.925 -4.299 -8.207 1.00 0.44 C ATOM 0 H ALA A 50 0.490 -3.736 -5.871 1.00 0.31 H new ATOM 0 HA ALA A 50 2.841 -4.227 -7.245 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.330 -4.457 -9.206 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.675 -5.262 -7.761 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.026 -3.685 -8.273 1.00 0.44 H new ATOM 736 N ARG A 51 1.636 -1.238 -7.835 1.00 0.31 N ATOM 737 CA ARG A 51 1.944 0.059 -8.421 1.00 0.36 C ATOM 738 C ARG A 51 3.263 0.571 -7.849 1.00 0.30 C ATOM 739 O ARG A 51 4.158 1.006 -8.582 1.00 0.34 O ATOM 740 CB ARG A 51 0.824 1.061 -8.099 1.00 0.46 C ATOM 741 CG ARG A 51 0.890 2.361 -8.889 1.00 0.91 C ATOM 742 CD ARG A 51 0.598 2.110 -10.358 1.00 1.03 C ATOM 743 NE ARG A 51 0.631 3.334 -11.163 1.00 1.65 N ATOM 744 CZ ARG A 51 -0.368 3.758 -11.954 1.00 2.23 C ATOM 745 NH1 ARG A 51 -1.488 3.053 -12.071 1.00 2.58 N ATOM 746 NH2 ARG A 51 -0.224 4.877 -12.647 1.00 3.05 N ATOM 0 H ARG A 51 0.778 -1.252 -7.283 1.00 0.31 H new ATOM 0 HA ARG A 51 2.027 -0.047 -9.503 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.138 0.584 -8.289 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.859 1.296 -7.035 1.00 0.46 H new ATOM 0 HG2 ARG A 51 0.171 3.074 -8.487 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.878 2.809 -8.780 1.00 0.91 H new ATOM 0 HD2 ARG A 51 1.327 1.402 -10.752 1.00 1.03 H new ATOM 0 HD3 ARG A 51 -0.383 1.644 -10.454 1.00 1.03 H new ATOM 0 HE ARG A 51 1.475 3.906 -11.119 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -1.596 2.179 -11.557 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -2.239 3.386 -12.675 1.00 2.58 H new ATOM 0 HH21 ARG A 51 0.642 5.412 -12.578 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -0.979 5.204 -13.250 1.00 3.05 H new ATOM 760 N LEU A 52 3.380 0.491 -6.541 1.00 0.25 N ATOM 761 CA LEU A 52 4.572 0.924 -5.846 1.00 0.24 C ATOM 762 C LEU A 52 5.760 0.012 -6.158 1.00 0.22 C ATOM 763 O LEU A 52 6.879 0.498 -6.383 1.00 0.26 O ATOM 764 CB LEU A 52 4.303 1.019 -4.347 1.00 0.28 C ATOM 765 CG LEU A 52 3.222 2.035 -3.947 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.965 1.990 -2.456 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.625 3.444 -4.373 1.00 0.41 C ATOM 0 H LEU A 52 2.651 0.124 -5.930 1.00 0.25 H new ATOM 0 HA LEU A 52 4.839 1.919 -6.202 1.00 0.24 H new ATOM 0 HB2 LEU A 52 4.009 0.035 -3.982 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.232 1.281 -3.842 1.00 0.28 H new ATOM 0 HG LEU A 52 2.300 1.766 -4.462 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.196 2.718 -2.197 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.629 0.992 -2.175 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.884 2.228 -1.921 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.847 4.149 -4.081 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.562 3.717 -3.888 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.754 3.474 -5.455 1.00 0.41 H new ATOM 779 N GLU A 53 5.506 -1.297 -6.204 1.00 0.20 N ATOM 780 CA GLU A 53 6.525 -2.287 -6.543 1.00 0.25 C ATOM 781 C GLU A 53 7.120 -1.981 -7.898 1.00 0.29 C ATOM 782 O GLU A 53 8.332 -1.827 -8.039 1.00 0.32 O ATOM 783 CB GLU A 53 5.955 -3.706 -6.594 1.00 0.28 C ATOM 784 CG GLU A 53 5.464 -4.286 -5.284 1.00 0.30 C ATOM 785 CD GLU A 53 4.953 -5.694 -5.486 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.754 -6.640 -5.483 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.724 -5.885 -5.585 1.00 0.55 O ATOM 0 H GLU A 53 4.589 -1.698 -6.007 1.00 0.20 H new ATOM 0 HA GLU A 53 7.283 -2.234 -5.761 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.127 -3.715 -7.303 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.724 -4.368 -6.993 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.274 -4.288 -4.554 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.670 -3.660 -4.877 1.00 0.30 H new ATOM 794 N SER A 54 6.245 -1.851 -8.867 1.00 0.35 N ATOM 795 CA SER A 54 6.602 -1.604 -10.251 1.00 0.46 C ATOM 796 C SER A 54 7.335 -0.261 -10.418 1.00 0.42 C ATOM 797 O SER A 54 8.287 -0.151 -11.198 1.00 0.46 O ATOM 798 CB SER A 54 5.318 -1.630 -11.096 1.00 0.61 C ATOM 799 OG SER A 54 5.559 -1.411 -12.478 1.00 1.51 O ATOM 0 H SER A 54 5.238 -1.915 -8.715 1.00 0.35 H new ATOM 0 HA SER A 54 7.288 -2.381 -10.587 1.00 0.46 H new ATOM 0 HB2 SER A 54 4.824 -2.593 -10.967 1.00 0.61 H new ATOM 0 HB3 SER A 54 4.631 -0.868 -10.727 1.00 0.61 H new ATOM 0 HG SER A 54 4.710 -1.440 -12.967 1.00 1.51 H new ATOM 805 N ARG A 55 6.917 0.737 -9.657 1.00 0.40 N ATOM 806 CA ARG A 55 7.480 2.073 -9.765 1.00 0.45 C ATOM 807 C ARG A 55 8.951 2.106 -9.351 1.00 0.43 C ATOM 808 O ARG A 55 9.765 2.772 -9.981 1.00 0.49 O ATOM 809 CB ARG A 55 6.669 3.066 -8.924 1.00 0.54 C ATOM 810 CG ARG A 55 7.113 4.518 -9.058 1.00 0.70 C ATOM 811 CD ARG A 55 6.226 5.450 -8.249 1.00 1.09 C ATOM 812 NE ARG A 55 4.816 5.372 -8.664 1.00 1.64 N ATOM 813 CZ ARG A 55 3.838 6.198 -8.253 1.00 2.34 C ATOM 814 NH1 ARG A 55 4.116 7.273 -7.510 1.00 2.65 N ATOM 815 NH2 ARG A 55 2.595 5.980 -8.643 1.00 3.15 N ATOM 0 H ARG A 55 6.185 0.646 -8.953 1.00 0.40 H new ATOM 0 HA ARG A 55 7.426 2.366 -10.813 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.620 2.992 -9.209 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.735 2.774 -7.876 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.146 4.616 -8.723 1.00 0.70 H new ATOM 0 HG3 ARG A 55 7.089 4.811 -10.108 1.00 0.70 H new ATOM 0 HD2 ARG A 55 6.306 5.199 -7.191 1.00 1.09 H new ATOM 0 HD3 ARG A 55 6.580 6.475 -8.361 1.00 1.09 H new ATOM 0 HE ARG A 55 4.560 4.631 -9.317 1.00 1.64 H new ATOM 0 HH11 ARG A 55 5.081 7.476 -7.247 1.00 2.65 H new ATOM 0 HH12 ARG A 55 3.364 7.891 -7.205 1.00 2.65 H new ATOM 0 HH21 ARG A 55 2.383 5.190 -9.252 1.00 3.15 H new ATOM 0 HH22 ARG A 55 1.847 6.602 -8.335 1.00 3.15 H new ATOM 829 N TYR A 56 9.287 1.379 -8.314 1.00 0.40 N ATOM 830 CA TYR A 56 10.645 1.415 -7.792 1.00 0.48 C ATOM 831 C TYR A 56 11.461 0.185 -8.182 1.00 0.49 C ATOM 832 O TYR A 56 12.677 0.146 -7.978 1.00 0.63 O ATOM 833 CB TYR A 56 10.619 1.605 -6.277 1.00 0.57 C ATOM 834 CG TYR A 56 9.941 2.882 -5.863 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.594 4.099 -5.975 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.646 2.874 -5.375 1.00 0.58 C ATOM 837 CE1 TYR A 56 9.977 5.271 -5.611 1.00 0.94 C ATOM 838 CE2 TYR A 56 8.022 4.037 -5.011 1.00 0.69 C ATOM 839 CZ TYR A 56 8.691 5.234 -5.132 1.00 0.87 C ATOM 840 OH TYR A 56 8.066 6.392 -4.772 1.00 1.01 O ATOM 0 H TYR A 56 8.651 0.758 -7.814 1.00 0.40 H new ATOM 0 HA TYR A 56 11.147 2.268 -8.249 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.105 0.760 -5.818 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.641 1.601 -5.897 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.605 4.127 -6.355 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.119 1.936 -5.280 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.499 6.212 -5.701 1.00 0.94 H new ATOM 0 HE2 TYR A 56 7.011 4.015 -4.631 1.00 0.69 H new ATOM 0 HH TYR A 56 7.101 6.301 -4.916 1.00 1.01 H new ATOM 850 N GLY A 57 10.806 -0.805 -8.735 1.00 0.42 N ATOM 851 CA GLY A 57 11.489 -2.021 -9.128 1.00 0.47 C ATOM 852 C GLY A 57 11.736 -2.919 -7.936 1.00 0.48 C ATOM 853 O GLY A 57 12.764 -3.582 -7.836 1.00 0.64 O ATOM 0 H GLY A 57 9.804 -0.797 -8.925 1.00 0.42 H new ATOM 0 HA2 GLY A 57 10.893 -2.553 -9.870 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.438 -1.771 -9.601 1.00 0.47 H new ATOM 857 N VAL A 58 10.801 -2.913 -7.021 1.00 0.37 N ATOM 858 CA VAL A 58 10.890 -3.729 -5.836 1.00 0.39 C ATOM 859 C VAL A 58 9.894 -4.881 -5.916 1.00 0.37 C ATOM 860 O VAL A 58 9.151 -4.993 -6.909 1.00 0.39 O ATOM 861 CB VAL A 58 10.756 -2.930 -4.496 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.896 -1.930 -4.347 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.416 -2.223 -4.391 1.00 0.50 C ATOM 0 H VAL A 58 9.957 -2.343 -7.076 1.00 0.37 H new ATOM 0 HA VAL A 58 11.901 -4.135 -5.812 1.00 0.39 H new ATOM 0 HB VAL A 58 10.813 -3.653 -3.682 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.783 -1.386 -3.409 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.848 -2.461 -4.346 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.874 -1.226 -5.179 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.364 -1.681 -3.447 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.309 -1.522 -5.219 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.612 -2.958 -4.432 1.00 0.50 H new ATOM 873 N SER A 59 9.880 -5.732 -4.931 1.00 0.42 N ATOM 874 CA SER A 59 9.004 -6.869 -4.935 1.00 0.50 C ATOM 875 C SER A 59 8.491 -7.152 -3.519 1.00 0.48 C ATOM 876 O SER A 59 9.242 -7.043 -2.542 1.00 0.61 O ATOM 877 CB SER A 59 9.775 -8.078 -5.485 1.00 0.68 C ATOM 878 OG SER A 59 8.927 -9.181 -5.746 1.00 1.55 O ATOM 0 H SER A 59 10.473 -5.658 -4.105 1.00 0.42 H new ATOM 0 HA SER A 59 8.139 -6.669 -5.568 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.289 -7.792 -6.403 1.00 0.68 H new ATOM 0 HB3 SER A 59 10.542 -8.373 -4.769 1.00 0.68 H new ATOM 0 HG SER A 59 9.458 -9.927 -6.096 1.00 1.55 H new ATOM 884 N ILE A 60 7.219 -7.458 -3.421 1.00 0.42 N ATOM 885 CA ILE A 60 6.578 -7.823 -2.175 1.00 0.43 C ATOM 886 C ILE A 60 5.922 -9.191 -2.358 1.00 0.48 C ATOM 887 O ILE A 60 5.212 -9.406 -3.347 1.00 0.51 O ATOM 888 CB ILE A 60 5.479 -6.786 -1.778 1.00 0.39 C ATOM 889 CG1 ILE A 60 6.090 -5.390 -1.607 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.749 -7.213 -0.494 1.00 0.44 C ATOM 891 CD1 ILE A 60 5.078 -4.312 -1.325 1.00 0.50 C ATOM 0 H ILE A 60 6.586 -7.461 -4.220 1.00 0.42 H new ATOM 0 HA ILE A 60 7.329 -7.845 -1.385 1.00 0.43 H new ATOM 0 HB ILE A 60 4.748 -6.750 -2.586 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.813 -5.418 -0.792 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.639 -5.131 -2.512 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.990 -6.472 -0.243 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.273 -8.181 -0.651 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.466 -7.290 0.324 1.00 0.44 H new ATOM 0 HD11 ILE A 60 5.587 -3.354 -1.217 1.00 0.50 H new ATOM 0 HD12 ILE A 60 4.368 -4.254 -2.150 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.545 -4.546 -0.403 1.00 0.50 H new ATOM 903 N PRO A 61 6.188 -10.147 -1.449 1.00 0.55 N ATOM 904 CA PRO A 61 5.571 -11.480 -1.492 1.00 0.61 C ATOM 905 C PRO A 61 4.042 -11.414 -1.432 1.00 0.52 C ATOM 906 O PRO A 61 3.469 -10.709 -0.584 1.00 0.43 O ATOM 907 CB PRO A 61 6.106 -12.161 -0.231 1.00 0.69 C ATOM 908 CG PRO A 61 7.380 -11.449 0.062 1.00 0.75 C ATOM 909 CD PRO A 61 7.142 -10.023 -0.330 1.00 0.63 C ATOM 0 HA PRO A 61 5.808 -12.004 -2.418 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.402 -12.073 0.597 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.274 -13.225 -0.395 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.639 -11.528 1.118 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.208 -11.878 -0.502 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.727 -9.441 0.493 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.064 -9.529 -0.637 1.00 0.63 H new ATOM 917 N ASP A 62 3.394 -12.164 -2.310 1.00 0.58 N ATOM 918 CA ASP A 62 1.922 -12.204 -2.417 1.00 0.57 C ATOM 919 C ASP A 62 1.279 -12.644 -1.113 1.00 0.48 C ATOM 920 O ASP A 62 0.216 -12.154 -0.730 1.00 0.49 O ATOM 921 CB ASP A 62 1.457 -13.117 -3.569 1.00 0.74 C ATOM 922 CG ASP A 62 1.673 -14.599 -3.326 1.00 1.16 C ATOM 923 OD1 ASP A 62 2.839 -15.037 -3.277 1.00 1.38 O ATOM 924 OD2 ASP A 62 0.690 -15.347 -3.141 1.00 1.91 O ATOM 0 H ASP A 62 3.868 -12.771 -2.979 1.00 0.58 H new ATOM 0 HA ASP A 62 1.598 -11.186 -2.636 1.00 0.57 H new ATOM 0 HB2 ASP A 62 0.396 -12.942 -3.748 1.00 0.74 H new ATOM 0 HB3 ASP A 62 1.985 -12.830 -4.478 1.00 0.74 H new ATOM 929 N ASP A 63 1.943 -13.534 -0.413 1.00 0.51 N ATOM 930 CA ASP A 63 1.446 -14.026 0.856 1.00 0.55 C ATOM 931 C ASP A 63 1.612 -12.982 1.931 1.00 0.45 C ATOM 932 O ASP A 63 0.830 -12.936 2.864 1.00 0.48 O ATOM 933 CB ASP A 63 2.119 -15.338 1.264 1.00 0.80 C ATOM 934 CG ASP A 63 3.617 -15.242 1.319 1.00 1.25 C ATOM 935 OD1 ASP A 63 4.260 -15.457 0.279 1.00 1.94 O ATOM 936 OD2 ASP A 63 4.186 -14.965 2.394 1.00 1.88 O ATOM 0 H ASP A 63 2.835 -13.936 -0.701 1.00 0.51 H new ATOM 0 HA ASP A 63 0.383 -14.234 0.732 1.00 0.55 H new ATOM 0 HB2 ASP A 63 1.745 -15.642 2.241 1.00 0.80 H new ATOM 0 HB3 ASP A 63 1.837 -16.119 0.557 1.00 0.80 H new ATOM 941 N VAL A 64 2.589 -12.102 1.763 1.00 0.43 N ATOM 942 CA VAL A 64 2.813 -11.018 2.708 1.00 0.43 C ATOM 943 C VAL A 64 1.805 -9.914 2.444 1.00 0.34 C ATOM 944 O VAL A 64 1.315 -9.294 3.372 1.00 0.37 O ATOM 945 CB VAL A 64 4.276 -10.464 2.663 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.446 -9.251 3.575 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.251 -11.545 3.084 1.00 0.70 C ATOM 0 H VAL A 64 3.241 -12.118 0.979 1.00 0.43 H new ATOM 0 HA VAL A 64 2.675 -11.415 3.714 1.00 0.43 H new ATOM 0 HB VAL A 64 4.480 -10.154 1.638 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.474 -8.894 3.518 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.768 -8.459 3.257 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.217 -9.533 4.603 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.267 -11.152 3.050 1.00 0.70 H new ATOM 0 HG22 VAL A 64 5.020 -11.868 4.099 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.168 -12.394 2.406 1.00 0.70 H new ATOM 957 N ALA A 65 1.460 -9.703 1.177 1.00 0.32 N ATOM 958 CA ALA A 65 0.415 -8.740 0.827 1.00 0.34 C ATOM 959 C ALA A 65 -0.917 -9.182 1.433 1.00 0.37 C ATOM 960 O ALA A 65 -1.715 -8.371 1.869 1.00 0.46 O ATOM 961 CB ALA A 65 0.293 -8.565 -0.682 1.00 0.42 C ATOM 0 H ALA A 65 1.883 -10.180 0.381 1.00 0.32 H new ATOM 0 HA ALA A 65 0.692 -7.770 1.240 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.493 -7.843 -0.902 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.240 -8.205 -1.084 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.045 -9.522 -1.140 1.00 0.42 H new ATOM 967 N GLY A 66 -1.124 -10.484 1.495 1.00 0.39 N ATOM 968 CA GLY A 66 -2.315 -11.013 2.124 1.00 0.50 C ATOM 969 C GLY A 66 -2.184 -11.039 3.639 1.00 0.52 C ATOM 970 O GLY A 66 -3.155 -11.246 4.356 1.00 0.73 O ATOM 0 H GLY A 66 -0.488 -11.188 1.120 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -3.176 -10.406 1.843 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.503 -12.022 1.757 1.00 0.50 H new ATOM 974 N ARG A 67 -0.981 -10.811 4.119 1.00 0.42 N ATOM 975 CA ARG A 67 -0.677 -10.839 5.538 1.00 0.50 C ATOM 976 C ARG A 67 -0.499 -9.453 6.145 1.00 0.49 C ATOM 977 O ARG A 67 -0.189 -9.336 7.333 1.00 0.60 O ATOM 978 CB ARG A 67 0.549 -11.726 5.823 1.00 0.56 C ATOM 979 CG ARG A 67 0.219 -13.211 5.864 1.00 1.09 C ATOM 980 CD ARG A 67 1.450 -14.077 6.076 1.00 1.24 C ATOM 981 NE ARG A 67 1.091 -15.504 6.151 1.00 2.11 N ATOM 982 CZ ARG A 67 1.943 -16.539 6.078 1.00 2.57 C ATOM 983 NH1 ARG A 67 3.224 -16.345 5.805 1.00 2.21 N ATOM 984 NH2 ARG A 67 1.487 -17.773 6.258 1.00 3.62 N ATOM 0 H ARG A 67 -0.175 -10.598 3.531 1.00 0.42 H new ATOM 0 HA ARG A 67 -1.548 -11.276 6.026 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.303 -11.549 5.056 1.00 0.56 H new ATOM 0 HB3 ARG A 67 0.988 -11.432 6.776 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -0.495 -13.399 6.666 1.00 1.09 H new ATOM 0 HG3 ARG A 67 -0.266 -13.498 4.931 1.00 1.09 H new ATOM 0 HD2 ARG A 67 2.154 -13.919 5.259 1.00 1.24 H new ATOM 0 HD3 ARG A 67 1.955 -13.778 6.994 1.00 1.24 H new ATOM 0 HE ARG A 67 0.103 -15.726 6.269 1.00 2.11 H new ATOM 0 HH11 ARG A 67 3.574 -15.400 5.647 1.00 2.21 H new ATOM 0 HH12 ARG A 67 3.860 -17.140 5.753 1.00 2.21 H new ATOM 0 HH21 ARG A 67 0.497 -17.928 6.450 1.00 3.62 H new ATOM 0 HH22 ARG A 67 2.126 -18.566 6.204 1.00 3.62 H new ATOM 998 N VAL A 68 -0.740 -8.406 5.373 1.00 0.44 N ATOM 999 CA VAL A 68 -0.571 -7.059 5.896 1.00 0.44 C ATOM 1000 C VAL A 68 -1.744 -6.648 6.772 1.00 0.52 C ATOM 1001 O VAL A 68 -2.886 -7.057 6.549 1.00 0.94 O ATOM 1002 CB VAL A 68 -0.271 -5.977 4.811 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.109 -6.178 4.211 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -1.316 -5.993 3.719 1.00 0.57 C ATOM 0 H VAL A 68 -1.047 -8.458 4.402 1.00 0.44 H new ATOM 0 HA VAL A 68 0.326 -7.107 6.513 1.00 0.44 H new ATOM 0 HB VAL A 68 -0.301 -5.005 5.303 1.00 0.46 H new ATOM 0 HG11 VAL A 68 1.294 -5.412 3.458 1.00 0.50 H new ATOM 0 HG12 VAL A 68 1.861 -6.104 4.996 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.164 -7.163 3.747 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -1.080 -5.229 2.978 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -1.326 -6.972 3.240 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -2.296 -5.790 4.150 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.431 -5.886 7.776 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.375 -5.449 8.815 1.00 0.57 C ATOM 1016 C ASP A 69 -3.057 -4.134 8.480 1.00 0.40 C ATOM 1017 O ASP A 69 -4.263 -4.102 8.240 1.00 0.48 O ATOM 1018 CB ASP A 69 -1.612 -5.389 10.159 1.00 0.94 C ATOM 1019 CG ASP A 69 -2.247 -4.573 11.256 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -3.104 -5.087 11.972 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -1.818 -3.404 11.443 1.00 2.46 O ATOM 0 H ASP A 69 -0.486 -5.528 7.919 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.190 -6.170 8.884 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -1.482 -6.408 10.523 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -0.616 -4.989 9.969 1.00 0.94 H new ATOM 1026 N THR A 70 -2.307 -3.080 8.437 1.00 0.35 N ATOM 1027 CA THR A 70 -2.840 -1.779 8.155 1.00 0.30 C ATOM 1028 C THR A 70 -1.922 -1.091 7.159 1.00 0.26 C ATOM 1029 O THR A 70 -0.764 -1.520 7.008 1.00 0.26 O ATOM 1030 CB THR A 70 -2.961 -0.947 9.465 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.733 -1.043 10.209 1.00 0.54 O ATOM 1032 CG2 THR A 70 -4.113 -1.448 10.332 1.00 0.52 C ATOM 0 H THR A 70 -1.300 -3.094 8.597 1.00 0.35 H new ATOM 0 HA THR A 70 -3.839 -1.868 7.729 1.00 0.30 H new ATOM 0 HB THR A 70 -3.158 0.090 9.193 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.827 -1.723 10.909 1.00 0.54 H new ATOM 0 HG21 THR A 70 -4.173 -0.848 11.240 1.00 0.52 H new ATOM 0 HG22 THR A 70 -5.048 -1.363 9.779 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.942 -2.491 10.597 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.413 -0.077 6.407 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.608 0.658 5.427 1.00 0.28 C ATOM 1042 C PRO A 71 -0.264 1.132 5.980 1.00 0.27 C ATOM 1043 O PRO A 71 0.728 1.096 5.269 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.493 1.834 5.050 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.872 1.313 5.224 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.812 0.403 6.416 1.00 0.33 C ATOM 0 HA PRO A 71 -1.335 0.028 4.581 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.307 2.695 5.692 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.314 2.156 4.024 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.580 2.125 5.386 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.203 0.774 4.336 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -4.050 0.932 7.339 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.521 -0.421 6.329 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.239 1.575 7.242 1.00 0.29 N ATOM 1055 CA ARG A 72 1.012 1.981 7.908 1.00 0.34 C ATOM 1056 C ARG A 72 2.076 0.877 7.817 1.00 0.32 C ATOM 1057 O ARG A 72 3.239 1.142 7.533 1.00 0.35 O ATOM 1058 CB ARG A 72 0.784 2.367 9.377 1.00 0.42 C ATOM 1059 CG ARG A 72 2.060 2.836 10.071 1.00 0.72 C ATOM 1060 CD ARG A 72 1.847 3.168 11.537 1.00 0.75 C ATOM 1061 NE ARG A 72 0.871 4.242 11.738 1.00 0.84 N ATOM 1062 CZ ARG A 72 1.158 5.467 12.202 1.00 1.44 C ATOM 1063 NH1 ARG A 72 2.425 5.831 12.408 1.00 2.34 N ATOM 1064 NH2 ARG A 72 0.178 6.328 12.422 1.00 1.57 N ATOM 0 H ARG A 72 -1.070 1.663 7.827 1.00 0.29 H new ATOM 0 HA ARG A 72 1.373 2.863 7.379 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.036 3.159 9.428 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.378 1.510 9.914 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.820 2.059 9.986 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.445 3.716 9.556 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.511 2.274 12.062 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.799 3.460 11.981 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.102 4.042 11.507 1.00 0.84 H new ATOM 0 HH11 ARG A 72 3.182 5.176 12.212 1.00 2.34 H new ATOM 0 HH12 ARG A 72 2.637 6.764 12.761 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -0.788 6.058 12.239 1.00 1.57 H new ATOM 0 HH22 ARG A 72 0.389 7.261 12.775 1.00 1.57 H new ATOM 1078 N GLU A 73 1.652 -0.353 8.035 1.00 0.30 N ATOM 1079 CA GLU A 73 2.540 -1.504 7.982 1.00 0.31 C ATOM 1080 C GLU A 73 3.044 -1.730 6.554 1.00 0.30 C ATOM 1081 O GLU A 73 4.219 -2.017 6.333 1.00 0.33 O ATOM 1082 CB GLU A 73 1.818 -2.739 8.493 1.00 0.36 C ATOM 1083 CG GLU A 73 2.657 -3.993 8.490 1.00 0.42 C ATOM 1084 CD GLU A 73 1.901 -5.170 8.996 1.00 1.08 C ATOM 1085 OE1 GLU A 73 1.921 -5.422 10.214 1.00 1.68 O ATOM 1086 OE2 GLU A 73 1.271 -5.879 8.189 1.00 1.74 O ATOM 0 H GLU A 73 0.683 -0.585 8.254 1.00 0.30 H new ATOM 0 HA GLU A 73 3.402 -1.311 8.620 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.472 -2.549 9.509 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.932 -2.907 7.881 1.00 0.36 H new ATOM 0 HG2 GLU A 73 3.005 -4.194 7.477 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.542 -3.838 9.107 1.00 0.42 H new ATOM 1093 N LEU A 74 2.152 -1.554 5.594 1.00 0.28 N ATOM 1094 CA LEU A 74 2.482 -1.729 4.186 1.00 0.31 C ATOM 1095 C LEU A 74 3.484 -0.631 3.786 1.00 0.31 C ATOM 1096 O LEU A 74 4.468 -0.886 3.079 1.00 0.34 O ATOM 1097 CB LEU A 74 1.159 -1.686 3.350 1.00 0.32 C ATOM 1098 CG LEU A 74 1.199 -2.038 1.834 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.840 -0.943 0.996 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.908 -3.369 1.606 1.00 0.50 C ATOM 0 H LEU A 74 1.183 -1.287 5.765 1.00 0.28 H new ATOM 0 HA LEU A 74 2.953 -2.693 3.993 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.450 -2.365 3.824 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.747 -0.681 3.441 1.00 0.32 H new ATOM 0 HG LEU A 74 0.163 -2.126 1.505 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.842 -1.241 -0.052 1.00 0.60 H new ATOM 0 HD12 LEU A 74 1.273 -0.019 1.110 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.865 -0.783 1.329 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.924 -3.595 0.540 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.930 -3.305 1.979 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.377 -4.160 2.136 1.00 0.50 H new ATOM 1112 N LEU A 75 3.232 0.572 4.285 1.00 0.32 N ATOM 1113 CA LEU A 75 4.105 1.722 4.109 1.00 0.34 C ATOM 1114 C LEU A 75 5.497 1.398 4.628 1.00 0.33 C ATOM 1115 O LEU A 75 6.493 1.570 3.926 1.00 0.31 O ATOM 1116 CB LEU A 75 3.546 2.920 4.889 1.00 0.38 C ATOM 1117 CG LEU A 75 4.330 4.227 4.787 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.349 4.716 3.358 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.736 5.281 5.708 1.00 0.52 C ATOM 0 H LEU A 75 2.398 0.778 4.834 1.00 0.32 H new ATOM 0 HA LEU A 75 4.158 1.966 3.048 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.528 3.105 4.546 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.482 2.642 5.941 1.00 0.38 H new ATOM 0 HG LEU A 75 5.357 4.041 5.102 1.00 0.45 H new ATOM 0 HD11 LEU A 75 4.911 5.648 3.300 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.822 3.967 2.723 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.327 4.886 3.018 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.308 6.205 5.621 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.700 5.468 5.426 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.773 4.927 6.738 1.00 0.52 H new ATOM 1131 N ASP A 76 5.535 0.899 5.852 1.00 0.35 N ATOM 1132 CA ASP A 76 6.774 0.542 6.552 1.00 0.37 C ATOM 1133 C ASP A 76 7.554 -0.525 5.798 1.00 0.34 C ATOM 1134 O ASP A 76 8.787 -0.442 5.669 1.00 0.35 O ATOM 1135 CB ASP A 76 6.445 0.038 7.956 1.00 0.45 C ATOM 1136 CG ASP A 76 7.668 -0.332 8.755 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.318 0.570 9.342 1.00 0.69 O ATOM 1138 OD2 ASP A 76 8.032 -1.524 8.773 1.00 0.59 O ATOM 0 H ASP A 76 4.695 0.725 6.404 1.00 0.35 H new ATOM 0 HA ASP A 76 7.395 1.436 6.613 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.889 0.808 8.491 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.792 -0.831 7.879 1.00 0.45 H new ATOM 1143 N LEU A 77 6.829 -1.496 5.269 1.00 0.34 N ATOM 1144 CA LEU A 77 7.409 -2.604 4.523 1.00 0.35 C ATOM 1145 C LEU A 77 8.119 -2.041 3.289 1.00 0.34 C ATOM 1146 O LEU A 77 9.294 -2.333 3.042 1.00 0.43 O ATOM 1147 CB LEU A 77 6.268 -3.607 4.129 1.00 0.38 C ATOM 1148 CG LEU A 77 6.644 -5.020 3.585 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.345 -4.981 2.233 1.00 1.15 C ATOM 1150 CD2 LEU A 77 7.470 -5.786 4.605 1.00 1.54 C ATOM 0 H LEU A 77 5.813 -1.539 5.345 1.00 0.34 H new ATOM 0 HA LEU A 77 8.140 -3.145 5.125 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.641 -3.752 5.009 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.650 -3.120 3.374 1.00 0.38 H new ATOM 0 HG LEU A 77 5.704 -5.547 3.422 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.578 -5.997 1.914 1.00 1.15 H new ATOM 0 HD12 LEU A 77 6.692 -4.511 1.498 1.00 1.15 H new ATOM 0 HD13 LEU A 77 8.268 -4.407 2.318 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.721 -6.769 4.206 1.00 1.54 H new ATOM 0 HD22 LEU A 77 8.386 -5.236 4.818 1.00 1.54 H new ATOM 0 HD23 LEU A 77 6.895 -5.904 5.524 1.00 1.54 H new ATOM 1162 N ILE A 78 7.436 -1.170 2.569 1.00 0.27 N ATOM 1163 CA ILE A 78 8.004 -0.605 1.372 1.00 0.26 C ATOM 1164 C ILE A 78 9.083 0.427 1.714 1.00 0.28 C ATOM 1165 O ILE A 78 10.053 0.560 1.000 1.00 0.33 O ATOM 1166 CB ILE A 78 6.929 -0.030 0.394 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.935 -1.139 0.029 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.584 0.523 -0.874 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.898 -0.754 -1.009 1.00 0.29 C ATOM 0 H ILE A 78 6.496 -0.844 2.794 1.00 0.27 H new ATOM 0 HA ILE A 78 8.480 -1.423 0.832 1.00 0.26 H new ATOM 0 HB ILE A 78 6.405 0.788 0.888 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.493 -2.000 -0.339 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.419 -1.457 0.935 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.815 0.917 -1.538 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.277 1.321 -0.607 1.00 0.25 H new ATOM 0 HG23 ILE A 78 8.127 -0.275 -1.381 1.00 0.25 H new ATOM 0 HD11 ILE A 78 4.242 -1.603 -1.200 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.308 0.085 -0.640 1.00 0.29 H new ATOM 0 HD13 ILE A 78 5.398 -0.467 -1.934 1.00 0.29 H new ATOM 1181 N ASN A 79 8.943 1.103 2.852 1.00 0.28 N ATOM 1182 CA ASN A 79 9.976 2.054 3.299 1.00 0.32 C ATOM 1183 C ASN A 79 11.282 1.338 3.556 1.00 0.34 C ATOM 1184 O ASN A 79 12.339 1.802 3.141 1.00 0.37 O ATOM 1185 CB ASN A 79 9.585 2.851 4.561 1.00 0.37 C ATOM 1186 CG ASN A 79 8.817 4.149 4.307 1.00 0.43 C ATOM 1187 OD1 ASN A 79 9.017 5.129 5.011 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.908 4.161 3.365 1.00 0.69 N ATOM 0 H ASN A 79 8.141 1.018 3.477 1.00 0.28 H new ATOM 0 HA ASN A 79 10.083 2.771 2.485 1.00 0.32 H new ATOM 0 HB2 ASN A 79 8.979 2.210 5.201 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.493 3.089 5.115 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.349 4.999 3.206 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.759 3.332 2.790 1.00 0.69 H new ATOM 1195 N GLY A 80 11.195 0.186 4.212 1.00 0.37 N ATOM 1196 CA GLY A 80 12.375 -0.613 4.488 1.00 0.43 C ATOM 1197 C GLY A 80 13.042 -1.069 3.208 1.00 0.42 C ATOM 1198 O GLY A 80 14.273 -1.056 3.090 1.00 0.50 O ATOM 0 H GLY A 80 10.322 -0.211 4.560 1.00 0.37 H new ATOM 0 HA2 GLY A 80 13.081 -0.031 5.081 1.00 0.43 H new ATOM 0 HA3 GLY A 80 12.097 -1.481 5.085 1.00 0.43 H new ATOM 1202 N ALA A 81 12.220 -1.400 2.226 1.00 0.38 N ATOM 1203 CA ALA A 81 12.703 -1.839 0.936 1.00 0.40 C ATOM 1204 C ALA A 81 13.344 -0.674 0.177 1.00 0.37 C ATOM 1205 O ALA A 81 14.440 -0.804 -0.350 1.00 0.44 O ATOM 1206 CB ALA A 81 11.561 -2.439 0.120 1.00 0.42 C ATOM 0 H ALA A 81 11.203 -1.371 2.304 1.00 0.38 H new ATOM 0 HA ALA A 81 13.461 -2.606 1.094 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.939 -2.765 -0.849 1.00 0.42 H new ATOM 0 HB2 ALA A 81 11.143 -3.293 0.653 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.785 -1.688 -0.027 1.00 0.42 H new ATOM 1212 N LEU A 82 12.679 0.477 0.180 1.00 0.35 N ATOM 1213 CA LEU A 82 13.127 1.655 -0.550 1.00 0.39 C ATOM 1214 C LEU A 82 14.370 2.279 0.033 1.00 0.53 C ATOM 1215 O LEU A 82 15.127 2.925 -0.690 1.00 0.67 O ATOM 1216 CB LEU A 82 12.031 2.703 -0.619 1.00 0.39 C ATOM 1217 CG LEU A 82 10.764 2.308 -1.353 1.00 0.37 C ATOM 1218 CD1 LEU A 82 9.826 3.488 -1.459 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.088 1.749 -2.718 1.00 0.49 C ATOM 0 H LEU A 82 11.809 0.618 0.693 1.00 0.35 H new ATOM 0 HA LEU A 82 13.371 1.304 -1.552 1.00 0.39 H new ATOM 0 HB2 LEU A 82 11.762 2.983 0.399 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.439 3.593 -1.098 1.00 0.39 H new ATOM 0 HG LEU A 82 10.264 1.526 -0.782 1.00 0.37 H new ATOM 0 HD11 LEU A 82 8.922 3.188 -1.988 1.00 0.49 H new ATOM 0 HD12 LEU A 82 9.563 3.835 -0.460 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.316 4.294 -2.006 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.164 1.472 -3.226 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.613 2.503 -3.305 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.720 0.868 -2.610 1.00 0.49 H new ATOM 1231 N ALA A 83 14.581 2.088 1.331 1.00 0.63 N ATOM 1232 CA ALA A 83 15.750 2.635 2.019 1.00 0.81 C ATOM 1233 C ALA A 83 17.024 2.064 1.431 1.00 0.84 C ATOM 1234 O ALA A 83 18.063 2.724 1.389 1.00 1.00 O ATOM 1235 CB ALA A 83 15.687 2.324 3.501 1.00 0.99 C ATOM 0 H ALA A 83 13.954 1.555 1.933 1.00 0.63 H new ATOM 0 HA ALA A 83 15.750 3.717 1.884 1.00 0.81 H new ATOM 0 HB1 ALA A 83 16.565 2.738 3.997 1.00 0.99 H new ATOM 0 HB2 ALA A 83 14.786 2.766 3.928 1.00 0.99 H new ATOM 0 HB3 ALA A 83 15.665 1.244 3.645 1.00 0.99 H new ATOM 1241 N GLU A 84 16.922 0.847 0.973 1.00 0.79 N ATOM 1242 CA GLU A 84 18.019 0.158 0.373 1.00 0.94 C ATOM 1243 C GLU A 84 17.886 0.273 -1.150 1.00 0.95 C ATOM 1244 O GLU A 84 18.867 0.547 -1.868 1.00 1.34 O ATOM 1245 CB GLU A 84 17.962 -1.293 0.809 1.00 1.11 C ATOM 1246 CG GLU A 84 19.165 -2.099 0.432 1.00 1.64 C ATOM 1247 CD GLU A 84 19.026 -3.527 0.854 1.00 1.84 C ATOM 1248 OE1 GLU A 84 19.396 -3.861 1.995 1.00 2.22 O ATOM 1249 OE2 GLU A 84 18.531 -4.344 0.062 1.00 2.18 O ATOM 0 H GLU A 84 16.060 0.303 1.009 1.00 0.79 H new ATOM 0 HA GLU A 84 18.974 0.585 0.678 1.00 0.94 H new ATOM 0 HB2 GLU A 84 17.840 -1.330 1.891 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.078 -1.757 0.372 1.00 1.11 H new ATOM 0 HG2 GLU A 84 19.312 -2.051 -0.647 1.00 1.64 H new ATOM 0 HG3 GLU A 84 20.052 -1.667 0.895 1.00 1.64 H new ATOM 1256 N ALA A 85 16.653 0.058 -1.617 1.00 0.92 N ATOM 1257 CA ALA A 85 16.243 0.148 -3.016 1.00 1.13 C ATOM 1258 C ALA A 85 16.894 -0.926 -3.888 1.00 1.45 C ATOM 1259 O ALA A 85 17.624 -1.808 -3.395 1.00 2.15 O ATOM 1260 CB ALA A 85 16.459 1.555 -3.576 1.00 1.72 C ATOM 0 H ALA A 85 15.881 -0.195 -1.000 1.00 0.92 H new ATOM 0 HA ALA A 85 15.171 -0.049 -3.043 1.00 1.13 H new ATOM 0 HB1 ALA A 85 16.143 1.584 -4.619 1.00 1.72 H new ATOM 0 HB2 ALA A 85 15.873 2.270 -2.999 1.00 1.72 H new ATOM 0 HB3 ALA A 85 17.516 1.815 -3.510 1.00 1.72 H new ATOM 1266 N ALA A 86 16.599 -0.887 -5.151 1.00 1.81 N ATOM 1267 CA ALA A 86 17.137 -1.813 -6.096 1.00 2.61 C ATOM 1268 C ALA A 86 17.624 -1.030 -7.285 1.00 2.71 C ATOM 1269 O ALA A 86 16.866 -0.841 -8.238 1.00 3.04 O ATOM 1270 CB ALA A 86 16.074 -2.818 -6.505 1.00 3.54 C ATOM 1271 OXT ALA A 86 18.746 -0.494 -7.225 1.00 3.10 O ATOM 0 H ALA A 86 15.967 -0.199 -5.560 1.00 1.81 H new ATOM 0 HA ALA A 86 17.965 -2.371 -5.658 1.00 2.61 H new ATOM 0 HB1 ALA A 86 16.494 -3.519 -7.226 1.00 3.54 H new ATOM 0 HB2 ALA A 86 15.731 -3.363 -5.626 1.00 3.54 H new ATOM 0 HB3 ALA A 86 15.232 -2.294 -6.958 1.00 3.54 H new TER 1277 ALA A 86 HETATM 1278 O23 PSR A 87 -11.304 -10.876 -4.018 1.00 1.31 O HETATM 1279 P24 PSR A 87 -10.319 -10.188 -5.017 1.00 1.02 P HETATM 1280 O26 PSR A 87 -10.776 -10.034 -6.507 1.00 1.20 O HETATM 1281 O27 PSR A 87 -8.989 -10.969 -5.015 1.00 0.86 O HETATM 1282 C28 PSR A 87 -7.898 -10.493 -5.878 1.00 0.77 C HETATM 1283 C29 PSR A 87 -6.579 -11.219 -5.580 1.00 0.82 C HETATM 1284 C30 PSR A 87 -5.557 -10.614 -6.505 1.00 0.94 C HETATM 1285 C31 PSR A 87 -6.146 -10.935 -4.132 1.00 0.94 C HETATM 1286 C32 PSR A 87 -6.663 -12.801 -5.887 1.00 0.97 C HETATM 1287 O33 PSR A 87 -6.899 -13.016 -7.270 1.00 1.07 O HETATM 1288 C34 PSR A 87 -7.802 -13.520 -5.171 1.00 1.04 C HETATM 1289 O35 PSR A 87 -8.696 -14.039 -5.856 1.00 1.12 O HETATM 1290 N36 PSR A 87 -7.787 -13.558 -3.871 1.00 1.17 N HETATM 1291 C37 PSR A 87 -8.810 -14.204 -3.047 1.00 1.38 C HETATM 1292 C38 PSR A 87 -8.978 -13.483 -1.724 1.00 1.65 C HETATM 1293 C39 PSR A 87 -7.800 -13.666 -0.787 1.00 1.64 C HETATM 1294 O40 PSR A 87 -7.177 -14.745 -0.705 1.00 2.45 O HETATM 1295 N41 PSR A 87 -7.507 -12.605 -0.074 1.00 1.40 N HETATM 1296 C42 PSR A 87 -6.424 -12.530 0.888 1.00 1.54 C HETATM 1297 C43 PSR A 87 -5.581 -11.321 0.628 1.00 1.34 C HETATM 1298 S1 PSR A 87 -4.859 -11.479 -0.933 1.00 1.78 S HETATM 1299 C1 PSR A 87 -4.146 -9.915 -1.022 1.00 1.60 C HETATM 1300 O1 PSR A 87 -4.308 -9.045 -0.162 1.00 2.22 O HETATM 1301 C2 PSR A 87 -3.300 -9.666 -2.259 1.00 1.64 C HETATM 1302 C3 PSR A 87 -2.219 -10.714 -2.465 1.00 1.78 C HETATM 1303 C4 PSR A 87 -1.443 -10.415 -3.727 1.00 1.76 C HETATM 0 HC43 PSR A 87 -2.120 -10.426 -4.581 1.00 1.76 H new HETATM 0 HC42 PSR A 87 -0.978 -9.432 -3.644 1.00 1.76 H new HETATM 0 HC41 PSR A 87 -0.670 -11.171 -3.867 1.00 1.76 H new HETATM 0 HC32 PSR A 87 -1.545 -10.727 -1.608 1.00 1.78 H new HETATM 0 HC31 PSR A 87 -2.669 -11.705 -2.531 1.00 1.78 H new HETATM 0 HC22 PSR A 87 -3.947 -9.644 -3.136 1.00 1.64 H new HETATM 0 HC21 PSR A 87 -2.835 -8.683 -2.181 1.00 1.64 H new HETATM 0 H432 PSR A 87 -6.190 -10.418 0.674 1.00 1.34 H new HETATM 0 H431 PSR A 87 -4.811 -11.225 1.393 1.00 1.34 H new HETATM 0 H422 PSR A 87 -6.829 -12.489 1.899 1.00 1.54 H new HETATM 0 H421 PSR A 87 -5.811 -13.429 0.827 1.00 1.54 H new HETATM 0 H411 PSR A 87 -8.082 -11.773 -0.205 1.00 1.40 H new HETATM 0 H382 PSR A 87 -9.121 -12.419 -1.914 1.00 1.65 H new HETATM 0 H381 PSR A 87 -9.882 -13.844 -1.234 1.00 1.65 H new HETATM 0 H372 PSR A 87 -9.759 -14.215 -3.582 1.00 1.38 H new HETATM 0 H371 PSR A 87 -8.534 -15.243 -2.866 1.00 1.38 H new HETATM 0 H361 PSR A 87 -7.008 -13.106 -3.392 1.00 1.17 H new HETATM 0 H331 PSR A 87 -7.672 -13.608 -7.382 1.00 1.07 H new HETATM 0 H321 PSR A 87 -5.709 -13.197 -5.538 1.00 0.97 H new HETATM 0 H313 PSR A 87 -6.006 -9.862 -3.998 1.00 0.94 H new HETATM 0 H312 PSR A 87 -6.916 -11.289 -3.446 1.00 0.94 H new HETATM 0 H311 PSR A 87 -5.209 -11.452 -3.924 1.00 0.94 H new HETATM 0 H303 PSR A 87 -5.866 -10.767 -7.539 1.00 0.94 H new HETATM 0 H302 PSR A 87 -5.473 -9.546 -6.306 1.00 0.94 H new HETATM 0 H301 PSR A 87 -4.591 -11.091 -6.341 1.00 0.94 H new HETATM 0 H282 PSR A 87 -8.168 -10.644 -6.923 1.00 0.77 H new HETATM 0 H281 PSR A 87 -7.763 -9.421 -5.736 1.00 0.77 H new