USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 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 -150:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.108 (180deg=-0.601) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00145 (180deg=-0.113) USER MOD Single : A 3 THR OG1 : rot 48:sc= 0.454 USER MOD Single : A 6 THR OG1 : rot -89:sc= 1.16 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 21:sc= 0.954 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.367 USER MOD Single : A 46 MET CE :methyl -131:sc= -0.223 (180deg=-3.34!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -3:sc= -0.993 USER MOD Single : A 59 SER OG : rot 25:sc= 0.536 USER MOD Single : A 70 THR OG1 : rot -52:sc= -0.213 USER MOD Single : A 79 ASN : amide:sc= 0.677 K(o=0.68,f=-2.8!) USER MOD Single : A 87 SXO O33 : rot -8:sc= 0.996 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.997 13.763 2.137 1.00 3.98 N ATOM 2 CA MET A 1 -16.730 13.445 1.443 1.00 3.18 C ATOM 3 C MET A 1 -15.962 12.394 2.228 1.00 2.64 C ATOM 4 O MET A 1 -15.815 12.506 3.444 1.00 2.90 O ATOM 5 CB MET A 1 -15.869 14.702 1.281 1.00 3.46 C ATOM 6 CG MET A 1 -16.480 15.759 0.374 1.00 3.84 C ATOM 7 SD MET A 1 -15.465 17.249 0.265 1.00 4.73 S ATOM 8 CE MET A 1 -13.956 16.588 -0.443 1.00 5.02 C ATOM 0 H1 MET A 1 -18.594 14.349 1.519 1.00 3.98 H new ATOM 0 H2 MET A 1 -18.498 12.881 2.366 1.00 3.98 H new ATOM 0 H3 MET A 1 -17.791 14.283 3.014 1.00 3.98 H new ATOM 0 HA MET A 1 -16.967 13.058 0.452 1.00 3.18 H new ATOM 0 HB2 MET A 1 -15.694 15.139 2.264 1.00 3.46 H new ATOM 0 HB3 MET A 1 -14.896 14.414 0.882 1.00 3.46 H new ATOM 0 HG2 MET A 1 -16.616 15.342 -0.624 1.00 3.84 H new ATOM 0 HG3 MET A 1 -17.470 16.024 0.746 1.00 3.84 H new ATOM 0 HE1 MET A 1 -13.373 17.399 -0.878 1.00 5.02 H new ATOM 0 HE2 MET A 1 -13.372 16.099 0.337 1.00 5.02 H new ATOM 0 HE3 MET A 1 -14.205 15.863 -1.218 1.00 5.02 H new ATOM 20 N ALA A 2 -15.492 11.371 1.533 1.00 2.32 N ATOM 21 CA ALA A 2 -14.756 10.290 2.167 1.00 1.93 C ATOM 22 C ALA A 2 -13.262 10.451 1.933 1.00 1.46 C ATOM 23 O ALA A 2 -12.840 10.991 0.908 1.00 1.43 O ATOM 24 CB ALA A 2 -15.233 8.946 1.635 1.00 2.06 C ATOM 0 H ALA A 2 -15.608 11.267 0.525 1.00 2.32 H new ATOM 0 HA ALA A 2 -14.942 10.328 3.240 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -14.674 8.144 2.118 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -16.295 8.827 1.848 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.072 8.903 0.558 1.00 2.06 H new ATOM 30 N THR A 3 -12.465 9.999 2.886 1.00 1.35 N ATOM 31 CA THR A 3 -11.024 10.034 2.735 1.00 1.09 C ATOM 32 C THR A 3 -10.556 8.810 1.959 1.00 0.90 C ATOM 33 O THR A 3 -10.527 7.701 2.490 1.00 1.14 O ATOM 34 CB THR A 3 -10.336 10.075 4.113 1.00 1.49 C ATOM 35 OG1 THR A 3 -10.847 9.023 4.942 1.00 2.10 O ATOM 36 CG2 THR A 3 -10.565 11.418 4.789 1.00 2.10 C ATOM 0 H THR A 3 -12.791 9.605 3.769 1.00 1.35 H new ATOM 0 HA THR A 3 -10.754 10.935 2.185 1.00 1.09 H new ATOM 0 HB THR A 3 -9.264 9.937 3.969 1.00 1.49 H new ATOM 0 HG1 THR A 3 -10.850 8.182 4.439 1.00 2.10 H new ATOM 0 HG21 THR A 3 -10.071 11.425 5.760 1.00 2.10 H new ATOM 0 HG22 THR A 3 -10.154 12.213 4.167 1.00 2.10 H new ATOM 0 HG23 THR A 3 -11.634 11.579 4.925 1.00 2.10 H new ATOM 44 N LEU A 4 -10.235 9.019 0.689 1.00 0.64 N ATOM 45 CA LEU A 4 -9.755 7.946 -0.167 1.00 0.51 C ATOM 46 C LEU A 4 -8.258 7.757 -0.005 1.00 0.45 C ATOM 47 O LEU A 4 -7.570 8.614 0.548 1.00 0.52 O ATOM 48 CB LEU A 4 -10.076 8.236 -1.636 1.00 0.57 C ATOM 49 CG LEU A 4 -11.563 8.391 -1.965 1.00 0.58 C ATOM 50 CD1 LEU A 4 -11.754 8.626 -3.454 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.345 7.163 -1.519 1.00 0.84 C ATOM 0 H LEU A 4 -10.299 9.927 0.229 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.264 7.031 0.134 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.559 9.150 -1.930 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -9.669 7.429 -2.245 1.00 0.57 H new ATOM 0 HG LEU A 4 -11.944 9.256 -1.423 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -12.816 8.734 -3.672 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.229 9.534 -3.749 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.354 7.778 -4.010 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.399 7.295 -1.763 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -11.961 6.281 -2.032 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.235 7.033 -0.442 1.00 0.84 H new ATOM 63 N LEU A 5 -7.765 6.631 -0.486 1.00 0.39 N ATOM 64 CA LEU A 5 -6.339 6.386 -0.530 1.00 0.35 C ATOM 65 C LEU A 5 -5.775 7.025 -1.789 1.00 0.35 C ATOM 66 O LEU A 5 -6.208 6.704 -2.893 1.00 0.41 O ATOM 67 CB LEU A 5 -6.080 4.872 -0.519 1.00 0.38 C ATOM 68 CG LEU A 5 -4.673 4.417 -0.925 1.00 0.58 C ATOM 69 CD1 LEU A 5 -3.609 5.075 -0.066 1.00 1.00 C ATOM 70 CD2 LEU A 5 -4.568 2.903 -0.834 1.00 0.98 C ATOM 0 H LEU A 5 -8.336 5.869 -0.853 1.00 0.39 H new ATOM 0 HA LEU A 5 -5.849 6.822 0.340 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -6.283 4.498 0.484 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.798 4.398 -1.188 1.00 0.38 H new ATOM 0 HG LEU A 5 -4.502 4.725 -1.957 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -2.624 4.731 -0.380 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -3.668 6.158 -0.179 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -3.770 4.810 0.979 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.565 2.590 -1.124 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -4.765 2.585 0.190 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -5.298 2.447 -1.502 1.00 0.98 H new ATOM 82 N THR A 6 -4.835 7.939 -1.636 1.00 0.39 N ATOM 83 CA THR A 6 -4.240 8.581 -2.790 1.00 0.49 C ATOM 84 C THR A 6 -2.766 8.225 -2.924 1.00 0.42 C ATOM 85 O THR A 6 -2.219 7.467 -2.118 1.00 0.41 O ATOM 86 CB THR A 6 -4.389 10.119 -2.750 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.681 10.659 -1.626 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.853 10.529 -2.674 1.00 1.03 C ATOM 0 H THR A 6 -4.471 8.250 -0.735 1.00 0.39 H new ATOM 0 HA THR A 6 -4.784 8.206 -3.657 1.00 0.49 H new ATOM 0 HB THR A 6 -3.965 10.517 -3.672 1.00 0.69 H new ATOM 0 HG1 THR A 6 -4.275 10.684 -0.847 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.925 11.616 -2.647 1.00 1.03 H new ATOM 0 HG22 THR A 6 -6.382 10.151 -3.549 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.301 10.113 -1.771 1.00 1.03 H new ATOM 96 N THR A 7 -2.136 8.779 -3.948 1.00 0.47 N ATOM 97 CA THR A 7 -0.720 8.588 -4.195 1.00 0.45 C ATOM 98 C THR A 7 0.112 9.015 -2.995 1.00 0.34 C ATOM 99 O THR A 7 0.871 8.222 -2.440 1.00 0.33 O ATOM 100 CB THR A 7 -0.307 9.410 -5.421 1.00 0.59 C ATOM 101 OG1 THR A 7 -0.981 10.675 -5.388 1.00 1.30 O ATOM 102 CG2 THR A 7 -0.653 8.679 -6.705 1.00 1.06 C ATOM 0 H THR A 7 -2.598 9.377 -4.634 1.00 0.47 H new ATOM 0 HA THR A 7 -0.541 7.528 -4.373 1.00 0.45 H new ATOM 0 HB THR A 7 0.772 9.561 -5.395 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.719 11.206 -6.169 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.350 9.283 -7.560 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.130 7.723 -6.732 1.00 1.06 H new ATOM 0 HG23 THR A 7 -1.728 8.505 -6.746 1.00 1.06 H new ATOM 110 N ASP A 8 -0.053 10.268 -2.591 1.00 0.41 N ATOM 111 CA ASP A 8 0.718 10.829 -1.485 1.00 0.46 C ATOM 112 C ASP A 8 0.371 10.159 -0.162 1.00 0.40 C ATOM 113 O ASP A 8 1.203 10.104 0.742 1.00 0.48 O ATOM 114 CB ASP A 8 0.513 12.341 -1.388 1.00 0.64 C ATOM 115 CG ASP A 8 1.169 13.081 -2.538 1.00 1.36 C ATOM 116 OD1 ASP A 8 2.409 13.230 -2.525 1.00 1.63 O ATOM 117 OD2 ASP A 8 0.448 13.516 -3.458 1.00 2.19 O ATOM 0 H ASP A 8 -0.716 10.918 -3.013 1.00 0.41 H new ATOM 0 HA ASP A 8 1.770 10.634 -1.692 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.554 12.562 -1.377 1.00 0.64 H new ATOM 0 HB3 ASP A 8 0.922 12.702 -0.445 1.00 0.64 H new ATOM 122 N ASP A 9 -0.844 9.642 -0.048 1.00 0.40 N ATOM 123 CA ASP A 9 -1.234 8.881 1.135 1.00 0.44 C ATOM 124 C ASP A 9 -0.415 7.608 1.244 1.00 0.38 C ATOM 125 O ASP A 9 0.199 7.342 2.274 1.00 0.44 O ATOM 126 CB ASP A 9 -2.717 8.527 1.108 1.00 0.58 C ATOM 127 CG ASP A 9 -3.601 9.687 1.501 1.00 0.86 C ATOM 128 OD1 ASP A 9 -3.407 10.231 2.602 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.473 10.066 0.690 1.00 1.12 O ATOM 0 H ASP A 9 -1.574 9.733 -0.754 1.00 0.40 H new ATOM 0 HA ASP A 9 -1.044 9.512 2.003 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -2.988 8.192 0.107 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.899 7.692 1.784 1.00 0.58 H new ATOM 134 N LEU A 10 -0.407 6.826 0.172 1.00 0.35 N ATOM 135 CA LEU A 10 0.391 5.608 0.117 1.00 0.37 C ATOM 136 C LEU A 10 1.868 5.964 0.268 1.00 0.37 C ATOM 137 O LEU A 10 2.631 5.280 0.951 1.00 0.42 O ATOM 138 CB LEU A 10 0.148 4.887 -1.213 1.00 0.42 C ATOM 139 CG LEU A 10 0.736 3.477 -1.310 1.00 0.58 C ATOM 140 CD1 LEU A 10 0.006 2.532 -0.367 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.667 2.964 -2.738 1.00 0.79 C ATOM 0 H LEU A 10 -0.946 7.014 -0.673 1.00 0.35 H new ATOM 0 HA LEU A 10 0.101 4.943 0.930 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -0.927 4.827 -1.384 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.565 5.493 -2.017 1.00 0.42 H new ATOM 0 HG LEU A 10 1.784 3.520 -1.014 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.436 1.534 -0.448 1.00 1.08 H new ATOM 0 HD12 LEU A 10 0.109 2.889 0.658 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.050 2.495 -0.634 1.00 1.08 H new ATOM 0 HD21 LEU A 10 1.090 1.961 -2.785 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.373 2.935 -3.064 1.00 0.79 H new ATOM 0 HD23 LEU A 10 1.234 3.628 -3.391 1.00 0.79 H new ATOM 153 N ARG A 11 2.236 7.071 -0.364 1.00 0.37 N ATOM 154 CA ARG A 11 3.575 7.644 -0.285 1.00 0.45 C ATOM 155 C ARG A 11 3.998 7.851 1.174 1.00 0.48 C ATOM 156 O ARG A 11 5.171 7.715 1.515 1.00 0.60 O ATOM 157 CB ARG A 11 3.553 8.977 -1.040 1.00 0.52 C ATOM 158 CG ARG A 11 4.898 9.642 -1.268 1.00 0.67 C ATOM 159 CD ARG A 11 4.695 10.942 -2.034 1.00 0.85 C ATOM 160 NE ARG A 11 5.943 11.534 -2.507 1.00 1.04 N ATOM 161 CZ ARG A 11 6.000 12.634 -3.268 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.886 13.285 -3.603 1.00 1.64 N ATOM 163 NH2 ARG A 11 7.176 13.089 -3.684 1.00 2.17 N ATOM 0 H ARG A 11 1.601 7.606 -0.957 1.00 0.37 H new ATOM 0 HA ARG A 11 4.302 6.966 -0.733 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.083 8.813 -2.010 1.00 0.52 H new ATOM 0 HB3 ARG A 11 2.917 9.671 -0.491 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.384 9.842 -0.313 1.00 0.67 H new ATOM 0 HG3 ARG A 11 5.555 8.976 -1.827 1.00 0.67 H new ATOM 0 HD2 ARG A 11 4.043 10.755 -2.887 1.00 0.85 H new ATOM 0 HD3 ARG A 11 4.182 11.658 -1.392 1.00 0.85 H new ATOM 0 HE ARG A 11 6.820 11.085 -2.243 1.00 1.04 H new ATOM 0 HH11 ARG A 11 3.980 12.946 -3.279 1.00 1.64 H new ATOM 0 HH12 ARG A 11 4.939 14.122 -4.183 1.00 1.64 H new ATOM 0 HH21 ARG A 11 8.033 12.601 -3.424 1.00 2.17 H new ATOM 0 HH22 ARG A 11 7.223 13.927 -4.264 1.00 2.17 H new ATOM 177 N ARG A 12 3.036 8.194 2.030 1.00 0.43 N ATOM 178 CA ARG A 12 3.300 8.357 3.457 1.00 0.46 C ATOM 179 C ARG A 12 3.294 7.011 4.189 1.00 0.44 C ATOM 180 O ARG A 12 4.162 6.752 5.018 1.00 0.46 O ATOM 181 CB ARG A 12 2.271 9.295 4.093 1.00 0.53 C ATOM 182 CG ARG A 12 2.300 10.725 3.562 1.00 0.91 C ATOM 183 CD ARG A 12 3.570 11.468 3.959 1.00 1.49 C ATOM 184 NE ARG A 12 4.760 10.964 3.271 1.00 2.06 N ATOM 185 CZ ARG A 12 5.722 11.750 2.778 1.00 2.93 C ATOM 186 NH1 ARG A 12 5.622 13.072 2.860 1.00 3.32 N ATOM 187 NH2 ARG A 12 6.788 11.221 2.191 1.00 3.66 N ATOM 0 H ARG A 12 2.067 8.364 1.759 1.00 0.43 H new ATOM 0 HA ARG A 12 4.294 8.795 3.554 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.275 8.882 3.933 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.437 9.318 5.170 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.217 10.708 2.475 1.00 0.91 H new ATOM 0 HG3 ARG A 12 1.433 11.267 3.939 1.00 0.91 H new ATOM 0 HD2 ARG A 12 3.450 12.528 3.737 1.00 1.49 H new ATOM 0 HD3 ARG A 12 3.715 11.382 5.036 1.00 1.49 H new ATOM 0 HE ARG A 12 4.861 9.955 3.162 1.00 2.06 H new ATOM 0 HH11 ARG A 12 4.806 13.495 3.302 1.00 3.32 H new ATOM 0 HH12 ARG A 12 6.361 13.664 2.481 1.00 3.32 H new ATOM 0 HH21 ARG A 12 6.877 10.208 2.114 1.00 3.66 H new ATOM 0 HH22 ARG A 12 7.518 11.827 1.817 1.00 3.66 H new ATOM 201 N ALA A 13 2.324 6.157 3.858 1.00 0.43 N ATOM 202 CA ALA A 13 2.089 4.913 4.599 1.00 0.44 C ATOM 203 C ALA A 13 3.298 3.980 4.578 1.00 0.43 C ATOM 204 O ALA A 13 3.623 3.353 5.589 1.00 0.47 O ATOM 205 CB ALA A 13 0.867 4.192 4.050 1.00 0.49 C ATOM 0 H ALA A 13 1.684 6.304 3.077 1.00 0.43 H new ATOM 0 HA ALA A 13 1.914 5.193 5.638 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.706 3.271 4.610 1.00 0.49 H new ATOM 0 HB2 ALA A 13 -0.009 4.834 4.147 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.027 3.954 2.998 1.00 0.49 H new ATOM 211 N LEU A 14 3.958 3.877 3.431 1.00 0.41 N ATOM 212 CA LEU A 14 5.156 3.043 3.328 1.00 0.45 C ATOM 213 C LEU A 14 6.253 3.579 4.242 1.00 0.47 C ATOM 214 O LEU A 14 6.965 2.815 4.892 1.00 0.53 O ATOM 215 CB LEU A 14 5.676 2.975 1.883 1.00 0.49 C ATOM 216 CG LEU A 14 4.979 1.970 0.958 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.031 0.575 1.549 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.541 2.375 0.688 1.00 0.70 C ATOM 0 H LEU A 14 3.692 4.352 2.569 1.00 0.41 H new ATOM 0 HA LEU A 14 4.881 2.035 3.639 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.587 3.967 1.440 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.738 2.733 1.912 1.00 0.49 H new ATOM 0 HG LEU A 14 5.513 1.968 0.008 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.531 -0.123 0.878 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.070 0.273 1.678 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.529 0.571 2.516 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.074 1.643 0.029 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.992 2.418 1.629 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.522 3.355 0.212 1.00 0.70 H new ATOM 230 N VAL A 15 6.352 4.900 4.315 1.00 0.50 N ATOM 231 CA VAL A 15 7.359 5.552 5.140 1.00 0.57 C ATOM 232 C VAL A 15 7.067 5.335 6.621 1.00 0.60 C ATOM 233 O VAL A 15 7.988 5.168 7.420 1.00 0.71 O ATOM 234 CB VAL A 15 7.439 7.067 4.843 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.495 7.737 5.710 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.731 7.299 3.369 1.00 0.60 C ATOM 0 H VAL A 15 5.743 5.544 3.809 1.00 0.50 H new ATOM 0 HA VAL A 15 8.320 5.101 4.894 1.00 0.57 H new ATOM 0 HB VAL A 15 6.475 7.515 5.083 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.531 8.802 5.481 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.243 7.600 6.762 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.468 7.290 5.509 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.785 8.370 3.173 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.682 6.834 3.109 1.00 0.60 H new ATOM 0 HG23 VAL A 15 6.936 6.859 2.767 1.00 0.60 H new ATOM 246 N GLU A 16 5.783 5.313 6.973 1.00 0.59 N ATOM 247 CA GLU A 16 5.373 5.116 8.362 1.00 0.70 C ATOM 248 C GLU A 16 5.925 3.804 8.909 1.00 0.75 C ATOM 249 O GLU A 16 6.409 3.742 10.039 1.00 0.92 O ATOM 250 CB GLU A 16 3.851 5.093 8.493 1.00 0.86 C ATOM 251 CG GLU A 16 3.148 6.346 8.000 1.00 0.96 C ATOM 252 CD GLU A 16 1.667 6.322 8.315 1.00 1.17 C ATOM 253 OE1 GLU A 16 0.956 5.436 7.801 1.00 1.28 O ATOM 254 OE2 GLU A 16 1.216 7.170 9.112 1.00 1.49 O ATOM 0 H GLU A 16 5.010 5.429 6.317 1.00 0.59 H new ATOM 0 HA GLU A 16 5.773 5.953 8.934 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.466 4.236 7.940 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.593 4.938 9.541 1.00 0.86 H new ATOM 0 HG2 GLU A 16 3.603 7.223 8.460 1.00 0.96 H new ATOM 0 HG3 GLU A 16 3.289 6.442 6.923 1.00 0.96 H new ATOM 261 N SER A 17 5.847 2.763 8.100 1.00 0.68 N ATOM 262 CA SER A 17 6.262 1.435 8.524 1.00 0.78 C ATOM 263 C SER A 17 7.776 1.252 8.397 1.00 0.80 C ATOM 264 O SER A 17 8.384 0.507 9.167 1.00 1.05 O ATOM 265 CB SER A 17 5.533 0.382 7.690 1.00 0.81 C ATOM 266 OG SER A 17 4.125 0.585 7.728 1.00 1.25 O ATOM 0 H SER A 17 5.499 2.810 7.142 1.00 0.68 H new ATOM 0 HA SER A 17 6.002 1.316 9.576 1.00 0.78 H new ATOM 0 HB2 SER A 17 5.882 0.425 6.658 1.00 0.81 H new ATOM 0 HB3 SER A 17 5.771 -0.613 8.066 1.00 0.81 H new ATOM 0 HG SER A 17 3.668 -0.276 7.630 1.00 1.25 H new ATOM 272 N ALA A 18 8.382 1.938 7.436 1.00 0.74 N ATOM 273 CA ALA A 18 9.805 1.774 7.167 1.00 0.87 C ATOM 274 C ALA A 18 10.662 2.630 8.098 1.00 1.11 C ATOM 275 O ALA A 18 11.594 2.132 8.731 1.00 1.68 O ATOM 276 CB ALA A 18 10.106 2.119 5.718 1.00 1.09 C ATOM 0 H ALA A 18 7.912 2.612 6.831 1.00 0.74 H new ATOM 0 HA ALA A 18 10.057 0.730 7.352 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.172 1.993 5.528 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.540 1.458 5.061 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.823 3.153 5.524 1.00 1.09 H new ATOM 282 N GLY A 19 10.346 3.918 8.186 1.00 1.18 N ATOM 283 CA GLY A 19 11.179 4.828 8.956 1.00 1.63 C ATOM 284 C GLY A 19 12.532 5.039 8.306 1.00 1.60 C ATOM 285 O GLY A 19 13.514 5.356 8.975 1.00 2.14 O ATOM 0 H GLY A 19 9.534 4.347 7.742 1.00 1.18 H new ATOM 0 HA2 GLY A 19 10.671 5.787 9.058 1.00 1.63 H new ATOM 0 HA3 GLY A 19 11.317 4.432 9.962 1.00 1.63 H new ATOM 289 N GLU A 20 12.582 4.836 7.000 1.00 1.86 N ATOM 290 CA GLU A 20 13.814 4.987 6.246 1.00 2.28 C ATOM 291 C GLU A 20 13.994 6.440 5.821 1.00 2.06 C ATOM 292 O GLU A 20 13.028 7.122 5.472 1.00 2.51 O ATOM 293 CB GLU A 20 13.794 4.055 5.026 1.00 3.28 C ATOM 294 CG GLU A 20 15.036 4.136 4.150 1.00 4.13 C ATOM 295 CD GLU A 20 16.314 3.842 4.906 1.00 4.94 C ATOM 296 OE1 GLU A 20 16.904 4.781 5.482 1.00 5.47 O ATOM 297 OE2 GLU A 20 16.724 2.666 4.937 1.00 5.32 O ATOM 0 H GLU A 20 11.776 4.564 6.437 1.00 1.86 H new ATOM 0 HA GLU A 20 14.659 4.712 6.876 1.00 2.28 H new ATOM 0 HB2 GLU A 20 13.674 3.028 5.371 1.00 3.28 H new ATOM 0 HB3 GLU A 20 12.920 4.291 4.419 1.00 3.28 H new ATOM 0 HG2 GLU A 20 14.938 3.431 3.325 1.00 4.13 H new ATOM 0 HG3 GLU A 20 15.101 5.132 3.712 1.00 4.13 H new ATOM 304 N THR A 21 15.227 6.917 5.877 1.00 2.21 N ATOM 305 CA THR A 21 15.527 8.296 5.525 1.00 2.61 C ATOM 306 C THR A 21 16.728 8.372 4.576 1.00 2.53 C ATOM 307 O THR A 21 17.190 9.454 4.211 1.00 3.19 O ATOM 308 CB THR A 21 15.792 9.137 6.793 1.00 3.61 C ATOM 309 OG1 THR A 21 14.802 8.818 7.777 1.00 3.97 O ATOM 310 CG2 THR A 21 15.732 10.631 6.502 1.00 4.47 C ATOM 0 H THR A 21 16.038 6.369 6.163 1.00 2.21 H new ATOM 0 HA THR A 21 14.658 8.707 5.010 1.00 2.61 H new ATOM 0 HB THR A 21 16.793 8.900 7.153 1.00 3.61 H new ATOM 0 HG1 THR A 21 14.963 9.346 8.587 1.00 3.97 H new ATOM 0 HG21 THR A 21 15.924 11.188 7.419 1.00 4.47 H new ATOM 0 HG22 THR A 21 16.486 10.887 5.757 1.00 4.47 H new ATOM 0 HG23 THR A 21 14.744 10.888 6.121 1.00 4.47 H new ATOM 318 N ASP A 22 17.220 7.216 4.157 1.00 2.22 N ATOM 319 CA ASP A 22 18.332 7.170 3.220 1.00 2.50 C ATOM 320 C ASP A 22 17.835 6.800 1.830 1.00 2.35 C ATOM 321 O ASP A 22 17.973 7.571 0.881 1.00 2.83 O ATOM 322 CB ASP A 22 19.390 6.163 3.678 1.00 3.16 C ATOM 323 CG ASP A 22 20.638 6.218 2.826 1.00 3.77 C ATOM 324 OD1 ASP A 22 20.651 5.612 1.739 1.00 4.40 O ATOM 325 OD2 ASP A 22 21.614 6.884 3.234 1.00 4.01 O ATOM 0 H ASP A 22 16.870 6.303 4.448 1.00 2.22 H new ATOM 0 HA ASP A 22 18.787 8.160 3.186 1.00 2.50 H new ATOM 0 HB2 ASP A 22 19.653 6.362 4.717 1.00 3.16 H new ATOM 0 HB3 ASP A 22 18.972 5.157 3.642 1.00 3.16 H new ATOM 330 N GLY A 23 17.248 5.613 1.726 1.00 2.30 N ATOM 331 CA GLY A 23 16.722 5.149 0.461 1.00 2.50 C ATOM 332 C GLY A 23 15.219 5.299 0.379 1.00 2.18 C ATOM 333 O GLY A 23 14.669 6.305 0.832 1.00 2.54 O ATOM 0 H GLY A 23 17.128 4.962 2.502 1.00 2.30 H new ATOM 0 HA2 GLY A 23 17.186 5.709 -0.351 1.00 2.50 H new ATOM 0 HA3 GLY A 23 16.989 4.102 0.320 1.00 2.50 H new ATOM 337 N THR A 24 14.561 4.282 -0.180 1.00 1.95 N ATOM 338 CA THR A 24 13.110 4.277 -0.368 1.00 2.00 C ATOM 339 C THR A 24 12.622 5.580 -0.996 1.00 1.78 C ATOM 340 O THR A 24 11.905 6.364 -0.369 1.00 1.91 O ATOM 341 CB THR A 24 12.343 4.005 0.953 1.00 2.29 C ATOM 342 OG1 THR A 24 12.736 4.925 1.977 1.00 3.02 O ATOM 343 CG2 THR A 24 12.586 2.582 1.429 1.00 2.19 C ATOM 0 H THR A 24 15.021 3.436 -0.516 1.00 1.95 H new ATOM 0 HA THR A 24 12.896 3.456 -1.053 1.00 2.00 H new ATOM 0 HB THR A 24 11.281 4.140 0.750 1.00 2.29 H new ATOM 0 HG1 THR A 24 13.142 5.717 1.567 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.040 2.410 2.357 1.00 2.19 H new ATOM 0 HG22 THR A 24 12.241 1.880 0.670 1.00 2.19 H new ATOM 0 HG23 THR A 24 13.652 2.433 1.603 1.00 2.19 H new ATOM 351 N ASP A 25 13.044 5.819 -2.232 1.00 1.72 N ATOM 352 CA ASP A 25 12.642 7.019 -2.947 1.00 1.73 C ATOM 353 C ASP A 25 11.193 6.917 -3.409 1.00 1.40 C ATOM 354 O ASP A 25 10.895 6.428 -4.498 1.00 1.55 O ATOM 355 CB ASP A 25 13.572 7.291 -4.136 1.00 2.18 C ATOM 356 CG ASP A 25 13.091 8.450 -4.995 1.00 2.30 C ATOM 357 OD1 ASP A 25 13.017 9.587 -4.484 1.00 2.59 O ATOM 358 OD2 ASP A 25 12.778 8.229 -6.180 1.00 2.76 O ATOM 0 H ASP A 25 13.662 5.199 -2.756 1.00 1.72 H new ATOM 0 HA ASP A 25 12.722 7.860 -2.258 1.00 1.73 H new ATOM 0 HB2 ASP A 25 14.575 7.507 -3.767 1.00 2.18 H new ATOM 0 HB3 ASP A 25 13.645 6.393 -4.750 1.00 2.18 H new ATOM 363 N LEU A 26 10.289 7.339 -2.547 1.00 1.15 N ATOM 364 CA LEU A 26 8.892 7.439 -2.907 1.00 1.01 C ATOM 365 C LEU A 26 8.584 8.876 -3.279 1.00 1.04 C ATOM 366 O LEU A 26 7.858 9.577 -2.573 1.00 1.18 O ATOM 367 CB LEU A 26 7.969 6.974 -1.774 1.00 1.12 C ATOM 368 CG LEU A 26 7.815 5.456 -1.612 1.00 0.89 C ATOM 369 CD1 LEU A 26 9.073 4.836 -1.023 1.00 1.28 C ATOM 370 CD2 LEU A 26 6.603 5.136 -0.750 1.00 1.60 C ATOM 0 H LEU A 26 10.500 7.619 -1.589 1.00 1.15 H new ATOM 0 HA LEU A 26 8.708 6.781 -3.756 1.00 1.01 H new ATOM 0 HB2 LEU A 26 8.344 7.383 -0.836 1.00 1.12 H new ATOM 0 HB3 LEU A 26 6.981 7.404 -1.937 1.00 1.12 H new ATOM 0 HG LEU A 26 7.663 5.023 -2.601 1.00 0.89 H new ATOM 0 HD11 LEU A 26 8.934 3.760 -0.920 1.00 1.28 H new ATOM 0 HD12 LEU A 26 9.918 5.031 -1.683 1.00 1.28 H new ATOM 0 HD13 LEU A 26 9.269 5.272 -0.043 1.00 1.28 H new ATOM 0 HD21 LEU A 26 6.507 4.055 -0.644 1.00 1.60 H new ATOM 0 HD22 LEU A 26 6.727 5.587 0.234 1.00 1.60 H new ATOM 0 HD23 LEU A 26 5.705 5.536 -1.222 1.00 1.60 H new ATOM 382 N SER A 27 9.195 9.327 -4.357 1.00 1.09 N ATOM 383 CA SER A 27 8.990 10.677 -4.837 1.00 1.24 C ATOM 384 C SER A 27 8.533 10.656 -6.293 1.00 1.33 C ATOM 385 O SER A 27 7.553 11.306 -6.654 1.00 1.85 O ATOM 386 CB SER A 27 10.278 11.488 -4.679 1.00 1.39 C ATOM 387 OG SER A 27 10.036 12.879 -4.787 1.00 2.08 O ATOM 0 H SER A 27 9.841 8.773 -4.919 1.00 1.09 H new ATOM 0 HA SER A 27 8.209 11.153 -4.244 1.00 1.24 H new ATOM 0 HB2 SER A 27 10.729 11.271 -3.711 1.00 1.39 H new ATOM 0 HB3 SER A 27 10.996 11.183 -5.440 1.00 1.39 H new ATOM 0 HG SER A 27 10.879 13.367 -4.680 1.00 2.08 H new ATOM 393 N GLY A 28 9.232 9.887 -7.121 1.00 1.34 N ATOM 394 CA GLY A 28 8.869 9.784 -8.523 1.00 1.58 C ATOM 395 C GLY A 28 7.792 8.747 -8.772 1.00 1.41 C ATOM 396 O GLY A 28 6.859 8.597 -7.978 1.00 1.84 O ATOM 0 H GLY A 28 10.043 9.333 -6.847 1.00 1.34 H new ATOM 0 HA2 GLY A 28 8.522 10.755 -8.877 1.00 1.58 H new ATOM 0 HA3 GLY A 28 9.754 9.530 -9.106 1.00 1.58 H new ATOM 400 N ASP A 29 7.917 8.021 -9.872 1.00 1.35 N ATOM 401 CA ASP A 29 6.930 7.012 -10.228 1.00 1.28 C ATOM 402 C ASP A 29 7.215 5.693 -9.518 1.00 1.21 C ATOM 403 O ASP A 29 7.915 4.825 -10.032 1.00 1.84 O ATOM 404 CB ASP A 29 6.846 6.817 -11.753 1.00 1.54 C ATOM 405 CG ASP A 29 8.185 6.580 -12.433 1.00 2.18 C ATOM 406 OD1 ASP A 29 8.998 7.527 -12.500 1.00 2.64 O ATOM 407 OD2 ASP A 29 8.422 5.457 -12.929 1.00 2.77 O ATOM 0 H ASP A 29 8.689 8.111 -10.532 1.00 1.35 H new ATOM 0 HA ASP A 29 5.957 7.370 -9.892 1.00 1.28 H new ATOM 0 HB2 ASP A 29 6.191 5.971 -11.963 1.00 1.54 H new ATOM 0 HB3 ASP A 29 6.380 7.698 -12.194 1.00 1.54 H new ATOM 412 N PHE A 30 6.686 5.568 -8.306 1.00 0.72 N ATOM 413 CA PHE A 30 6.880 4.366 -7.498 1.00 0.64 C ATOM 414 C PHE A 30 5.755 3.356 -7.713 1.00 0.53 C ATOM 415 O PHE A 30 5.943 2.161 -7.504 1.00 0.50 O ATOM 416 CB PHE A 30 6.988 4.732 -6.009 1.00 0.64 C ATOM 417 CG PHE A 30 5.880 5.621 -5.504 1.00 0.57 C ATOM 418 CD1 PHE A 30 4.646 5.093 -5.147 1.00 0.70 C ATOM 419 CD2 PHE A 30 6.075 6.988 -5.381 1.00 0.76 C ATOM 420 CE1 PHE A 30 3.634 5.912 -4.681 1.00 0.87 C ATOM 421 CE2 PHE A 30 5.067 7.809 -4.916 1.00 0.92 C ATOM 422 CZ PHE A 30 3.844 7.271 -4.566 1.00 0.92 C ATOM 0 H PHE A 30 6.117 6.287 -7.859 1.00 0.72 H new ATOM 0 HA PHE A 30 7.812 3.900 -7.819 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.997 3.814 -5.421 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.943 5.229 -5.838 1.00 0.64 H new ATOM 0 HD1 PHE A 30 4.475 4.030 -5.234 1.00 0.70 H new ATOM 0 HD2 PHE A 30 7.028 7.417 -5.653 1.00 0.76 H new ATOM 0 HE1 PHE A 30 2.679 5.488 -4.407 1.00 0.87 H new ATOM 0 HE2 PHE A 30 5.235 8.872 -4.826 1.00 0.92 H new ATOM 0 HZ PHE A 30 3.054 7.912 -4.203 1.00 0.92 H new ATOM 432 N LEU A 31 4.588 3.846 -8.126 1.00 0.50 N ATOM 433 CA LEU A 31 3.414 2.997 -8.335 1.00 0.45 C ATOM 434 C LEU A 31 3.679 1.866 -9.325 1.00 0.41 C ATOM 435 O LEU A 31 3.056 0.806 -9.250 1.00 0.43 O ATOM 436 CB LEU A 31 2.228 3.829 -8.818 1.00 0.52 C ATOM 437 CG LEU A 31 1.639 4.791 -7.782 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.448 5.534 -8.358 1.00 0.78 C ATOM 439 CD2 LEU A 31 1.233 4.042 -6.522 1.00 0.43 C ATOM 0 H LEU A 31 4.428 4.834 -8.324 1.00 0.50 H new ATOM 0 HA LEU A 31 3.180 2.547 -7.370 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.540 4.405 -9.689 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.441 3.152 -9.150 1.00 0.52 H new ATOM 0 HG LEU A 31 2.408 5.518 -7.520 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.044 6.212 -7.606 1.00 0.78 H new ATOM 0 HD12 LEU A 31 0.763 6.106 -9.231 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.320 4.818 -8.651 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.817 4.744 -5.799 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.483 3.291 -6.771 1.00 0.43 H new ATOM 0 HD23 LEU A 31 2.107 3.553 -6.092 1.00 0.43 H new ATOM 451 N ASP A 32 4.602 2.099 -10.248 1.00 0.41 N ATOM 452 CA ASP A 32 4.866 1.149 -11.321 1.00 0.43 C ATOM 453 C ASP A 32 6.010 0.215 -10.944 1.00 0.42 C ATOM 454 O ASP A 32 6.329 -0.725 -11.671 1.00 0.51 O ATOM 455 CB ASP A 32 5.197 1.898 -12.617 1.00 0.56 C ATOM 456 CG ASP A 32 4.130 2.915 -12.988 1.00 1.39 C ATOM 457 OD1 ASP A 32 3.114 2.517 -13.599 1.00 1.73 O ATOM 458 OD2 ASP A 32 4.298 4.112 -12.671 1.00 2.29 O ATOM 0 H ASP A 32 5.181 2.938 -10.276 1.00 0.41 H new ATOM 0 HA ASP A 32 3.971 0.547 -11.479 1.00 0.43 H new ATOM 0 HB2 ASP A 32 6.155 2.405 -12.505 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.309 1.180 -13.430 1.00 0.56 H new ATOM 463 N LEU A 33 6.632 0.480 -9.806 1.00 0.43 N ATOM 464 CA LEU A 33 7.702 -0.371 -9.305 1.00 0.48 C ATOM 465 C LEU A 33 7.123 -1.446 -8.393 1.00 0.42 C ATOM 466 O LEU A 33 6.382 -1.141 -7.461 1.00 0.46 O ATOM 467 CB LEU A 33 8.740 0.464 -8.555 1.00 0.56 C ATOM 468 CG LEU A 33 9.416 1.555 -9.385 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.354 2.375 -8.518 1.00 1.23 C ATOM 470 CD2 LEU A 33 10.167 0.939 -10.553 1.00 1.01 C ATOM 0 H LEU A 33 6.414 1.279 -9.210 1.00 0.43 H new ATOM 0 HA LEU A 33 8.196 -0.853 -10.149 1.00 0.48 H new ATOM 0 HB2 LEU A 33 8.257 0.929 -7.696 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.509 -0.204 -8.166 1.00 0.56 H new ATOM 0 HG LEU A 33 8.648 2.219 -9.781 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.827 3.148 -9.124 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.789 2.842 -7.711 1.00 1.23 H new ATOM 0 HD13 LEU A 33 11.120 1.725 -8.095 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.644 1.727 -11.136 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.928 0.256 -10.176 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.469 0.391 -11.186 1.00 1.01 H new ATOM 482 N ARG A 34 7.456 -2.699 -8.661 1.00 0.40 N ATOM 483 CA ARG A 34 6.876 -3.821 -7.926 1.00 0.39 C ATOM 484 C ARG A 34 7.392 -3.853 -6.485 1.00 0.36 C ATOM 485 O ARG A 34 8.476 -3.357 -6.203 1.00 0.42 O ATOM 486 CB ARG A 34 7.198 -5.136 -8.644 1.00 0.50 C ATOM 487 CG ARG A 34 6.846 -5.112 -10.123 1.00 0.66 C ATOM 488 CD ARG A 34 6.994 -6.483 -10.760 1.00 0.80 C ATOM 489 NE ARG A 34 8.338 -7.032 -10.584 1.00 1.41 N ATOM 490 CZ ARG A 34 8.588 -8.162 -9.927 1.00 1.84 C ATOM 491 NH1 ARG A 34 7.583 -8.847 -9.386 1.00 1.72 N ATOM 492 NH2 ARG A 34 9.836 -8.602 -9.803 1.00 2.88 N ATOM 0 H ARG A 34 8.125 -2.969 -9.382 1.00 0.40 H new ATOM 0 HA ARG A 34 5.794 -3.694 -7.891 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.261 -5.352 -8.533 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.655 -5.949 -8.161 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.821 -4.762 -10.247 1.00 0.66 H new ATOM 0 HG3 ARG A 34 7.491 -4.400 -10.639 1.00 0.66 H new ATOM 0 HD2 ARG A 34 6.265 -7.165 -10.323 1.00 0.80 H new ATOM 0 HD3 ARG A 34 6.768 -6.414 -11.824 1.00 0.80 H new ATOM 0 HE ARG A 34 9.125 -6.522 -10.986 1.00 1.41 H new ATOM 0 HH11 ARG A 34 6.626 -8.505 -9.476 1.00 1.72 H new ATOM 0 HH12 ARG A 34 7.770 -9.714 -8.882 1.00 1.72 H new ATOM 0 HH21 ARG A 34 10.606 -8.073 -10.212 1.00 2.88 H new ATOM 0 HH22 ARG A 34 10.024 -9.469 -9.299 1.00 2.88 H new ATOM 506 N PHE A 35 6.604 -4.430 -5.578 1.00 0.36 N ATOM 507 CA PHE A 35 6.952 -4.473 -4.152 1.00 0.39 C ATOM 508 C PHE A 35 8.332 -5.080 -3.908 1.00 0.46 C ATOM 509 O PHE A 35 9.166 -4.490 -3.219 1.00 0.49 O ATOM 510 CB PHE A 35 5.895 -5.245 -3.364 1.00 0.45 C ATOM 511 CG PHE A 35 4.565 -4.548 -3.295 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.465 -3.275 -2.760 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.418 -5.164 -3.765 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.245 -2.631 -2.694 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.195 -4.526 -3.701 1.00 0.59 C ATOM 516 CZ PHE A 35 2.109 -3.257 -3.164 1.00 0.59 C ATOM 0 H PHE A 35 5.715 -4.877 -5.804 1.00 0.36 H new ATOM 0 HA PHE A 35 6.982 -3.441 -3.803 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.758 -6.225 -3.820 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.260 -5.413 -2.351 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.351 -2.780 -2.390 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.480 -6.156 -4.187 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.180 -1.638 -2.275 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.308 -5.019 -4.070 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.154 -2.755 -3.112 1.00 0.59 H new ATOM 526 N GLU A 36 8.568 -6.265 -4.459 1.00 0.59 N ATOM 527 CA GLU A 36 9.869 -6.924 -4.329 1.00 0.76 C ATOM 528 C GLU A 36 10.977 -6.097 -4.986 1.00 0.71 C ATOM 529 O GLU A 36 12.154 -6.248 -4.666 1.00 0.80 O ATOM 530 CB GLU A 36 9.830 -8.331 -4.928 1.00 1.00 C ATOM 531 CG GLU A 36 9.503 -8.354 -6.410 1.00 1.26 C ATOM 532 CD GLU A 36 9.589 -9.744 -7.003 1.00 1.89 C ATOM 533 OE1 GLU A 36 10.715 -10.249 -7.191 1.00 2.28 O ATOM 534 OE2 GLU A 36 8.533 -10.350 -7.265 1.00 2.60 O ATOM 0 H GLU A 36 7.880 -6.790 -4.999 1.00 0.59 H new ATOM 0 HA GLU A 36 10.092 -7.007 -3.265 1.00 0.76 H new ATOM 0 HB2 GLU A 36 10.796 -8.810 -4.771 1.00 1.00 H new ATOM 0 HB3 GLU A 36 9.089 -8.924 -4.392 1.00 1.00 H new ATOM 0 HG2 GLU A 36 8.499 -7.959 -6.563 1.00 1.26 H new ATOM 0 HG3 GLU A 36 10.189 -7.694 -6.940 1.00 1.26 H new ATOM 541 N ASP A 37 10.585 -5.220 -5.901 1.00 0.65 N ATOM 542 CA ASP A 37 11.528 -4.413 -6.667 1.00 0.74 C ATOM 543 C ASP A 37 11.961 -3.194 -5.859 1.00 0.66 C ATOM 544 O ASP A 37 13.113 -2.764 -5.924 1.00 0.75 O ATOM 545 CB ASP A 37 10.867 -3.983 -7.982 1.00 0.86 C ATOM 546 CG ASP A 37 11.745 -3.105 -8.851 1.00 1.28 C ATOM 547 OD1 ASP A 37 11.812 -1.884 -8.588 1.00 2.03 O ATOM 548 OD2 ASP A 37 12.402 -3.634 -9.772 1.00 1.38 O ATOM 0 H ASP A 37 9.607 -5.048 -6.133 1.00 0.65 H new ATOM 0 HA ASP A 37 12.418 -5.003 -6.888 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.589 -4.873 -8.546 1.00 0.86 H new ATOM 0 HB3 ASP A 37 9.945 -3.448 -7.756 1.00 0.86 H new ATOM 553 N ILE A 38 11.041 -2.657 -5.067 1.00 0.54 N ATOM 554 CA ILE A 38 11.345 -1.518 -4.210 1.00 0.54 C ATOM 555 C ILE A 38 11.864 -1.972 -2.846 1.00 0.50 C ATOM 556 O ILE A 38 12.092 -1.155 -1.955 1.00 0.55 O ATOM 557 CB ILE A 38 10.128 -0.583 -4.022 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.872 -1.393 -3.682 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.907 0.255 -5.270 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.615 -0.558 -3.544 1.00 0.57 C ATOM 0 H ILE A 38 10.080 -2.991 -5.000 1.00 0.54 H new ATOM 0 HA ILE A 38 12.127 -0.953 -4.718 1.00 0.54 H new ATOM 0 HB ILE A 38 10.333 0.089 -3.189 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.714 -2.142 -4.458 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.042 -1.932 -2.750 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.047 0.908 -5.122 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.793 0.860 -5.464 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.723 -0.401 -6.121 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.772 -1.206 -3.303 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.750 0.173 -2.747 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.418 -0.040 -4.482 1.00 0.57 H new ATOM 572 N GLY A 39 12.069 -3.277 -2.707 1.00 0.53 N ATOM 573 CA GLY A 39 12.675 -3.818 -1.505 1.00 0.58 C ATOM 574 C GLY A 39 11.758 -3.780 -0.298 1.00 0.51 C ATOM 575 O GLY A 39 12.180 -3.389 0.789 1.00 0.62 O ATOM 0 H GLY A 39 11.824 -3.974 -3.411 1.00 0.53 H new ATOM 0 HA2 GLY A 39 12.976 -4.849 -1.691 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.582 -3.257 -1.280 1.00 0.58 H new ATOM 579 N TYR A 40 10.506 -4.174 -0.478 1.00 0.47 N ATOM 580 CA TYR A 40 9.577 -4.257 0.643 1.00 0.47 C ATOM 581 C TYR A 40 9.221 -5.704 0.949 1.00 0.55 C ATOM 582 O TYR A 40 8.698 -6.423 0.098 1.00 0.71 O ATOM 583 CB TYR A 40 8.320 -3.424 0.383 1.00 0.47 C ATOM 584 CG TYR A 40 8.491 -1.969 0.762 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.201 -1.536 2.050 1.00 0.49 C ATOM 586 CD2 TYR A 40 8.957 -1.034 -0.155 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.364 -0.213 2.411 1.00 0.53 C ATOM 588 CE2 TYR A 40 9.123 0.290 0.201 1.00 0.52 C ATOM 589 CZ TYR A 40 8.829 0.695 1.484 1.00 0.53 C ATOM 590 OH TYR A 40 8.996 2.014 1.835 1.00 0.61 O ATOM 0 H TYR A 40 10.111 -4.439 -1.380 1.00 0.47 H new ATOM 0 HA TYR A 40 10.074 -3.841 1.519 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.057 -3.491 -0.673 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.487 -3.846 0.946 1.00 0.47 H new ATOM 0 HD1 TYR A 40 7.842 -2.246 2.781 1.00 0.49 H new ATOM 0 HD2 TYR A 40 9.193 -1.348 -1.161 1.00 0.48 H new ATOM 0 HE1 TYR A 40 8.128 0.109 3.415 1.00 0.53 H new ATOM 0 HE2 TYR A 40 9.482 1.005 -0.524 1.00 0.52 H new ATOM 0 HH TYR A 40 9.332 2.518 1.064 1.00 0.61 H new ATOM 600 N ASP A 41 9.525 -6.120 2.176 1.00 0.58 N ATOM 601 CA ASP A 41 9.298 -7.493 2.608 1.00 0.71 C ATOM 602 C ASP A 41 7.824 -7.739 2.900 1.00 0.66 C ATOM 603 O ASP A 41 7.053 -6.795 3.090 1.00 0.93 O ATOM 604 CB ASP A 41 10.102 -7.805 3.875 1.00 0.89 C ATOM 605 CG ASP A 41 11.599 -7.644 3.695 1.00 1.40 C ATOM 606 OD1 ASP A 41 12.259 -8.607 3.257 1.00 1.82 O ATOM 607 OD2 ASP A 41 12.125 -6.556 4.015 1.00 1.93 O ATOM 0 H ASP A 41 9.932 -5.519 2.892 1.00 0.58 H new ATOM 0 HA ASP A 41 9.622 -8.143 1.795 1.00 0.71 H new ATOM 0 HB2 ASP A 41 9.768 -7.149 4.679 1.00 0.89 H new ATOM 0 HB3 ASP A 41 9.889 -8.827 4.188 1.00 0.89 H new ATOM 612 N SER A 42 7.457 -9.016 2.953 1.00 0.63 N ATOM 613 CA SER A 42 6.113 -9.440 3.332 1.00 0.63 C ATOM 614 C SER A 42 5.692 -8.783 4.643 1.00 0.54 C ATOM 615 O SER A 42 4.619 -8.187 4.745 1.00 0.50 O ATOM 616 CB SER A 42 6.108 -10.962 3.482 1.00 0.77 C ATOM 617 OG SER A 42 7.250 -11.359 4.302 1.00 0.91 O ATOM 0 H SER A 42 8.086 -9.789 2.733 1.00 0.63 H new ATOM 0 HA SER A 42 5.404 -9.137 2.561 1.00 0.63 H new ATOM 0 HB2 SER A 42 5.178 -11.292 3.945 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.163 -11.438 2.503 1.00 0.77 H new ATOM 622 N LEU A 43 6.569 -8.895 5.634 1.00 0.57 N ATOM 623 CA LEU A 43 6.350 -8.318 6.955 1.00 0.57 C ATOM 624 C LEU A 43 6.046 -6.823 6.861 1.00 0.48 C ATOM 625 O LEU A 43 5.025 -6.353 7.365 1.00 0.49 O ATOM 626 CB LEU A 43 7.591 -8.550 7.826 1.00 0.68 C ATOM 627 CG LEU A 43 7.485 -8.059 9.270 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.393 -8.811 10.012 1.00 0.90 C ATOM 629 CD2 LEU A 43 8.819 -8.217 9.980 1.00 1.32 C ATOM 0 H LEU A 43 7.456 -9.391 5.543 1.00 0.57 H new ATOM 0 HA LEU A 43 5.488 -8.807 7.408 1.00 0.57 H new ATOM 0 HB2 LEU A 43 7.809 -9.618 7.839 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.441 -8.057 7.355 1.00 0.68 H new ATOM 0 HG LEU A 43 7.222 -7.001 9.257 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.333 -8.447 11.038 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.437 -8.650 9.514 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.624 -9.876 10.018 1.00 0.90 H new ATOM 0 HD21 LEU A 43 8.729 -7.863 11.007 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.108 -9.268 9.982 1.00 1.32 H new ATOM 0 HD23 LEU A 43 9.579 -7.633 9.461 1.00 1.32 H new ATOM 641 N ALA A 44 6.921 -6.085 6.188 1.00 0.44 N ATOM 642 CA ALA A 44 6.768 -4.643 6.064 1.00 0.41 C ATOM 643 C ALA A 44 5.493 -4.284 5.302 1.00 0.34 C ATOM 644 O ALA A 44 4.824 -3.297 5.616 1.00 0.36 O ATOM 645 CB ALA A 44 7.986 -4.046 5.376 1.00 0.47 C ATOM 0 H ALA A 44 7.744 -6.463 5.720 1.00 0.44 H new ATOM 0 HA ALA A 44 6.685 -4.222 7.066 1.00 0.41 H new ATOM 0 HB1 ALA A 44 7.862 -2.967 5.288 1.00 0.47 H new ATOM 0 HB2 ALA A 44 8.878 -4.262 5.964 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.092 -4.481 4.382 1.00 0.47 H new ATOM 651 N LEU A 45 5.158 -5.098 4.312 1.00 0.35 N ATOM 652 CA LEU A 45 3.984 -4.857 3.486 1.00 0.35 C ATOM 653 C LEU A 45 2.702 -5.065 4.290 1.00 0.34 C ATOM 654 O LEU A 45 1.750 -4.291 4.156 1.00 0.36 O ATOM 655 CB LEU A 45 4.020 -5.770 2.254 1.00 0.43 C ATOM 656 CG LEU A 45 2.897 -5.560 1.232 1.00 0.48 C ATOM 657 CD1 LEU A 45 2.843 -4.110 0.780 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.099 -6.480 0.038 1.00 0.74 C ATOM 0 H LEU A 45 5.685 -5.934 4.060 1.00 0.35 H new ATOM 0 HA LEU A 45 3.995 -3.820 3.150 1.00 0.35 H new ATOM 0 HB2 LEU A 45 4.976 -5.629 1.749 1.00 0.43 H new ATOM 0 HB3 LEU A 45 3.988 -6.806 2.592 1.00 0.43 H new ATOM 0 HG LEU A 45 1.947 -5.803 1.708 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.039 -3.985 0.055 1.00 0.75 H new ATOM 0 HD12 LEU A 45 2.659 -3.467 1.641 1.00 0.75 H new ATOM 0 HD13 LEU A 45 3.792 -3.837 0.319 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.296 -6.323 -0.682 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.057 -6.260 -0.433 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.089 -7.517 0.372 1.00 0.74 H new ATOM 670 N MET A 46 2.679 -6.087 5.147 1.00 0.36 N ATOM 671 CA MET A 46 1.494 -6.359 5.960 1.00 0.40 C ATOM 672 C MET A 46 1.315 -5.270 7.017 1.00 0.37 C ATOM 673 O MET A 46 0.192 -4.890 7.346 1.00 0.41 O ATOM 674 CB MET A 46 1.554 -7.748 6.624 1.00 0.49 C ATOM 675 CG MET A 46 2.293 -7.785 7.955 1.00 0.52 C ATOM 676 SD MET A 46 2.172 -9.389 8.770 1.00 1.21 S ATOM 677 CE MET A 46 2.879 -9.003 10.369 1.00 1.26 C ATOM 0 H MET A 46 3.456 -6.731 5.295 1.00 0.36 H new ATOM 0 HA MET A 46 0.632 -6.356 5.293 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.536 -8.106 6.779 1.00 0.49 H new ATOM 0 HB3 MET A 46 2.036 -8.444 5.937 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.343 -7.543 7.790 1.00 0.52 H new ATOM 0 HG3 MET A 46 1.888 -7.016 8.613 1.00 0.52 H new ATOM 0 HE1 MET A 46 3.630 -9.750 10.625 1.00 1.26 H new ATOM 0 HE2 MET A 46 3.344 -8.018 10.333 1.00 1.26 H new ATOM 0 HE3 MET A 46 2.093 -9.005 11.124 1.00 1.26 H new ATOM 687 N GLU A 47 2.431 -4.756 7.532 1.00 0.37 N ATOM 688 CA GLU A 47 2.386 -3.658 8.484 1.00 0.42 C ATOM 689 C GLU A 47 1.804 -2.416 7.821 1.00 0.41 C ATOM 690 O GLU A 47 1.000 -1.700 8.416 1.00 0.47 O ATOM 691 CB GLU A 47 3.783 -3.375 9.035 1.00 0.48 C ATOM 692 CG GLU A 47 4.351 -4.513 9.872 1.00 0.62 C ATOM 693 CD GLU A 47 3.609 -4.712 11.183 1.00 1.21 C ATOM 694 OE1 GLU A 47 2.398 -5.010 11.142 1.00 2.20 O ATOM 695 OE2 GLU A 47 4.233 -4.594 12.257 1.00 1.18 O ATOM 0 H GLU A 47 3.370 -5.083 7.305 1.00 0.37 H new ATOM 0 HA GLU A 47 1.742 -3.938 9.318 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.459 -3.175 8.203 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.748 -2.471 9.643 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.311 -5.437 9.294 1.00 0.62 H new ATOM 0 HG3 GLU A 47 5.402 -4.313 10.082 1.00 0.62 H new ATOM 702 N THR A 48 2.208 -2.185 6.577 1.00 0.37 N ATOM 703 CA THR A 48 1.679 -1.088 5.781 1.00 0.42 C ATOM 704 C THR A 48 0.175 -1.256 5.566 1.00 0.40 C ATOM 705 O THR A 48 -0.594 -0.298 5.682 1.00 0.43 O ATOM 706 CB THR A 48 2.389 -1.012 4.416 1.00 0.45 C ATOM 707 OG1 THR A 48 3.810 -0.947 4.611 1.00 0.47 O ATOM 708 CG2 THR A 48 1.934 0.208 3.635 1.00 0.54 C ATOM 0 H THR A 48 2.907 -2.750 6.096 1.00 0.37 H new ATOM 0 HA THR A 48 1.860 -0.162 6.326 1.00 0.42 H new ATOM 0 HB THR A 48 2.133 -1.906 3.848 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.142 -1.824 4.894 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.450 0.239 2.675 1.00 0.54 H new ATOM 0 HG22 THR A 48 0.858 0.152 3.467 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.167 1.110 4.201 1.00 0.54 H new ATOM 716 N ALA A 49 -0.235 -2.481 5.254 1.00 0.40 N ATOM 717 CA ALA A 49 -1.646 -2.800 5.078 1.00 0.39 C ATOM 718 C ALA A 49 -2.448 -2.448 6.328 1.00 0.34 C ATOM 719 O ALA A 49 -3.530 -1.866 6.238 1.00 0.33 O ATOM 720 CB ALA A 49 -1.814 -4.274 4.742 1.00 0.46 C ATOM 0 H ALA A 49 0.394 -3.272 5.117 1.00 0.40 H new ATOM 0 HA ALA A 49 -2.028 -2.202 4.251 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.873 -4.499 4.613 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.280 -4.500 3.819 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.410 -4.880 5.553 1.00 0.46 H new ATOM 726 N ALA A 50 -1.899 -2.792 7.488 1.00 0.37 N ATOM 727 CA ALA A 50 -2.553 -2.526 8.765 1.00 0.40 C ATOM 728 C ALA A 50 -2.733 -1.028 8.968 1.00 0.39 C ATOM 729 O ALA A 50 -3.738 -0.578 9.525 1.00 0.44 O ATOM 730 CB ALA A 50 -1.746 -3.135 9.901 1.00 0.49 C ATOM 0 H ALA A 50 -0.996 -3.259 7.570 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.541 -2.987 8.759 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.242 -2.931 10.850 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.669 -4.213 9.756 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.747 -2.698 9.913 1.00 0.49 H new ATOM 736 N ARG A 51 -1.748 -0.263 8.504 1.00 0.37 N ATOM 737 CA ARG A 51 -1.812 1.191 8.553 1.00 0.44 C ATOM 738 C ARG A 51 -3.032 1.679 7.779 1.00 0.40 C ATOM 739 O ARG A 51 -3.796 2.507 8.268 1.00 0.52 O ATOM 740 CB ARG A 51 -0.545 1.807 7.951 1.00 0.52 C ATOM 741 CG ARG A 51 0.741 1.417 8.669 1.00 0.68 C ATOM 742 CD ARG A 51 0.788 1.939 10.094 1.00 0.95 C ATOM 743 NE ARG A 51 0.967 3.392 10.153 1.00 1.47 N ATOM 744 CZ ARG A 51 1.567 4.025 11.162 1.00 1.90 C ATOM 745 NH1 ARG A 51 2.091 3.333 12.166 1.00 1.94 N ATOM 746 NH2 ARG A 51 1.665 5.347 11.154 1.00 2.86 N ATOM 0 H ARG A 51 -0.892 -0.631 8.088 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.891 1.499 9.595 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.470 1.507 6.906 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.641 2.893 7.965 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.833 0.331 8.679 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.596 1.804 8.114 1.00 0.68 H new ATOM 0 HD2 ARG A 51 -0.135 1.669 10.607 1.00 0.95 H new ATOM 0 HD3 ARG A 51 1.604 1.453 10.629 1.00 0.95 H new ATOM 0 HE ARG A 51 0.612 3.952 9.378 1.00 1.47 H new ATOM 0 HH11 ARG A 51 2.035 2.315 12.167 1.00 1.94 H new ATOM 0 HH12 ARG A 51 2.549 3.820 12.936 1.00 1.94 H new ATOM 0 HH21 ARG A 51 1.281 5.882 10.375 1.00 2.86 H new ATOM 0 HH22 ARG A 51 2.124 5.829 11.927 1.00 2.86 H new ATOM 760 N LEU A 52 -3.213 1.134 6.578 1.00 0.32 N ATOM 761 CA LEU A 52 -4.317 1.520 5.703 1.00 0.31 C ATOM 762 C LEU A 52 -5.662 1.140 6.311 1.00 0.27 C ATOM 763 O LEU A 52 -6.589 1.950 6.334 1.00 0.30 O ATOM 764 CB LEU A 52 -4.164 0.858 4.328 1.00 0.35 C ATOM 765 CG LEU A 52 -2.853 1.161 3.602 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.751 0.353 2.320 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.745 2.648 3.305 1.00 0.56 C ATOM 0 H LEU A 52 -2.603 0.417 6.186 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.286 2.603 5.587 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -4.252 -0.222 4.450 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.993 1.176 3.695 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.025 0.876 4.252 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.811 0.583 1.819 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.785 -0.710 2.557 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.584 0.606 1.664 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.807 2.849 2.788 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.579 2.955 2.674 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.771 3.209 4.239 1.00 0.56 H new ATOM 779 N GLU A 53 -5.753 -0.089 6.818 1.00 0.25 N ATOM 780 CA GLU A 53 -7.000 -0.608 7.378 1.00 0.26 C ATOM 781 C GLU A 53 -7.546 0.302 8.473 1.00 0.30 C ATOM 782 O GLU A 53 -8.648 0.836 8.353 1.00 0.36 O ATOM 783 CB GLU A 53 -6.797 -2.017 7.945 1.00 0.27 C ATOM 784 CG GLU A 53 -6.548 -3.085 6.891 1.00 0.32 C ATOM 785 CD GLU A 53 -6.324 -4.457 7.504 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.242 -4.684 8.096 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.221 -5.317 7.391 1.00 0.48 O ATOM 0 H GLU A 53 -4.974 -0.746 6.852 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.724 -0.645 6.564 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.954 -2.000 8.635 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.678 -2.293 8.525 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.399 -3.127 6.211 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.678 -2.809 6.295 1.00 0.32 H new ATOM 794 N SER A 54 -6.766 0.488 9.528 1.00 0.36 N ATOM 795 CA SER A 54 -7.205 1.284 10.663 1.00 0.46 C ATOM 796 C SER A 54 -7.334 2.768 10.297 1.00 0.43 C ATOM 797 O SER A 54 -8.054 3.514 10.962 1.00 0.53 O ATOM 798 CB SER A 54 -6.245 1.110 11.845 1.00 0.59 C ATOM 799 OG SER A 54 -6.683 1.848 12.972 1.00 1.42 O ATOM 0 H SER A 54 -5.828 0.099 9.621 1.00 0.36 H new ATOM 0 HA SER A 54 -8.193 0.925 10.953 1.00 0.46 H new ATOM 0 HB2 SER A 54 -6.171 0.054 12.105 1.00 0.59 H new ATOM 0 HB3 SER A 54 -5.246 1.438 11.557 1.00 0.59 H new ATOM 0 HG SER A 54 -6.054 1.719 13.712 1.00 1.42 H new ATOM 805 N ARG A 55 -6.646 3.196 9.241 1.00 0.37 N ATOM 806 CA ARG A 55 -6.664 4.601 8.853 1.00 0.40 C ATOM 807 C ARG A 55 -7.958 4.957 8.124 1.00 0.40 C ATOM 808 O ARG A 55 -8.601 5.960 8.429 1.00 0.47 O ATOM 809 CB ARG A 55 -5.465 4.944 7.960 1.00 0.47 C ATOM 810 CG ARG A 55 -5.331 6.432 7.686 1.00 0.66 C ATOM 811 CD ARG A 55 -4.120 6.753 6.825 1.00 0.87 C ATOM 812 NE ARG A 55 -4.004 8.192 6.585 1.00 1.14 N ATOM 813 CZ ARG A 55 -3.662 8.728 5.418 1.00 1.64 C ATOM 814 NH1 ARG A 55 -3.250 7.956 4.425 1.00 1.89 N ATOM 815 NH2 ARG A 55 -3.698 10.044 5.247 1.00 2.42 N ATOM 0 H ARG A 55 -6.075 2.596 8.645 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.602 5.187 9.770 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.552 4.585 8.435 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.562 4.414 7.013 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.233 6.790 7.189 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -5.254 6.968 8.632 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -3.216 6.390 7.315 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -4.199 6.229 5.873 1.00 0.87 H new ATOM 0 HE ARG A 55 -4.198 8.823 7.362 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -3.194 6.946 4.554 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -2.988 8.371 3.531 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -3.989 10.650 6.014 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -3.434 10.449 4.349 1.00 2.42 H new ATOM 829 N TYR A 56 -8.338 4.127 7.166 1.00 0.38 N ATOM 830 CA TYR A 56 -9.499 4.414 6.335 1.00 0.46 C ATOM 831 C TYR A 56 -10.749 3.737 6.875 1.00 0.51 C ATOM 832 O TYR A 56 -11.863 4.091 6.495 1.00 0.71 O ATOM 833 CB TYR A 56 -9.239 3.977 4.894 1.00 0.52 C ATOM 834 CG TYR A 56 -8.096 4.721 4.252 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.246 6.032 3.820 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.865 4.108 4.077 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.200 6.709 3.230 1.00 0.85 C ATOM 838 CE2 TYR A 56 -5.814 4.779 3.490 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.001 6.102 3.070 1.00 0.91 C ATOM 840 OH TYR A 56 -4.939 6.746 2.488 1.00 1.08 O ATOM 0 H TYR A 56 -7.863 3.252 6.944 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.668 5.491 6.355 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -9.025 2.908 4.877 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.143 4.131 4.304 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.196 6.529 3.948 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.727 3.089 4.406 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -7.338 7.726 2.895 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.860 4.292 3.356 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.219 7.637 2.192 1.00 1.08 H new ATOM 850 N GLY A 57 -10.566 2.779 7.771 1.00 0.41 N ATOM 851 CA GLY A 57 -11.694 2.045 8.307 1.00 0.46 C ATOM 852 C GLY A 57 -12.088 0.898 7.405 1.00 0.43 C ATOM 853 O GLY A 57 -13.265 0.716 7.088 1.00 0.58 O ATOM 0 H GLY A 57 -9.657 2.496 8.137 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.443 1.662 9.296 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.542 2.719 8.432 1.00 0.46 H new ATOM 857 N VAL A 58 -11.090 0.131 6.988 1.00 0.32 N ATOM 858 CA VAL A 58 -11.295 -0.982 6.072 1.00 0.33 C ATOM 859 C VAL A 58 -10.663 -2.255 6.622 1.00 0.33 C ATOM 860 O VAL A 58 -10.259 -2.306 7.787 1.00 0.34 O ATOM 861 CB VAL A 58 -10.702 -0.700 4.665 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.331 0.532 4.042 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.186 -0.546 4.727 1.00 0.30 C ATOM 0 H VAL A 58 -10.120 0.262 7.274 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.373 -1.109 5.976 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.934 -1.559 4.035 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.896 0.704 3.058 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.406 0.381 3.942 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -11.144 1.397 4.678 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.799 -0.349 3.727 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.931 0.285 5.385 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.743 -1.464 5.114 1.00 0.30 H new ATOM 873 N SER A 59 -10.591 -3.277 5.782 1.00 0.39 N ATOM 874 CA SER A 59 -9.886 -4.499 6.113 1.00 0.49 C ATOM 875 C SER A 59 -9.533 -5.236 4.827 1.00 0.48 C ATOM 876 O SER A 59 -10.349 -5.328 3.910 1.00 0.51 O ATOM 877 CB SER A 59 -10.730 -5.389 7.032 1.00 0.65 C ATOM 878 OG SER A 59 -9.953 -6.457 7.550 1.00 1.62 O ATOM 0 H SER A 59 -11.019 -3.280 4.856 1.00 0.39 H new ATOM 0 HA SER A 59 -8.971 -4.248 6.650 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.132 -4.795 7.852 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.581 -5.787 6.479 1.00 0.65 H new ATOM 0 HG SER A 59 -9.007 -6.203 7.550 1.00 1.62 H new ATOM 884 N ILE A 60 -8.309 -5.726 4.750 1.00 0.46 N ATOM 885 CA ILE A 60 -7.851 -6.443 3.567 1.00 0.46 C ATOM 886 C ILE A 60 -8.004 -7.949 3.773 1.00 0.54 C ATOM 887 O ILE A 60 -7.514 -8.497 4.762 1.00 0.60 O ATOM 888 CB ILE A 60 -6.383 -6.089 3.234 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.250 -4.569 3.040 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.918 -6.837 1.990 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.857 -4.116 2.656 1.00 0.45 C ATOM 0 H ILE A 60 -7.612 -5.642 5.490 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.469 -6.137 2.723 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.746 -6.396 4.064 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.950 -4.249 2.269 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.542 -4.068 3.963 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.883 -6.574 1.773 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.991 -7.911 2.163 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.547 -6.562 1.144 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.846 -3.032 2.538 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.153 -4.403 3.437 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.568 -4.586 1.716 1.00 0.45 H new ATOM 903 N PRO A 61 -8.725 -8.628 2.860 1.00 0.59 N ATOM 904 CA PRO A 61 -8.989 -10.070 2.964 1.00 0.69 C ATOM 905 C PRO A 61 -7.712 -10.902 2.892 1.00 0.62 C ATOM 906 O PRO A 61 -6.776 -10.566 2.159 1.00 0.57 O ATOM 907 CB PRO A 61 -9.893 -10.367 1.761 1.00 0.81 C ATOM 908 CG PRO A 61 -10.413 -9.042 1.323 1.00 0.79 C ATOM 909 CD PRO A 61 -9.342 -8.047 1.659 1.00 0.62 C ATOM 0 HA PRO A 61 -9.442 -10.327 3.921 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.336 -10.855 0.961 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.707 -11.037 2.037 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.626 -9.040 0.254 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.345 -8.800 1.834 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.623 -7.937 0.847 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.756 -7.058 1.855 1.00 0.62 H new ATOM 917 N ASP A 62 -7.707 -12.002 3.640 1.00 0.76 N ATOM 918 CA ASP A 62 -6.537 -12.867 3.775 1.00 0.82 C ATOM 919 C ASP A 62 -6.058 -13.385 2.422 1.00 0.67 C ATOM 920 O ASP A 62 -4.856 -13.467 2.164 1.00 0.77 O ATOM 921 CB ASP A 62 -6.868 -14.064 4.675 1.00 1.11 C ATOM 922 CG ASP A 62 -7.382 -13.661 6.042 1.00 1.39 C ATOM 923 OD1 ASP A 62 -8.526 -13.168 6.130 1.00 1.99 O ATOM 924 OD2 ASP A 62 -6.640 -13.820 7.033 1.00 1.96 O ATOM 0 H ASP A 62 -8.517 -12.320 4.172 1.00 0.76 H new ATOM 0 HA ASP A 62 -5.741 -12.269 4.219 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -7.616 -14.685 4.182 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -5.975 -14.677 4.796 1.00 1.11 H new ATOM 929 N ASP A 63 -7.002 -13.741 1.563 1.00 0.66 N ATOM 930 CA ASP A 63 -6.674 -14.337 0.272 1.00 0.71 C ATOM 931 C ASP A 63 -6.369 -13.275 -0.770 1.00 0.58 C ATOM 932 O ASP A 63 -5.381 -13.373 -1.499 1.00 0.62 O ATOM 933 CB ASP A 63 -7.826 -15.207 -0.224 1.00 0.96 C ATOM 934 CG ASP A 63 -8.103 -16.391 0.677 1.00 1.67 C ATOM 935 OD1 ASP A 63 -7.461 -17.447 0.491 1.00 2.03 O ATOM 936 OD2 ASP A 63 -8.942 -16.267 1.590 1.00 2.44 O ATOM 0 H ASP A 63 -8.001 -13.628 1.735 1.00 0.66 H new ATOM 0 HA ASP A 63 -5.785 -14.951 0.416 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -8.727 -14.598 -0.302 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -7.597 -15.567 -1.227 1.00 0.96 H new ATOM 941 N VAL A 64 -7.206 -12.245 -0.818 1.00 0.57 N ATOM 942 CA VAL A 64 -7.110 -11.223 -1.860 1.00 0.58 C ATOM 943 C VAL A 64 -5.868 -10.349 -1.661 1.00 0.53 C ATOM 944 O VAL A 64 -5.457 -9.615 -2.559 1.00 0.59 O ATOM 945 CB VAL A 64 -8.385 -10.343 -1.906 1.00 0.73 C ATOM 946 CG1 VAL A 64 -8.362 -9.397 -3.102 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.630 -11.218 -1.949 1.00 1.14 C ATOM 0 H VAL A 64 -7.960 -12.093 -0.148 1.00 0.57 H new ATOM 0 HA VAL A 64 -7.019 -11.740 -2.815 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.408 -9.738 -0.999 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -9.270 -8.794 -3.106 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -7.492 -8.744 -3.032 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -8.308 -9.977 -4.023 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.518 -10.586 -1.981 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.601 -11.849 -2.838 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.664 -11.847 -1.059 1.00 1.14 H new ATOM 957 N ALA A 65 -5.258 -10.452 -0.487 1.00 0.52 N ATOM 958 CA ALA A 65 -4.007 -9.748 -0.210 1.00 0.58 C ATOM 959 C ALA A 65 -2.897 -10.213 -1.149 1.00 0.56 C ATOM 960 O ALA A 65 -2.070 -9.426 -1.608 1.00 0.68 O ATOM 961 CB ALA A 65 -3.594 -9.953 1.239 1.00 0.67 C ATOM 0 H ALA A 65 -5.606 -11.015 0.289 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.172 -8.684 -0.381 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -2.661 -9.423 1.430 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.372 -9.567 1.897 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.452 -11.017 1.430 1.00 0.67 H new ATOM 967 N GLY A 66 -2.913 -11.497 -1.463 1.00 0.50 N ATOM 968 CA GLY A 66 -1.879 -12.075 -2.302 1.00 0.56 C ATOM 969 C GLY A 66 -2.281 -12.117 -3.762 1.00 0.58 C ATOM 970 O GLY A 66 -2.158 -13.148 -4.417 1.00 0.77 O ATOM 0 H GLY A 66 -3.627 -12.156 -1.151 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.962 -11.495 -2.196 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.658 -13.086 -1.959 1.00 0.56 H new ATOM 974 N ARG A 67 -2.767 -10.990 -4.275 1.00 0.55 N ATOM 975 CA ARG A 67 -3.207 -10.905 -5.664 1.00 0.63 C ATOM 976 C ARG A 67 -2.670 -9.643 -6.325 1.00 0.58 C ATOM 977 O ARG A 67 -3.123 -9.250 -7.403 1.00 0.78 O ATOM 978 CB ARG A 67 -4.739 -10.918 -5.740 1.00 0.77 C ATOM 979 CG ARG A 67 -5.368 -12.249 -5.358 1.00 0.93 C ATOM 980 CD ARG A 67 -4.962 -13.361 -6.316 1.00 1.10 C ATOM 981 NE ARG A 67 -5.397 -13.097 -7.689 1.00 1.82 N ATOM 982 CZ ARG A 67 -5.666 -14.046 -8.583 1.00 2.63 C ATOM 983 NH1 ARG A 67 -5.535 -15.327 -8.265 1.00 2.86 N ATOM 984 NH2 ARG A 67 -6.084 -13.703 -9.799 1.00 3.63 N ATOM 0 H ARG A 67 -2.866 -10.122 -3.749 1.00 0.55 H new ATOM 0 HA ARG A 67 -2.815 -11.772 -6.196 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -5.131 -10.141 -5.084 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -5.044 -10.662 -6.755 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -5.069 -12.515 -4.344 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -6.454 -12.150 -5.354 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -3.878 -13.477 -6.296 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -5.390 -14.304 -5.977 1.00 1.10 H new ATOM 0 HE ARG A 67 -5.500 -12.125 -7.979 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -5.226 -15.591 -7.329 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -5.743 -16.048 -8.956 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -6.196 -12.718 -10.041 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -6.292 -14.425 -10.489 1.00 3.63 H new ATOM 998 N VAL A 68 -1.686 -9.022 -5.684 1.00 0.50 N ATOM 999 CA VAL A 68 -1.092 -7.792 -6.195 1.00 0.48 C ATOM 1000 C VAL A 68 0.424 -7.838 -6.043 1.00 0.54 C ATOM 1001 O VAL A 68 0.940 -8.508 -5.143 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.635 -6.536 -5.465 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.135 -6.388 -5.680 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.311 -6.584 -3.977 1.00 0.89 C ATOM 0 H VAL A 68 -1.282 -9.351 -4.807 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.363 -7.719 -7.248 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.140 -5.664 -5.892 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.491 -5.500 -5.158 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.342 -6.290 -6.746 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.647 -7.268 -5.290 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.703 -5.691 -3.490 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.767 -7.469 -3.534 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.230 -6.626 -3.841 1.00 0.89 H new ATOM 1014 N ASP A 69 1.137 -7.146 -6.923 1.00 0.38 N ATOM 1015 CA ASP A 69 2.590 -7.097 -6.841 1.00 0.43 C ATOM 1016 C ASP A 69 3.107 -5.681 -7.059 1.00 0.34 C ATOM 1017 O ASP A 69 4.305 -5.418 -6.907 1.00 0.41 O ATOM 1018 CB ASP A 69 3.232 -8.064 -7.846 1.00 0.65 C ATOM 1019 CG ASP A 69 3.030 -7.671 -9.301 1.00 0.97 C ATOM 1020 OD1 ASP A 69 1.997 -8.060 -9.892 1.00 1.65 O ATOM 1021 OD2 ASP A 69 3.923 -7.014 -9.871 1.00 1.75 O ATOM 0 H ASP A 69 0.736 -6.615 -7.696 1.00 0.38 H new ATOM 0 HA ASP A 69 2.873 -7.410 -5.836 1.00 0.43 H new ATOM 0 HB2 ASP A 69 4.301 -8.126 -7.642 1.00 0.65 H new ATOM 0 HB3 ASP A 69 2.820 -9.061 -7.689 1.00 0.65 H new ATOM 1026 N THR A 70 2.204 -4.766 -7.386 1.00 0.34 N ATOM 1027 CA THR A 70 2.561 -3.368 -7.562 1.00 0.31 C ATOM 1028 C THR A 70 1.676 -2.473 -6.699 1.00 0.28 C ATOM 1029 O THR A 70 0.507 -2.789 -6.457 1.00 0.28 O ATOM 1030 CB THR A 70 2.437 -2.935 -9.037 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.108 -3.176 -9.513 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.438 -3.676 -9.908 1.00 0.44 C ATOM 0 H THR A 70 1.216 -4.970 -7.535 1.00 0.34 H new ATOM 0 HA THR A 70 3.600 -3.260 -7.252 1.00 0.31 H new ATOM 0 HB THR A 70 2.652 -1.868 -9.095 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.856 -4.104 -9.325 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.329 -3.352 -10.943 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.450 -3.460 -9.564 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.254 -4.748 -9.842 1.00 0.44 H new ATOM 1040 N PRO A 71 2.225 -1.341 -6.218 1.00 0.29 N ATOM 1041 CA PRO A 71 1.475 -0.353 -5.426 1.00 0.29 C ATOM 1042 C PRO A 71 0.241 0.158 -6.159 1.00 0.27 C ATOM 1043 O PRO A 71 -0.784 0.452 -5.542 1.00 0.28 O ATOM 1044 CB PRO A 71 2.478 0.790 -5.234 1.00 0.34 C ATOM 1045 CG PRO A 71 3.812 0.150 -5.375 1.00 0.38 C ATOM 1046 CD PRO A 71 3.632 -0.941 -6.393 1.00 0.35 C ATOM 0 HA PRO A 71 1.106 -0.780 -4.494 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.334 1.573 -5.979 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.364 1.256 -4.255 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.560 0.872 -5.702 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.155 -0.255 -4.423 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.825 -0.583 -7.404 1.00 0.35 H new ATOM 0 HD3 PRO A 71 4.312 -1.774 -6.214 1.00 0.35 H new ATOM 1054 N ARG A 72 0.360 0.267 -7.479 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.734 0.728 -8.328 1.00 0.37 C ATOM 1056 C ARG A 72 -1.987 -0.116 -8.090 1.00 0.35 C ATOM 1057 O ARG A 72 -3.086 0.418 -7.944 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.315 0.654 -9.804 1.00 0.49 C ATOM 1059 CG ARG A 72 -0.948 1.713 -10.700 1.00 0.83 C ATOM 1060 CD ARG A 72 -2.443 1.511 -10.876 1.00 1.15 C ATOM 1061 NE ARG A 72 -3.035 2.565 -11.698 1.00 1.76 N ATOM 1062 CZ ARG A 72 -4.342 2.808 -11.780 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -5.204 2.072 -11.085 1.00 3.22 N ATOM 1064 NH2 ARG A 72 -4.784 3.788 -12.558 1.00 3.56 N ATOM 0 H ARG A 72 1.214 0.039 -7.989 1.00 0.32 H new ATOM 0 HA ARG A 72 -0.963 1.763 -8.075 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.769 0.747 -9.865 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.573 -0.332 -10.192 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -0.766 2.700 -10.274 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -0.465 1.693 -11.677 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -2.628 0.541 -11.338 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -2.926 1.496 -9.899 1.00 1.15 H new ATOM 0 HE ARG A 72 -2.406 3.153 -12.245 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -4.865 1.319 -10.487 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -6.204 2.261 -11.150 1.00 3.22 H new ATOM 0 HH21 ARG A 72 -4.123 4.353 -13.091 1.00 3.56 H new ATOM 0 HH22 ARG A 72 -5.784 3.976 -12.623 1.00 3.56 H new ATOM 1078 N GLU A 73 -1.806 -1.430 -8.041 1.00 0.36 N ATOM 1079 CA GLU A 73 -2.914 -2.357 -7.835 1.00 0.39 C ATOM 1080 C GLU A 73 -3.518 -2.181 -6.446 1.00 0.36 C ATOM 1081 O GLU A 73 -4.733 -2.056 -6.298 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.429 -3.794 -8.004 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.848 -4.086 -9.374 1.00 0.56 C ATOM 1084 CD GLU A 73 -1.159 -5.434 -9.433 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -0.089 -5.585 -8.811 1.00 2.43 O ATOM 1086 OE2 GLU A 73 -1.691 -6.343 -10.109 1.00 1.91 O ATOM 0 H GLU A 73 -0.897 -1.881 -8.142 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.682 -2.142 -8.578 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.674 -4.004 -7.247 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.262 -4.473 -7.820 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -2.644 -4.055 -10.118 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.135 -3.305 -9.638 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.649 -2.152 -5.439 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.063 -2.024 -4.044 1.00 0.34 C ATOM 1095 C LEU A 74 -3.897 -0.757 -3.854 1.00 0.33 C ATOM 1096 O LEU A 74 -5.007 -0.802 -3.319 1.00 0.36 O ATOM 1097 CB LEU A 74 -1.814 -1.986 -3.150 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.007 -2.404 -1.683 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -0.657 -2.505 -0.991 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -2.894 -1.417 -0.942 1.00 0.98 C ATOM 0 H LEU A 74 -1.639 -2.216 -5.566 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.678 -2.880 -3.766 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.058 -2.634 -3.593 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.414 -0.972 -3.166 1.00 0.34 H new ATOM 0 HG LEU A 74 -2.497 -3.378 -1.670 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -0.802 -2.802 0.048 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -0.043 -3.249 -1.498 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -0.157 -1.537 -1.026 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.012 -1.739 0.093 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -2.436 -0.428 -0.964 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -3.871 -1.374 -1.422 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.353 0.364 -4.309 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.003 1.663 -4.171 1.00 0.33 C ATOM 1114 C LEU A 75 -5.369 1.664 -4.867 1.00 0.35 C ATOM 1115 O LEU A 75 -6.361 2.142 -4.315 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.084 2.748 -4.751 1.00 0.35 C ATOM 1117 CG LEU A 75 -3.261 4.162 -4.187 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -2.029 4.996 -4.489 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -4.489 4.839 -4.766 1.00 0.91 C ATOM 0 H LEU A 75 -2.451 0.400 -4.783 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.177 1.872 -3.115 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.050 2.442 -4.590 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.240 2.788 -5.829 1.00 0.35 H new ATOM 0 HG LEU A 75 -3.395 4.079 -3.108 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -2.161 6.000 -4.085 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -1.155 4.533 -4.031 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -1.885 5.055 -5.568 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -4.585 5.840 -4.345 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -4.389 4.909 -5.849 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -5.376 4.255 -4.520 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.409 1.102 -6.071 1.00 0.39 N ATOM 1132 CA ASP A 76 -6.629 1.072 -6.881 1.00 0.44 C ATOM 1133 C ASP A 76 -7.720 0.220 -6.231 1.00 0.40 C ATOM 1134 O ASP A 76 -8.880 0.631 -6.150 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.297 0.520 -8.269 1.00 0.55 C ATOM 1136 CG ASP A 76 -7.494 0.468 -9.201 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.196 -0.568 -9.227 1.00 1.43 O ATOM 1138 OD2 ASP A 76 -7.716 1.451 -9.937 1.00 1.16 O ATOM 0 H ASP A 76 -4.605 0.657 -6.513 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.011 2.090 -6.961 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -5.521 1.138 -8.721 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -5.885 -0.483 -8.163 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.327 -0.948 -5.739 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.271 -1.929 -5.216 1.00 0.38 C ATOM 1145 C LEU A 77 -9.057 -1.385 -4.024 1.00 0.34 C ATOM 1146 O LEU A 77 -10.282 -1.511 -3.974 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.532 -3.209 -4.809 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.423 -4.334 -4.273 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -9.421 -4.785 -5.333 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -7.568 -5.504 -3.812 1.00 1.66 C ATOM 0 H LEU A 77 -6.351 -1.241 -5.691 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.982 -2.153 -6.011 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.983 -3.583 -5.673 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.794 -2.957 -4.047 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.985 -3.954 -3.420 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -10.043 -5.584 -4.930 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -10.052 -3.944 -5.620 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.883 -5.150 -6.208 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -8.212 -6.298 -3.433 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.983 -5.880 -4.651 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.895 -5.173 -3.021 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.361 -0.777 -3.073 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.013 -0.276 -1.868 1.00 0.31 C ATOM 1164 C ILE A 78 -9.905 0.927 -2.186 1.00 0.34 C ATOM 1165 O ILE A 78 -10.920 1.154 -1.522 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.985 0.089 -0.770 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.066 -1.107 -0.494 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.694 0.513 0.512 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -6.067 -0.869 0.618 1.00 0.40 C ATOM 0 H ILE A 78 -7.354 -0.619 -3.110 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.640 -1.080 -1.483 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.384 0.927 -1.123 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.678 -1.972 -0.240 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.526 -1.356 -1.407 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.953 0.765 1.271 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.319 1.383 0.311 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.317 -0.306 0.871 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.454 -1.760 0.753 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.428 -0.025 0.359 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.599 -0.651 1.544 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.546 1.669 -3.228 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.342 2.816 -3.659 1.00 0.44 C ATOM 1183 C ASN A 79 -11.678 2.369 -4.226 1.00 0.44 C ATOM 1184 O ASN A 79 -12.698 3.024 -4.011 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.596 3.652 -4.700 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.816 4.790 -4.082 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.323 5.901 -3.938 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -7.580 4.525 -3.703 1.00 0.78 N ATOM 0 H ASN A 79 -8.712 1.499 -3.789 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.519 3.434 -2.779 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -8.914 3.009 -5.256 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.311 4.054 -5.418 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.011 5.254 -3.274 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -7.194 3.591 -3.839 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.668 1.238 -4.932 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.886 0.709 -5.518 1.00 0.47 C ATOM 1197 C GLY A 80 -13.941 0.414 -4.472 1.00 0.48 C ATOM 1198 O GLY A 80 -15.123 0.673 -4.683 1.00 0.54 O ATOM 0 H GLY A 80 -10.833 0.679 -5.108 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.281 1.425 -6.239 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.656 -0.204 -6.068 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.508 -0.095 -3.323 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.428 -0.455 -2.251 1.00 0.56 C ATOM 1204 C ALA A 81 -14.982 0.786 -1.555 1.00 0.61 C ATOM 1205 O ALA A 81 -16.168 0.852 -1.222 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.736 -1.362 -1.246 1.00 0.60 C ATOM 0 H ALA A 81 -12.525 -0.267 -3.111 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.267 -0.992 -2.693 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.434 -1.623 -0.451 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.400 -2.270 -1.747 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.877 -0.844 -0.819 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.120 1.772 -1.342 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.519 3.012 -0.688 1.00 0.64 C ATOM 1214 C LEU A 82 -15.502 3.791 -1.550 1.00 0.70 C ATOM 1215 O LEU A 82 -16.426 4.420 -1.042 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.295 3.878 -0.394 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.302 3.281 0.601 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.076 4.170 0.728 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -12.967 3.090 1.957 1.00 0.85 C ATOM 0 H LEU A 82 -13.137 1.737 -1.613 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.008 2.752 0.251 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.774 4.073 -1.331 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.634 4.841 -0.012 1.00 0.64 H new ATOM 0 HG LEU A 82 -11.981 2.307 0.231 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.379 3.729 1.441 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.591 4.262 -0.244 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.377 5.157 1.078 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.249 2.664 2.658 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.312 4.054 2.332 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -13.817 2.416 1.854 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.304 3.726 -2.863 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.141 4.459 -3.811 1.00 0.71 C ATOM 1233 C ALA A 83 -17.569 3.912 -3.859 1.00 0.85 C ATOM 1234 O ALA A 83 -18.437 4.490 -4.513 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.514 4.435 -5.201 1.00 0.70 C ATOM 0 H ALA A 83 -14.567 3.170 -3.298 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.200 5.491 -3.464 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.149 4.985 -5.896 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.529 4.900 -5.164 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.416 3.403 -5.538 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.812 2.798 -3.177 1.00 0.89 N ATOM 1242 CA GLU A 84 -19.145 2.207 -3.150 1.00 1.11 C ATOM 1243 C GLU A 84 -19.949 2.695 -1.951 1.00 1.29 C ATOM 1244 O GLU A 84 -21.155 2.922 -2.053 1.00 1.58 O ATOM 1245 CB GLU A 84 -19.066 0.680 -3.123 1.00 1.25 C ATOM 1246 CG GLU A 84 -18.377 0.081 -4.330 1.00 1.81 C ATOM 1247 CD GLU A 84 -18.585 -1.412 -4.415 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -17.814 -2.156 -3.775 1.00 2.67 O ATOM 1249 OE2 GLU A 84 -19.508 -1.854 -5.131 1.00 2.39 O ATOM 0 H GLU A 84 -17.110 2.289 -2.640 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.653 2.523 -4.061 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -18.536 0.369 -2.223 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -20.076 0.275 -3.055 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -18.757 0.553 -5.236 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -17.310 0.297 -4.283 1.00 1.81 H new ATOM 1256 N ALA A 85 -19.288 2.861 -0.815 1.00 1.27 N ATOM 1257 CA ALA A 85 -19.983 3.200 0.419 1.00 1.57 C ATOM 1258 C ALA A 85 -19.426 4.466 1.056 1.00 1.83 C ATOM 1259 O ALA A 85 -18.532 4.400 1.901 1.00 2.45 O ATOM 1260 CB ALA A 85 -19.903 2.038 1.396 1.00 1.74 C ATOM 0 H ALA A 85 -18.277 2.767 -0.721 1.00 1.27 H new ATOM 0 HA ALA A 85 -21.026 3.393 0.170 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -20.425 2.300 2.316 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -20.368 1.157 0.953 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -18.858 1.823 1.620 1.00 1.74 H new ATOM 1266 N ALA A 86 -19.958 5.610 0.638 1.00 2.09 N ATOM 1267 CA ALA A 86 -19.545 6.903 1.174 1.00 2.63 C ATOM 1268 C ALA A 86 -20.453 8.012 0.650 1.00 3.28 C ATOM 1269 O ALA A 86 -21.576 8.154 1.174 1.00 3.73 O ATOM 1270 CB ALA A 86 -18.096 7.189 0.812 1.00 3.12 C ATOM 1271 OXT ALA A 86 -20.047 8.721 -0.294 1.00 3.82 O ATOM 0 H ALA A 86 -20.683 5.668 -0.077 1.00 2.09 H new ATOM 0 HA ALA A 86 -19.631 6.870 2.260 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -17.803 8.157 1.219 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -17.456 6.411 1.230 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -17.988 7.204 -0.273 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 7.507 -12.880 4.559 1.00 1.12 P HETATM 1279 O26 SXO A 87 8.856 -13.019 5.310 1.00 1.48 O HETATM 1280 O23 SXO A 87 7.319 -13.641 3.216 1.00 1.45 O HETATM 1281 O27 SXO A 87 6.345 -13.308 5.520 1.00 1.11 O HETATM 1282 C28 SXO A 87 6.144 -12.551 6.758 1.00 1.02 C HETATM 1283 C29 SXO A 87 4.940 -13.101 7.532 1.00 1.15 C HETATM 1284 C30 SXO A 87 4.642 -12.108 8.645 1.00 1.14 C HETATM 1285 C31 SXO A 87 3.729 -13.229 6.600 1.00 1.22 C HETATM 1286 C32 SXO A 87 5.303 -14.500 8.131 1.00 1.49 C HETATM 1287 O33 SXO A 87 6.049 -15.268 7.179 1.00 1.65 O HETATM 1288 C34 SXO A 87 4.051 -15.285 8.542 1.00 1.70 C HETATM 1289 O35 SXO A 87 3.808 -16.380 8.029 1.00 1.95 O HETATM 1290 N36 SXO A 87 3.265 -14.737 9.458 1.00 1.69 N HETATM 1291 C37 SXO A 87 2.038 -15.365 9.952 1.00 1.95 C HETATM 1292 C38 SXO A 87 0.794 -14.835 9.249 1.00 1.97 C HETATM 1293 C39 SXO A 87 0.510 -13.372 9.539 1.00 1.75 C HETATM 1294 O40 SXO A 87 1.066 -12.769 10.460 1.00 2.21 O HETATM 1295 N41 SXO A 87 -0.375 -12.810 8.727 1.00 1.79 N HETATM 1296 C42 SXO A 87 -0.793 -11.418 8.823 1.00 1.94 C HETATM 1297 C43 SXO A 87 -1.369 -10.914 7.513 1.00 1.99 C HETATM 1298 S1 SXO A 87 -0.198 -11.086 6.250 1.00 1.96 S HETATM 1299 C1 SXO A 87 -1.176 -10.519 4.926 1.00 1.93 C HETATM 1300 O1 SXO A 87 -2.362 -10.202 5.026 1.00 2.52 O HETATM 1301 C2 SXO A 87 -0.449 -10.439 3.596 1.00 2.08 C HETATM 1302 C3 SXO A 87 0.721 -9.473 3.625 1.00 1.81 C HETATM 1303 C4 SXO A 87 1.390 -9.356 2.264 1.00 1.94 C HETATM 1304 C5 SXO A 87 0.425 -8.855 1.198 1.00 1.78 C HETATM 1305 C6 SXO A 87 -0.122 -7.474 1.529 1.00 1.64 C HETATM 1306 C7 SXO A 87 -1.042 -6.969 0.433 1.00 1.79 C HETATM 1307 C8 SXO A 87 -1.569 -5.604 0.796 1.00 1.84 C HETATM 0 HO33 SXO A 87 6.053 -14.804 6.316 1.00 1.65 H new HETATM 0 HN41 SXO A 87 -0.787 -13.386 7.993 1.00 1.79 H new HETATM 0 HN36 SXO A 87 3.529 -13.829 9.839 1.00 1.69 H new HETATM 0 H43A SXO A 87 -2.271 -11.473 7.263 1.00 1.99 H new HETATM 0 H42A SXO A 87 -1.538 -11.315 9.612 1.00 1.94 H new HETATM 0 H38A SXO A 87 0.910 -14.968 8.173 1.00 1.97 H new HETATM 0 H37A SXO A 87 2.102 -16.444 9.809 1.00 1.95 H new HETATM 0 H31B SXO A 87 3.476 -12.249 6.195 1.00 1.22 H new HETATM 0 H31A SXO A 87 3.969 -13.909 5.782 1.00 1.22 H new HETATM 0 H30B SXO A 87 5.512 -12.019 9.296 1.00 1.14 H new HETATM 0 H30A SXO A 87 4.411 -11.135 8.212 1.00 1.14 H new HETATM 0 H28A SXO A 87 7.039 -12.609 7.377 1.00 1.02 H new HETATM 0 H8B SXO A 87 -2.124 -5.665 1.732 1.00 1.84 H new HETATM 0 H8A SXO A 87 -0.735 -4.912 0.913 1.00 1.84 H new HETATM 0 H8 SXO A 87 -2.229 -5.247 0.005 1.00 1.84 H new HETATM 0 H7A SXO A 87 -0.503 -6.921 -0.513 1.00 1.79 H new HETATM 0 H7 SXO A 87 -1.871 -7.663 0.293 1.00 1.79 H new HETATM 0 H6A SXO A 87 -0.665 -7.512 2.474 1.00 1.64 H new HETATM 0 H6 SXO A 87 0.704 -6.776 1.664 1.00 1.64 H new HETATM 0 H5A SXO A 87 0.934 -8.822 0.235 1.00 1.78 H new HETATM 0 H5 SXO A 87 -0.402 -9.558 1.098 1.00 1.78 H new HETATM 0 H4A SXO A 87 2.239 -8.676 2.334 1.00 1.94 H new HETATM 0 H43 SXO A 87 -1.659 -9.868 7.612 1.00 1.99 H new HETATM 0 H42 SXO A 87 0.059 -10.801 9.107 1.00 1.94 H new HETATM 0 H4 SXO A 87 1.784 -10.328 1.969 1.00 1.94 H new HETATM 0 H3A SXO A 87 0.374 -8.491 3.945 1.00 1.81 H new HETATM 0 H38 SXO A 87 -0.067 -15.431 9.553 1.00 1.97 H new HETATM 0 H37 SXO A 87 1.949 -15.190 11.024 1.00 1.95 H new HETATM 0 H32 SXO A 87 5.906 -14.324 9.022 1.00 1.49 H new HETATM 0 H31 SXO A 87 2.879 -13.620 7.159 1.00 1.22 H new HETATM 0 H30 SXO A 87 3.789 -12.458 9.226 1.00 1.14 H new HETATM 0 H3 SXO A 87 1.451 -9.808 4.361 1.00 1.81 H new HETATM 0 H2A SXO A 87 -0.089 -11.431 3.323 1.00 2.08 H new HETATM 0 H28 SXO A 87 5.985 -11.498 6.526 1.00 1.02 H new HETATM 0 H2 SXO A 87 -1.151 -10.130 2.821 1.00 2.08 H new