USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 hydrogens (23 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 72:sc= 0.571 USER MOD Set 1.2: A 40 TYR OH : rot 12:sc= -2.85! USER MOD Set 1.3: A 48 THR OG1 : rot 72:sc= 0.0346 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.34 (180deg=0.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -170:sc=-0.00565 USER MOD Single : A 27 SER OG : rot 150:sc= 0.911 USER MOD Single : A 46 MET CE :methyl -131:sc= 0 (180deg=-2.13) USER MOD Single : A 54 SER OG : rot 84:sc= 0.431 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -60:sc= 1.06 USER MOD Single : A 79 ASN : amide:sc= 0.136 X(o=0.14,f=0) USER MOD Single : A 87 SXA O33 : rot -118:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.683 -11.024 2.212 1.00 4.19 N ATOM 2 CA MET A 1 17.887 -10.272 1.871 1.00 3.33 C ATOM 3 C MET A 1 17.492 -8.902 1.379 1.00 2.81 C ATOM 4 O MET A 1 17.443 -7.953 2.153 1.00 3.10 O ATOM 5 CB MET A 1 18.757 -10.993 0.815 1.00 3.38 C ATOM 6 CG MET A 1 19.256 -12.373 1.224 1.00 4.12 C ATOM 7 SD MET A 1 17.948 -13.616 1.292 1.00 4.79 S ATOM 8 CE MET A 1 18.878 -15.043 1.855 1.00 5.54 C ATOM 0 H1 MET A 1 16.873 -12.043 2.124 1.00 4.19 H new ATOM 0 H2 MET A 1 16.404 -10.807 3.190 1.00 4.19 H new ATOM 0 H3 MET A 1 15.913 -10.758 1.565 1.00 4.19 H new ATOM 0 HA MET A 1 18.495 -10.187 2.771 1.00 3.33 H new ATOM 0 HB2 MET A 1 18.180 -11.090 -0.104 1.00 3.38 H new ATOM 0 HB3 MET A 1 19.618 -10.365 0.586 1.00 3.38 H new ATOM 0 HG2 MET A 1 20.021 -12.699 0.519 1.00 4.12 H new ATOM 0 HG3 MET A 1 19.733 -12.304 2.202 1.00 4.12 H new ATOM 0 HE1 MET A 1 18.210 -15.899 1.948 1.00 5.54 H new ATOM 0 HE2 MET A 1 19.664 -15.273 1.135 1.00 5.54 H new ATOM 0 HE3 MET A 1 19.327 -14.826 2.824 1.00 5.54 H new ATOM 20 N ALA A 2 17.161 -8.797 0.109 1.00 2.62 N ATOM 21 CA ALA A 2 16.681 -7.558 -0.432 1.00 2.47 C ATOM 22 C ALA A 2 15.193 -7.537 -0.222 1.00 1.86 C ATOM 23 O ALA A 2 14.454 -8.183 -0.962 1.00 1.91 O ATOM 24 CB ALA A 2 17.024 -7.449 -1.911 1.00 3.03 C ATOM 0 H ALA A 2 17.218 -9.561 -0.564 1.00 2.62 H new ATOM 0 HA ALA A 2 17.151 -6.709 0.064 1.00 2.47 H new ATOM 0 HB1 ALA A 2 16.651 -6.502 -2.302 1.00 3.03 H new ATOM 0 HB2 ALA A 2 18.106 -7.493 -2.038 1.00 3.03 H new ATOM 0 HB3 ALA A 2 16.561 -8.273 -2.454 1.00 3.03 H new ATOM 30 N THR A 3 14.762 -6.862 0.810 1.00 1.56 N ATOM 31 CA THR A 3 13.381 -6.873 1.199 1.00 1.14 C ATOM 32 C THR A 3 12.544 -6.094 0.202 1.00 0.93 C ATOM 33 O THR A 3 12.611 -4.868 0.125 1.00 1.17 O ATOM 34 CB THR A 3 13.248 -6.230 2.590 1.00 1.54 C ATOM 35 OG1 THR A 3 14.231 -6.815 3.461 1.00 1.88 O ATOM 36 CG2 THR A 3 11.857 -6.471 3.172 1.00 1.93 C ATOM 0 H THR A 3 15.361 -6.289 1.404 1.00 1.56 H new ATOM 0 HA THR A 3 13.025 -7.903 1.225 1.00 1.14 H new ATOM 0 HB THR A 3 13.402 -5.155 2.500 1.00 1.54 H new ATOM 0 HG1 THR A 3 14.159 -6.413 4.352 1.00 1.88 H new ATOM 0 HG21 THR A 3 11.789 -6.006 4.156 1.00 1.93 H new ATOM 0 HG22 THR A 3 11.106 -6.036 2.512 1.00 1.93 H new ATOM 0 HG23 THR A 3 11.682 -7.543 3.264 1.00 1.93 H new ATOM 44 N LEU A 4 11.812 -6.821 -0.582 1.00 0.66 N ATOM 45 CA LEU A 4 10.906 -6.269 -1.529 1.00 0.56 C ATOM 46 C LEU A 4 9.551 -6.701 -1.107 1.00 0.50 C ATOM 47 O LEU A 4 9.297 -7.895 -0.990 1.00 0.76 O ATOM 48 CB LEU A 4 11.214 -6.775 -2.938 1.00 0.65 C ATOM 49 CG LEU A 4 12.573 -6.372 -3.505 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.786 -7.014 -4.861 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.672 -4.857 -3.613 1.00 0.86 C ATOM 0 H LEU A 4 11.831 -7.841 -0.578 1.00 0.66 H new ATOM 0 HA LEU A 4 10.986 -5.182 -1.560 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.151 -7.863 -2.935 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.438 -6.412 -3.612 1.00 0.65 H new ATOM 0 HG LEU A 4 13.352 -6.722 -2.828 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.759 -6.719 -5.255 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.750 -8.099 -4.760 1.00 0.96 H new ATOM 0 HD13 LEU A 4 12.003 -6.687 -5.545 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.646 -4.584 -4.019 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.887 -4.487 -4.273 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.553 -4.413 -2.625 1.00 0.86 H new ATOM 63 N LEU A 5 8.701 -5.753 -0.807 1.00 0.36 N ATOM 64 CA LEU A 5 7.386 -6.070 -0.317 1.00 0.36 C ATOM 65 C LEU A 5 6.575 -6.782 -1.361 1.00 0.39 C ATOM 66 O LEU A 5 6.515 -6.353 -2.521 1.00 0.52 O ATOM 67 CB LEU A 5 6.641 -4.844 0.206 1.00 0.42 C ATOM 68 CG LEU A 5 7.299 -4.083 1.355 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.316 -3.100 1.948 1.00 0.61 C ATOM 70 CD2 LEU A 5 7.829 -5.032 2.420 1.00 0.54 C ATOM 0 H LEU A 5 8.896 -4.756 -0.894 1.00 0.36 H new ATOM 0 HA LEU A 5 7.525 -6.741 0.531 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.499 -4.152 -0.624 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.650 -5.160 0.530 1.00 0.42 H new ATOM 0 HG LEU A 5 8.153 -3.534 0.959 1.00 0.51 H new ATOM 0 HD11 LEU A 5 6.791 -2.560 2.767 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.002 -2.392 1.181 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.446 -3.638 2.324 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.291 -4.457 3.223 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.006 -5.622 2.823 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.570 -5.698 1.978 1.00 0.54 H new ATOM 82 N THR A 6 5.979 -7.846 -0.950 1.00 0.36 N ATOM 83 CA THR A 6 5.223 -8.681 -1.802 1.00 0.41 C ATOM 84 C THR A 6 3.736 -8.386 -1.646 1.00 0.30 C ATOM 85 O THR A 6 3.351 -7.424 -0.948 1.00 0.24 O ATOM 86 CB THR A 6 5.490 -10.166 -1.452 1.00 0.56 C ATOM 87 OG1 THR A 6 5.140 -10.412 -0.062 1.00 0.59 O ATOM 88 CG2 THR A 6 6.956 -10.521 -1.674 1.00 0.79 C ATOM 0 H THR A 6 6.008 -8.165 0.018 1.00 0.36 H new ATOM 0 HA THR A 6 5.520 -8.488 -2.833 1.00 0.41 H new ATOM 0 HB THR A 6 4.877 -10.788 -2.105 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.826 -10.026 0.521 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.119 -11.569 -1.421 1.00 0.79 H new ATOM 0 HG22 THR A 6 7.216 -10.355 -2.719 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.582 -9.893 -1.040 1.00 0.79 H new ATOM 96 N THR A 7 2.925 -9.220 -2.266 1.00 0.33 N ATOM 97 CA THR A 7 1.483 -9.174 -2.173 1.00 0.32 C ATOM 98 C THR A 7 1.073 -9.191 -0.691 1.00 0.24 C ATOM 99 O THR A 7 0.379 -8.295 -0.215 1.00 0.26 O ATOM 100 CB THR A 7 0.904 -10.415 -2.898 1.00 0.44 C ATOM 101 OG1 THR A 7 1.353 -10.424 -4.273 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.618 -10.429 -2.858 1.00 0.55 C ATOM 0 H THR A 7 3.264 -9.971 -2.867 1.00 0.33 H new ATOM 0 HA THR A 7 1.099 -8.266 -2.637 1.00 0.32 H new ATOM 0 HB THR A 7 1.262 -11.305 -2.381 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.988 -11.210 -4.731 1.00 0.55 H new ATOM 0 HG21 THR A 7 -0.987 -11.314 -3.376 1.00 0.55 H new ATOM 0 HG22 THR A 7 -0.955 -10.449 -1.821 1.00 0.55 H new ATOM 0 HG23 THR A 7 -1.003 -9.534 -3.348 1.00 0.55 H new ATOM 110 N ASP A 8 1.561 -10.190 0.027 1.00 0.28 N ATOM 111 CA ASP A 8 1.231 -10.376 1.437 1.00 0.31 C ATOM 112 C ASP A 8 1.714 -9.225 2.323 1.00 0.24 C ATOM 113 O ASP A 8 1.028 -8.846 3.260 1.00 0.28 O ATOM 114 CB ASP A 8 1.764 -11.701 1.944 1.00 0.46 C ATOM 115 CG ASP A 8 1.427 -11.949 3.392 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.237 -12.147 3.704 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.357 -11.975 4.231 1.00 1.61 O ATOM 0 H ASP A 8 2.196 -10.895 -0.347 1.00 0.28 H new ATOM 0 HA ASP A 8 0.143 -10.382 1.501 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.355 -12.509 1.337 1.00 0.46 H new ATOM 0 HB3 ASP A 8 2.846 -11.724 1.818 1.00 0.46 H new ATOM 122 N ASP A 9 2.862 -8.632 1.997 1.00 0.24 N ATOM 123 CA ASP A 9 3.388 -7.504 2.812 1.00 0.28 C ATOM 124 C ASP A 9 2.459 -6.324 2.710 1.00 0.24 C ATOM 125 O ASP A 9 2.164 -5.654 3.708 1.00 0.30 O ATOM 126 CB ASP A 9 4.795 -7.048 2.381 1.00 0.38 C ATOM 127 CG ASP A 9 5.865 -8.101 2.563 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.284 -8.331 3.713 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.311 -8.706 1.588 1.00 1.78 O ATOM 0 H ASP A 9 3.442 -8.894 1.200 1.00 0.24 H new ATOM 0 HA ASP A 9 3.454 -7.872 3.836 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.765 -6.753 1.332 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.070 -6.162 2.954 1.00 0.38 H new ATOM 134 N LEU A 10 1.980 -6.086 1.506 1.00 0.19 N ATOM 135 CA LEU A 10 1.052 -5.009 1.249 1.00 0.23 C ATOM 136 C LEU A 10 -0.288 -5.350 1.901 1.00 0.24 C ATOM 137 O LEU A 10 -0.896 -4.517 2.565 1.00 0.30 O ATOM 138 CB LEU A 10 0.893 -4.819 -0.261 1.00 0.27 C ATOM 139 CG LEU A 10 0.115 -3.587 -0.718 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.826 -2.313 -0.280 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.055 -3.607 -2.221 1.00 0.47 C ATOM 0 H LEU A 10 2.224 -6.634 0.681 1.00 0.19 H new ATOM 0 HA LEU A 10 1.426 -4.076 1.671 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.887 -4.778 -0.706 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.399 -5.703 -0.665 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.871 -3.606 -0.254 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.257 -1.445 -0.614 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.907 -2.297 0.807 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.823 -2.284 -0.719 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.611 -2.724 -2.536 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.925 -3.608 -2.698 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.602 -4.504 -2.513 1.00 0.47 H new ATOM 153 N ARG A 11 -0.701 -6.604 1.727 1.00 0.24 N ATOM 154 CA ARG A 11 -1.916 -7.174 2.323 1.00 0.30 C ATOM 155 C ARG A 11 -1.976 -6.876 3.826 1.00 0.33 C ATOM 156 O ARG A 11 -2.966 -6.342 4.320 1.00 0.38 O ATOM 157 CB ARG A 11 -1.900 -8.690 2.092 1.00 0.36 C ATOM 158 CG ARG A 11 -2.992 -9.485 2.770 1.00 0.51 C ATOM 159 CD ARG A 11 -2.699 -10.968 2.636 1.00 0.73 C ATOM 160 NE ARG A 11 -3.666 -11.801 3.350 1.00 0.97 N ATOM 161 CZ ARG A 11 -3.359 -12.708 4.291 1.00 1.30 C ATOM 162 NH1 ARG A 11 -2.097 -12.885 4.684 1.00 1.81 N ATOM 163 NH2 ARG A 11 -4.321 -13.440 4.821 1.00 1.98 N ATOM 0 H ARG A 11 -0.188 -7.273 1.152 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.794 -6.727 1.857 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -1.960 -8.873 1.019 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -0.938 -9.076 2.427 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.056 -9.210 3.823 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -3.958 -9.253 2.321 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -2.700 -11.241 1.581 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -1.698 -11.172 3.017 1.00 0.73 H new ATOM 0 HE ARG A 11 -4.651 -11.684 3.114 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -1.351 -12.328 4.269 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -1.878 -13.578 5.400 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -5.286 -13.313 4.515 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -4.100 -14.132 5.537 1.00 1.98 H new ATOM 177 N ARG A 12 -0.889 -7.205 4.528 1.00 0.33 N ATOM 178 CA ARG A 12 -0.770 -6.989 5.976 1.00 0.39 C ATOM 179 C ARG A 12 -1.010 -5.520 6.356 1.00 0.39 C ATOM 180 O ARG A 12 -1.595 -5.226 7.404 1.00 0.48 O ATOM 181 CB ARG A 12 0.609 -7.460 6.493 1.00 0.49 C ATOM 182 CG ARG A 12 0.858 -8.966 6.362 1.00 0.77 C ATOM 183 CD ARG A 12 2.234 -9.369 6.898 1.00 0.90 C ATOM 184 NE ARG A 12 2.378 -9.094 8.340 1.00 1.28 N ATOM 185 CZ ARG A 12 3.550 -9.001 9.018 1.00 1.77 C ATOM 186 NH1 ARG A 12 4.717 -9.202 8.406 1.00 2.08 N ATOM 187 NH2 ARG A 12 3.532 -8.719 10.312 1.00 2.59 N ATOM 0 H ARG A 12 -0.062 -7.630 4.109 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.546 -7.587 6.455 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.388 -6.927 5.948 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.705 -7.179 7.542 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.084 -9.510 6.904 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.778 -9.257 5.315 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.395 -10.431 6.716 1.00 0.90 H new ATOM 0 HD3 ARG A 12 3.007 -8.831 6.349 1.00 0.90 H new ATOM 0 HE ARG A 12 1.520 -8.962 8.876 1.00 1.28 H new ATOM 0 HH11 ARG A 12 4.739 -9.430 7.412 1.00 2.08 H new ATOM 0 HH12 ARG A 12 5.588 -9.128 8.932 1.00 2.08 H new ATOM 0 HH21 ARG A 12 2.643 -8.574 10.790 1.00 2.59 H new ATOM 0 HH22 ARG A 12 4.407 -8.647 10.830 1.00 2.59 H new ATOM 201 N ALA A 13 -0.597 -4.616 5.489 1.00 0.35 N ATOM 202 CA ALA A 13 -0.742 -3.194 5.736 1.00 0.41 C ATOM 203 C ALA A 13 -2.158 -2.728 5.467 1.00 0.42 C ATOM 204 O ALA A 13 -2.727 -2.020 6.277 1.00 0.50 O ATOM 205 CB ALA A 13 0.241 -2.397 4.897 1.00 0.48 C ATOM 0 H ALA A 13 -0.154 -4.844 4.599 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.523 -3.021 6.790 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.113 -1.334 5.099 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.259 -2.695 5.148 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.057 -2.590 3.840 1.00 0.48 H new ATOM 211 N LEU A 14 -2.748 -3.181 4.368 1.00 0.41 N ATOM 212 CA LEU A 14 -4.103 -2.749 3.997 1.00 0.49 C ATOM 213 C LEU A 14 -5.135 -3.166 5.032 1.00 0.55 C ATOM 214 O LEU A 14 -6.125 -2.472 5.245 1.00 0.72 O ATOM 215 CB LEU A 14 -4.512 -3.206 2.580 1.00 0.51 C ATOM 216 CG LEU A 14 -4.087 -2.303 1.398 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.592 -2.151 1.290 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.656 -2.824 0.098 1.00 0.92 C ATOM 0 H LEU A 14 -2.320 -3.841 3.719 1.00 0.41 H new ATOM 0 HA LEU A 14 -4.075 -1.660 3.977 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -4.097 -4.200 2.412 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.597 -3.305 2.557 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.495 -1.313 1.599 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.352 -1.507 0.444 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.204 -1.705 2.206 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.136 -3.130 1.142 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.346 -2.175 -0.721 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.289 -3.835 -0.081 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -5.744 -2.838 0.157 1.00 0.92 H new ATOM 230 N VAL A 15 -4.875 -4.275 5.704 1.00 0.51 N ATOM 231 CA VAL A 15 -5.731 -4.720 6.793 1.00 0.60 C ATOM 232 C VAL A 15 -5.743 -3.654 7.901 1.00 0.58 C ATOM 233 O VAL A 15 -6.799 -3.143 8.275 1.00 0.66 O ATOM 234 CB VAL A 15 -5.239 -6.075 7.394 1.00 0.69 C ATOM 235 CG1 VAL A 15 -6.116 -6.495 8.570 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.248 -7.169 6.342 1.00 0.76 C ATOM 0 H VAL A 15 -4.079 -4.884 5.515 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.734 -4.867 6.393 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.217 -5.928 7.744 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.755 -7.441 8.973 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -6.075 -5.731 9.346 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -7.145 -6.614 8.232 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -4.901 -8.103 6.785 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.262 -7.301 5.963 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.588 -6.890 5.521 1.00 0.76 H new ATOM 246 N GLU A 16 -4.569 -3.301 8.389 1.00 0.55 N ATOM 247 CA GLU A 16 -4.467 -2.393 9.515 1.00 0.63 C ATOM 248 C GLU A 16 -4.686 -0.919 9.132 1.00 0.58 C ATOM 249 O GLU A 16 -5.076 -0.114 9.977 1.00 0.67 O ATOM 250 CB GLU A 16 -3.158 -2.595 10.277 1.00 0.82 C ATOM 251 CG GLU A 16 -1.907 -2.291 9.506 1.00 1.16 C ATOM 252 CD GLU A 16 -0.683 -2.436 10.363 1.00 1.67 C ATOM 253 OE1 GLU A 16 -0.251 -3.572 10.636 1.00 2.43 O ATOM 254 OE2 GLU A 16 -0.091 -1.407 10.752 1.00 1.83 O ATOM 0 H GLU A 16 -3.674 -3.628 8.024 1.00 0.55 H new ATOM 0 HA GLU A 16 -5.287 -2.647 10.186 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -3.176 -1.967 11.168 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -3.112 -3.630 10.617 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -1.834 -2.961 8.650 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -1.959 -1.276 9.112 1.00 1.16 H new ATOM 261 N SER A 17 -4.458 -0.571 7.876 1.00 0.52 N ATOM 262 CA SER A 17 -4.688 0.791 7.434 1.00 0.62 C ATOM 263 C SER A 17 -6.187 1.044 7.245 1.00 0.70 C ATOM 264 O SER A 17 -6.670 2.157 7.495 1.00 0.94 O ATOM 265 CB SER A 17 -3.943 1.086 6.132 1.00 0.67 C ATOM 266 OG SER A 17 -2.532 0.889 6.248 1.00 1.26 O ATOM 0 H SER A 17 -4.118 -1.206 7.153 1.00 0.52 H new ATOM 0 HA SER A 17 -4.305 1.460 8.205 1.00 0.62 H new ATOM 0 HB2 SER A 17 -4.332 0.444 5.342 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.139 2.115 5.831 1.00 0.67 H new ATOM 0 HG SER A 17 -2.339 -0.071 6.296 1.00 1.26 H new ATOM 272 N ALA A 18 -6.915 0.030 6.785 1.00 0.61 N ATOM 273 CA ALA A 18 -8.357 0.142 6.651 1.00 0.79 C ATOM 274 C ALA A 18 -9.002 0.037 8.022 1.00 0.97 C ATOM 275 O ALA A 18 -9.939 0.776 8.348 1.00 1.23 O ATOM 276 CB ALA A 18 -8.907 -0.931 5.726 1.00 0.82 C ATOM 0 H ALA A 18 -6.530 -0.871 6.502 1.00 0.61 H new ATOM 0 HA ALA A 18 -8.592 1.112 6.212 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -9.989 -0.822 5.645 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.457 -0.826 4.739 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.671 -1.916 6.130 1.00 0.82 H new ATOM 282 N GLY A 19 -8.497 -0.876 8.812 1.00 1.02 N ATOM 283 CA GLY A 19 -8.995 -1.080 10.142 1.00 1.29 C ATOM 284 C GLY A 19 -9.230 -2.540 10.383 1.00 1.50 C ATOM 285 O GLY A 19 -8.701 -3.127 11.339 1.00 2.02 O ATOM 0 H GLY A 19 -7.731 -1.496 8.549 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -8.282 -0.693 10.870 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -9.924 -0.526 10.280 1.00 1.29 H new ATOM 289 N GLU A 20 -9.984 -3.141 9.503 1.00 1.87 N ATOM 290 CA GLU A 20 -10.282 -4.535 9.587 1.00 2.49 C ATOM 291 C GLU A 20 -10.445 -5.104 8.190 1.00 2.35 C ATOM 292 O GLU A 20 -10.211 -4.413 7.201 1.00 2.86 O ATOM 293 CB GLU A 20 -11.559 -4.765 10.399 1.00 3.34 C ATOM 294 CG GLU A 20 -12.817 -4.159 9.808 1.00 3.88 C ATOM 295 CD GLU A 20 -14.030 -4.582 10.568 1.00 4.57 C ATOM 296 OE1 GLU A 20 -14.603 -5.640 10.260 1.00 5.20 O ATOM 297 OE2 GLU A 20 -14.415 -3.902 11.516 1.00 4.79 O ATOM 0 H GLU A 20 -10.409 -2.670 8.705 1.00 1.87 H new ATOM 0 HA GLU A 20 -9.459 -5.041 10.091 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -11.710 -5.839 10.512 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -11.413 -4.357 11.399 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -12.739 -3.072 9.818 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -12.914 -4.462 8.765 1.00 3.88 H new ATOM 304 N THR A 21 -10.817 -6.342 8.107 1.00 2.33 N ATOM 305 CA THR A 21 -11.099 -6.956 6.852 1.00 2.61 C ATOM 306 C THR A 21 -12.620 -7.140 6.757 1.00 2.41 C ATOM 307 O THR A 21 -13.154 -8.208 7.059 1.00 3.04 O ATOM 308 CB THR A 21 -10.364 -8.312 6.758 1.00 3.66 C ATOM 309 OG1 THR A 21 -8.976 -8.104 7.101 1.00 4.09 O ATOM 310 CG2 THR A 21 -10.440 -8.874 5.345 1.00 4.35 C ATOM 0 H THR A 21 -10.934 -6.957 8.913 1.00 2.33 H new ATOM 0 HA THR A 21 -10.752 -6.337 6.024 1.00 2.61 H new ATOM 0 HB THR A 21 -10.836 -9.019 7.441 1.00 3.66 H new ATOM 0 HG1 THR A 21 -8.495 -8.956 7.048 1.00 4.09 H new ATOM 0 HG21 THR A 21 -9.915 -9.829 5.304 1.00 4.35 H new ATOM 0 HG22 THR A 21 -11.484 -9.021 5.068 1.00 4.35 H new ATOM 0 HG23 THR A 21 -9.975 -8.175 4.650 1.00 4.35 H new ATOM 318 N ASP A 22 -13.315 -6.052 6.467 1.00 2.19 N ATOM 319 CA ASP A 22 -14.776 -6.068 6.423 1.00 2.51 C ATOM 320 C ASP A 22 -15.292 -6.656 5.125 1.00 2.23 C ATOM 321 O ASP A 22 -15.842 -7.758 5.107 1.00 2.75 O ATOM 322 CB ASP A 22 -15.366 -4.665 6.644 1.00 3.10 C ATOM 323 CG ASP A 22 -16.879 -4.649 6.503 1.00 3.82 C ATOM 324 OD1 ASP A 22 -17.582 -4.988 7.476 1.00 4.46 O ATOM 325 OD2 ASP A 22 -17.389 -4.269 5.430 1.00 4.16 O ATOM 0 H ASP A 22 -12.896 -5.146 6.258 1.00 2.19 H new ATOM 0 HA ASP A 22 -15.106 -6.709 7.241 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -15.092 -4.310 7.637 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -14.929 -3.972 5.926 1.00 3.10 H new ATOM 330 N GLY A 23 -15.103 -5.943 4.051 1.00 2.01 N ATOM 331 CA GLY A 23 -15.571 -6.393 2.772 1.00 2.24 C ATOM 332 C GLY A 23 -14.511 -6.216 1.751 1.00 1.82 C ATOM 333 O GLY A 23 -14.591 -5.328 0.898 1.00 2.14 O ATOM 0 H GLY A 23 -14.625 -5.042 4.037 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -15.859 -7.443 2.830 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -16.461 -5.834 2.484 1.00 2.24 H new ATOM 337 N THR A 24 -13.499 -7.018 1.855 1.00 1.57 N ATOM 338 CA THR A 24 -12.388 -6.935 0.980 1.00 1.43 C ATOM 339 C THR A 24 -11.628 -8.262 0.975 1.00 1.45 C ATOM 340 O THR A 24 -11.000 -8.649 1.972 1.00 1.91 O ATOM 341 CB THR A 24 -11.455 -5.719 1.368 1.00 1.62 C ATOM 342 OG1 THR A 24 -10.314 -5.655 0.512 1.00 2.20 O ATOM 343 CG2 THR A 24 -11.006 -5.749 2.834 1.00 1.81 C ATOM 0 H THR A 24 -13.426 -7.753 2.558 1.00 1.57 H new ATOM 0 HA THR A 24 -12.745 -6.750 -0.033 1.00 1.43 H new ATOM 0 HB THR A 24 -12.060 -4.822 1.234 1.00 1.62 H new ATOM 0 HG1 THR A 24 -9.677 -5.000 0.865 1.00 2.20 H new ATOM 0 HG21 THR A 24 -10.369 -4.888 3.037 1.00 1.81 H new ATOM 0 HG22 THR A 24 -11.881 -5.714 3.483 1.00 1.81 H new ATOM 0 HG23 THR A 24 -10.449 -6.666 3.025 1.00 1.81 H new ATOM 351 N ASP A 25 -11.819 -9.031 -0.082 1.00 1.48 N ATOM 352 CA ASP A 25 -11.020 -10.227 -0.300 1.00 1.62 C ATOM 353 C ASP A 25 -9.621 -9.748 -0.630 1.00 1.23 C ATOM 354 O ASP A 25 -9.331 -9.358 -1.764 1.00 1.29 O ATOM 355 CB ASP A 25 -11.594 -11.083 -1.441 1.00 2.15 C ATOM 356 CG ASP A 25 -10.804 -12.352 -1.694 1.00 2.70 C ATOM 357 OD1 ASP A 25 -11.011 -13.353 -0.985 1.00 3.20 O ATOM 358 OD2 ASP A 25 -9.931 -12.350 -2.594 1.00 3.10 O ATOM 0 H ASP A 25 -12.518 -8.851 -0.802 1.00 1.48 H new ATOM 0 HA ASP A 25 -11.021 -10.863 0.585 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -12.625 -11.346 -1.205 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -11.617 -10.489 -2.355 1.00 2.15 H new ATOM 363 N LEU A 26 -8.804 -9.679 0.389 1.00 1.06 N ATOM 364 CA LEU A 26 -7.500 -9.070 0.301 1.00 0.81 C ATOM 365 C LEU A 26 -6.413 -10.135 0.285 1.00 0.84 C ATOM 366 O LEU A 26 -5.232 -9.851 0.089 1.00 1.12 O ATOM 367 CB LEU A 26 -7.328 -8.141 1.512 1.00 0.93 C ATOM 368 CG LEU A 26 -6.148 -7.178 1.494 1.00 0.93 C ATOM 369 CD1 LEU A 26 -6.295 -6.193 0.349 1.00 1.12 C ATOM 370 CD2 LEU A 26 -6.064 -6.440 2.811 1.00 1.24 C ATOM 0 H LEU A 26 -9.027 -10.048 1.314 1.00 1.06 H new ATOM 0 HA LEU A 26 -7.414 -8.500 -0.624 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -8.240 -7.554 1.619 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -7.242 -8.762 2.404 1.00 0.93 H new ATOM 0 HG LEU A 26 -5.229 -7.747 1.350 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -5.446 -5.509 0.346 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -6.328 -6.736 -0.596 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -7.217 -5.625 0.473 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -5.218 -5.753 2.790 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -6.984 -5.878 2.972 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -5.930 -7.156 3.622 1.00 1.24 H new ATOM 382 N SER A 27 -6.803 -11.349 0.504 1.00 0.86 N ATOM 383 CA SER A 27 -5.872 -12.424 0.495 1.00 0.94 C ATOM 384 C SER A 27 -5.901 -13.114 -0.871 1.00 1.11 C ATOM 385 O SER A 27 -6.705 -14.029 -1.123 1.00 1.82 O ATOM 386 CB SER A 27 -6.180 -13.378 1.633 1.00 1.29 C ATOM 387 OG SER A 27 -6.341 -12.644 2.856 1.00 1.78 O ATOM 0 H SER A 27 -7.768 -11.619 0.692 1.00 0.86 H new ATOM 0 HA SER A 27 -4.860 -12.050 0.652 1.00 0.94 H new ATOM 0 HB2 SER A 27 -7.088 -13.939 1.413 1.00 1.29 H new ATOM 0 HB3 SER A 27 -5.374 -14.105 1.738 1.00 1.29 H new ATOM 0 HG SER A 27 -6.971 -13.116 3.440 1.00 1.78 H new ATOM 393 N GLY A 28 -5.084 -12.607 -1.753 1.00 1.06 N ATOM 394 CA GLY A 28 -4.976 -13.079 -3.099 1.00 1.30 C ATOM 395 C GLY A 28 -4.315 -12.004 -3.903 1.00 1.12 C ATOM 396 O GLY A 28 -3.786 -11.058 -3.313 1.00 1.42 O ATOM 0 H GLY A 28 -4.457 -11.830 -1.544 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -4.393 -13.999 -3.137 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -5.961 -13.309 -3.504 1.00 1.30 H new ATOM 400 N ASP A 29 -4.339 -12.092 -5.211 1.00 1.15 N ATOM 401 CA ASP A 29 -3.741 -11.053 -6.033 1.00 1.06 C ATOM 402 C ASP A 29 -4.696 -9.880 -6.158 1.00 0.95 C ATOM 403 O ASP A 29 -5.451 -9.746 -7.114 1.00 1.46 O ATOM 404 CB ASP A 29 -3.304 -11.564 -7.411 1.00 1.33 C ATOM 405 CG ASP A 29 -2.583 -10.504 -8.230 1.00 1.79 C ATOM 406 OD1 ASP A 29 -1.392 -10.247 -7.988 1.00 2.27 O ATOM 407 OD2 ASP A 29 -3.221 -9.873 -9.102 1.00 2.15 O ATOM 0 H ASP A 29 -4.760 -12.862 -5.731 1.00 1.15 H new ATOM 0 HA ASP A 29 -2.831 -10.722 -5.533 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -2.649 -12.426 -7.283 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -4.180 -11.908 -7.961 1.00 1.33 H new ATOM 412 N PHE A 30 -4.714 -9.080 -5.126 1.00 0.50 N ATOM 413 CA PHE A 30 -5.572 -7.911 -5.049 1.00 0.39 C ATOM 414 C PHE A 30 -4.939 -6.732 -5.763 1.00 0.32 C ATOM 415 O PHE A 30 -5.517 -5.668 -5.838 1.00 0.31 O ATOM 416 CB PHE A 30 -5.865 -7.550 -3.577 1.00 0.39 C ATOM 417 CG PHE A 30 -4.641 -7.176 -2.767 1.00 0.38 C ATOM 418 CD1 PHE A 30 -3.863 -8.151 -2.168 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.268 -5.854 -2.618 1.00 0.41 C ATOM 420 CE1 PHE A 30 -2.748 -7.810 -1.435 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.155 -5.510 -1.887 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.408 -6.491 -1.273 1.00 0.53 C ATOM 0 H PHE A 30 -4.129 -9.217 -4.301 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.514 -8.148 -5.544 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.569 -6.718 -3.553 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.357 -8.397 -3.099 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.133 -9.191 -2.276 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -4.859 -5.079 -3.083 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.140 -8.582 -0.987 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -2.867 -4.473 -1.795 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.557 -6.222 -0.665 1.00 0.53 H new ATOM 432 N LEU A 31 -3.732 -6.938 -6.263 1.00 0.33 N ATOM 433 CA LEU A 31 -2.947 -5.907 -6.943 1.00 0.32 C ATOM 434 C LEU A 31 -3.685 -5.215 -8.093 1.00 0.28 C ATOM 435 O LEU A 31 -3.392 -4.064 -8.397 1.00 0.33 O ATOM 436 CB LEU A 31 -1.563 -6.419 -7.396 1.00 0.41 C ATOM 437 CG LEU A 31 -0.497 -6.633 -6.294 1.00 0.61 C ATOM 438 CD1 LEU A 31 -0.878 -7.734 -5.321 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.861 -6.914 -6.916 1.00 0.98 C ATOM 0 H LEU A 31 -3.257 -7.839 -6.210 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.788 -5.141 -6.184 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.706 -7.366 -7.917 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.162 -5.713 -8.123 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.442 -5.709 -5.719 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.096 -7.842 -4.569 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -1.818 -7.478 -4.832 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -0.994 -8.673 -5.862 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.599 -7.062 -6.127 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.801 -7.813 -7.530 1.00 0.98 H new ATOM 0 HD23 LEU A 31 1.158 -6.069 -7.537 1.00 0.98 H new ATOM 451 N ASP A 32 -4.633 -5.910 -8.707 1.00 0.32 N ATOM 452 CA ASP A 32 -5.388 -5.348 -9.835 1.00 0.43 C ATOM 453 C ASP A 32 -6.733 -4.768 -9.372 1.00 0.36 C ATOM 454 O ASP A 32 -7.416 -4.069 -10.117 1.00 0.42 O ATOM 455 CB ASP A 32 -5.603 -6.419 -10.913 1.00 0.69 C ATOM 456 CG ASP A 32 -6.261 -5.896 -12.177 1.00 1.22 C ATOM 457 OD1 ASP A 32 -5.614 -5.141 -12.939 1.00 1.74 O ATOM 458 OD2 ASP A 32 -7.461 -6.177 -12.401 1.00 1.99 O ATOM 0 H ASP A 32 -4.902 -6.860 -8.450 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.805 -4.531 -10.261 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -4.640 -6.859 -11.172 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.217 -7.219 -10.499 1.00 0.69 H new ATOM 463 N LEU A 33 -7.083 -5.026 -8.130 1.00 0.32 N ATOM 464 CA LEU A 33 -8.326 -4.536 -7.560 1.00 0.33 C ATOM 465 C LEU A 33 -8.137 -3.116 -7.125 1.00 0.31 C ATOM 466 O LEU A 33 -7.203 -2.817 -6.426 1.00 0.45 O ATOM 467 CB LEU A 33 -8.755 -5.395 -6.371 1.00 0.40 C ATOM 468 CG LEU A 33 -9.134 -6.835 -6.696 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.439 -7.590 -5.422 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.337 -6.860 -7.625 1.00 0.58 C ATOM 0 H LEU A 33 -6.518 -5.579 -7.486 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.110 -4.591 -8.316 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.943 -5.408 -5.644 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.606 -4.915 -5.889 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.295 -7.318 -7.197 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.709 -8.618 -5.664 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.559 -7.588 -4.778 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.269 -7.109 -4.904 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.600 -7.893 -7.852 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.181 -6.368 -7.141 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -10.094 -6.337 -8.550 1.00 0.58 H new ATOM 482 N ARG A 34 -9.028 -2.261 -7.507 1.00 0.28 N ATOM 483 CA ARG A 34 -8.877 -0.843 -7.251 1.00 0.31 C ATOM 484 C ARG A 34 -9.104 -0.536 -5.794 1.00 0.29 C ATOM 485 O ARG A 34 -9.963 -1.156 -5.153 1.00 0.34 O ATOM 486 CB ARG A 34 -9.894 -0.069 -8.073 1.00 0.48 C ATOM 487 CG ARG A 34 -9.784 -0.316 -9.551 1.00 0.73 C ATOM 488 CD ARG A 34 -10.886 0.373 -10.314 1.00 1.02 C ATOM 489 NE ARG A 34 -10.865 1.834 -10.175 1.00 1.90 N ATOM 490 CZ ARG A 34 -11.705 2.656 -10.808 1.00 2.41 C ATOM 491 NH1 ARG A 34 -12.461 2.192 -11.794 1.00 2.17 N ATOM 492 NH2 ARG A 34 -11.760 3.937 -10.491 1.00 3.51 N ATOM 0 H ARG A 34 -9.883 -2.512 -8.004 1.00 0.28 H new ATOM 0 HA ARG A 34 -7.863 -0.552 -7.525 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.897 -0.338 -7.742 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -9.769 0.997 -7.881 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.817 0.038 -9.908 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.822 -1.388 -9.745 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -10.804 0.115 -11.370 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.848 -0.004 -9.968 1.00 1.02 H new ATOM 0 HE ARG A 34 -10.166 2.246 -9.557 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -12.399 1.211 -12.066 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -13.104 2.816 -12.281 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -11.157 4.307 -9.756 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -12.405 4.556 -10.981 1.00 3.51 H new ATOM 506 N PHE A 35 -8.318 0.388 -5.263 1.00 0.30 N ATOM 507 CA PHE A 35 -8.495 0.863 -3.901 1.00 0.34 C ATOM 508 C PHE A 35 -9.941 1.296 -3.666 1.00 0.38 C ATOM 509 O PHE A 35 -10.540 0.970 -2.645 1.00 0.41 O ATOM 510 CB PHE A 35 -7.522 1.994 -3.559 1.00 0.38 C ATOM 511 CG PHE A 35 -6.086 1.562 -3.417 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.666 0.885 -2.285 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.156 1.854 -4.395 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.351 0.504 -2.134 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.836 1.480 -4.249 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.433 0.804 -3.115 1.00 0.44 C ATOM 0 H PHE A 35 -7.544 0.827 -5.761 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.269 0.032 -3.232 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.584 2.756 -4.336 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.841 2.461 -2.628 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.380 0.652 -1.509 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.466 2.382 -5.285 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.041 -0.029 -1.248 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.119 1.716 -5.021 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.400 0.511 -2.998 1.00 0.44 H new ATOM 526 N GLU A 36 -10.495 2.006 -4.633 1.00 0.44 N ATOM 527 CA GLU A 36 -11.894 2.442 -4.606 1.00 0.52 C ATOM 528 C GLU A 36 -12.866 1.266 -4.431 1.00 0.52 C ATOM 529 O GLU A 36 -13.913 1.404 -3.809 1.00 0.58 O ATOM 530 CB GLU A 36 -12.235 3.187 -5.884 1.00 0.64 C ATOM 531 CG GLU A 36 -11.470 4.474 -6.064 1.00 1.23 C ATOM 532 CD GLU A 36 -11.772 5.133 -7.373 1.00 1.60 C ATOM 533 OE1 GLU A 36 -12.858 5.691 -7.534 1.00 1.97 O ATOM 534 OE2 GLU A 36 -10.925 5.071 -8.297 1.00 2.06 O ATOM 0 H GLU A 36 -9.989 2.302 -5.468 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.006 3.102 -3.746 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -12.038 2.536 -6.736 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -13.303 3.406 -5.891 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.715 5.157 -5.250 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -10.401 4.271 -5.999 1.00 1.23 H new ATOM 541 N ASP A 37 -12.485 0.108 -4.920 1.00 0.49 N ATOM 542 CA ASP A 37 -13.353 -1.059 -4.880 1.00 0.55 C ATOM 543 C ASP A 37 -13.251 -1.729 -3.519 1.00 0.55 C ATOM 544 O ASP A 37 -14.224 -2.289 -3.018 1.00 0.66 O ATOM 545 CB ASP A 37 -12.961 -2.056 -5.984 1.00 0.62 C ATOM 546 CG ASP A 37 -13.941 -3.209 -6.145 1.00 0.74 C ATOM 547 OD1 ASP A 37 -13.914 -4.142 -5.313 1.00 0.86 O ATOM 548 OD2 ASP A 37 -14.762 -3.203 -7.062 1.00 0.92 O ATOM 0 H ASP A 37 -11.576 -0.057 -5.353 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.381 -0.738 -5.048 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -12.883 -1.523 -6.931 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -11.973 -2.459 -5.763 1.00 0.62 H new ATOM 553 N ILE A 38 -12.094 -1.594 -2.882 1.00 0.47 N ATOM 554 CA ILE A 38 -11.868 -2.234 -1.590 1.00 0.51 C ATOM 555 C ILE A 38 -12.177 -1.295 -0.420 1.00 0.53 C ATOM 556 O ILE A 38 -11.858 -1.588 0.730 1.00 0.59 O ATOM 557 CB ILE A 38 -10.429 -2.830 -1.440 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.358 -1.729 -1.514 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.178 -3.892 -2.509 1.00 0.56 C ATOM 560 CD1 ILE A 38 -7.938 -2.230 -1.358 1.00 0.47 C ATOM 0 H ILE A 38 -11.304 -1.053 -3.234 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.569 -3.068 -1.558 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.360 -3.298 -0.458 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.447 -1.216 -2.472 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.558 -0.991 -0.737 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.173 -4.297 -2.391 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -10.907 -4.695 -2.402 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.275 -3.443 -3.498 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.247 -1.390 -1.423 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.828 -2.717 -0.389 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.715 -2.945 -2.150 1.00 0.47 H new ATOM 572 N GLY A 39 -12.864 -0.203 -0.716 1.00 0.54 N ATOM 573 CA GLY A 39 -13.278 0.736 0.318 1.00 0.61 C ATOM 574 C GLY A 39 -12.169 1.676 0.767 1.00 0.55 C ATOM 575 O GLY A 39 -12.193 2.193 1.889 1.00 0.69 O ATOM 0 H GLY A 39 -13.147 0.056 -1.661 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -14.115 1.327 -0.054 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.640 0.177 1.181 1.00 0.61 H new ATOM 579 N TYR A 40 -11.207 1.892 -0.087 1.00 0.45 N ATOM 580 CA TYR A 40 -10.110 2.787 0.202 1.00 0.48 C ATOM 581 C TYR A 40 -10.325 4.133 -0.448 1.00 0.56 C ATOM 582 O TYR A 40 -11.025 4.255 -1.458 1.00 0.64 O ATOM 583 CB TYR A 40 -8.796 2.220 -0.325 1.00 0.43 C ATOM 584 CG TYR A 40 -7.864 1.633 0.690 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.297 0.590 1.482 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.577 2.111 0.878 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.492 0.034 2.435 1.00 1.00 C ATOM 588 CE2 TYR A 40 -5.755 1.551 1.837 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.066 0.588 2.507 1.00 1.11 C ATOM 590 OH TYR A 40 -5.437 -0.053 3.560 1.00 1.40 O ATOM 0 H TYR A 40 -11.157 1.453 -1.007 1.00 0.45 H new ATOM 0 HA TYR A 40 -10.066 2.898 1.285 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.028 1.450 -1.060 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -8.269 3.015 -0.852 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.296 0.204 1.345 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.214 2.927 0.271 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -7.839 -0.747 3.096 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -4.783 1.994 1.999 1.00 0.99 H new ATOM 0 HH TYR A 40 -5.984 -0.811 3.855 1.00 1.40 H new ATOM 600 N ASP A 41 -9.731 5.124 0.143 1.00 0.74 N ATOM 601 CA ASP A 41 -9.666 6.459 -0.407 1.00 0.95 C ATOM 602 C ASP A 41 -8.266 6.900 -0.270 1.00 1.01 C ATOM 603 O ASP A 41 -7.462 6.189 0.336 1.00 1.89 O ATOM 604 CB ASP A 41 -10.523 7.476 0.332 1.00 1.15 C ATOM 605 CG ASP A 41 -12.005 7.258 0.199 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.592 7.696 -0.832 1.00 2.07 O ATOM 607 OD2 ASP A 41 -12.621 6.682 1.118 1.00 2.16 O ATOM 0 H ASP A 41 -9.263 5.033 1.045 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.031 6.412 -1.433 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -10.259 7.455 1.389 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.281 8.473 -0.037 1.00 1.15 H new ATOM 612 N SER A 42 -7.995 8.076 -0.766 1.00 0.71 N ATOM 613 CA SER A 42 -6.682 8.694 -0.743 1.00 0.66 C ATOM 614 C SER A 42 -6.056 8.666 0.652 1.00 0.49 C ATOM 615 O SER A 42 -4.939 8.241 0.820 1.00 0.45 O ATOM 616 CB SER A 42 -6.850 10.122 -1.159 1.00 0.86 C ATOM 617 OG SER A 42 -7.859 10.721 -0.285 1.00 1.19 O ATOM 0 H SER A 42 -8.702 8.657 -1.215 1.00 0.71 H new ATOM 0 HA SER A 42 -6.024 8.141 -1.413 1.00 0.66 H new ATOM 0 HB2 SER A 42 -5.905 10.659 -1.077 1.00 0.86 H new ATOM 0 HB3 SER A 42 -7.162 10.183 -2.202 1.00 0.86 H new ATOM 622 N LEU A 43 -6.824 9.087 1.631 1.00 0.49 N ATOM 623 CA LEU A 43 -6.349 9.248 2.998 1.00 0.49 C ATOM 624 C LEU A 43 -5.882 7.923 3.622 1.00 0.42 C ATOM 625 O LEU A 43 -4.760 7.847 4.138 1.00 0.41 O ATOM 626 CB LEU A 43 -7.435 9.922 3.842 1.00 0.65 C ATOM 627 CG LEU A 43 -7.909 11.293 3.322 1.00 0.79 C ATOM 628 CD1 LEU A 43 -9.021 11.853 4.189 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.747 12.276 3.245 1.00 1.03 C ATOM 0 H LEU A 43 -7.806 9.331 1.506 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.468 9.889 2.976 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.295 9.255 3.899 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -7.060 10.046 4.858 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.304 11.147 2.317 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -9.335 12.821 3.798 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.868 11.167 4.183 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -8.660 11.974 5.210 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.107 13.236 2.875 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -6.315 12.408 4.237 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -5.987 11.888 2.567 1.00 1.03 H new ATOM 641 N ALA A 44 -6.714 6.894 3.574 1.00 0.40 N ATOM 642 CA ALA A 44 -6.324 5.561 4.070 1.00 0.38 C ATOM 643 C ALA A 44 -5.181 4.991 3.237 1.00 0.32 C ATOM 644 O ALA A 44 -4.305 4.298 3.746 1.00 0.33 O ATOM 645 CB ALA A 44 -7.507 4.604 4.043 1.00 0.43 C ATOM 0 H ALA A 44 -7.662 6.944 3.200 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.989 5.674 5.101 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.194 3.628 4.413 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.305 4.993 4.676 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.871 4.504 3.020 1.00 0.43 H new ATOM 651 N LEU A 45 -5.206 5.299 1.963 1.00 0.30 N ATOM 652 CA LEU A 45 -4.213 4.835 1.016 1.00 0.28 C ATOM 653 C LEU A 45 -2.843 5.473 1.361 1.00 0.28 C ATOM 654 O LEU A 45 -1.808 4.790 1.386 1.00 0.29 O ATOM 655 CB LEU A 45 -4.707 5.206 -0.397 1.00 0.30 C ATOM 656 CG LEU A 45 -4.222 4.391 -1.602 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.817 4.952 -2.873 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.711 4.316 -1.702 1.00 0.37 C ATOM 0 H LEU A 45 -5.927 5.888 1.545 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.077 3.754 1.060 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.796 5.157 -0.386 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.436 6.247 -0.576 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.566 3.367 -1.457 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.469 4.369 -3.726 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.904 4.902 -2.819 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.507 5.990 -2.992 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.433 3.726 -2.575 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.302 5.322 -1.799 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.310 3.846 -0.804 1.00 0.37 H new ATOM 670 N MET A 46 -2.858 6.777 1.665 1.00 0.30 N ATOM 671 CA MET A 46 -1.654 7.504 2.093 1.00 0.34 C ATOM 672 C MET A 46 -1.135 6.902 3.369 1.00 0.34 C ATOM 673 O MET A 46 0.049 6.739 3.538 1.00 0.40 O ATOM 674 CB MET A 46 -1.935 8.994 2.321 1.00 0.39 C ATOM 675 CG MET A 46 -2.328 9.759 1.082 1.00 0.45 C ATOM 676 SD MET A 46 -2.728 11.486 1.435 1.00 0.68 S ATOM 677 CE MET A 46 -3.269 12.045 -0.179 1.00 1.44 C ATOM 0 H MET A 46 -3.697 7.355 1.622 1.00 0.30 H new ATOM 0 HA MET A 46 -0.914 7.418 1.297 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.731 9.091 3.059 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.046 9.456 2.750 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.513 9.718 0.360 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.189 9.277 0.619 1.00 0.45 H new ATOM 0 HE1 MET A 46 -2.764 12.978 -0.429 1.00 1.44 H new ATOM 0 HE2 MET A 46 -3.026 11.289 -0.926 1.00 1.44 H new ATOM 0 HE3 MET A 46 -4.347 12.208 -0.165 1.00 1.44 H new ATOM 687 N GLU A 47 -2.054 6.550 4.248 1.00 0.32 N ATOM 688 CA GLU A 47 -1.744 5.885 5.502 1.00 0.37 C ATOM 689 C GLU A 47 -0.984 4.580 5.286 1.00 0.32 C ATOM 690 O GLU A 47 -0.041 4.279 6.021 1.00 0.33 O ATOM 691 CB GLU A 47 -3.015 5.653 6.286 1.00 0.45 C ATOM 692 CG GLU A 47 -3.417 6.823 7.145 1.00 0.85 C ATOM 693 CD GLU A 47 -2.368 7.132 8.178 1.00 1.22 C ATOM 694 OE1 GLU A 47 -2.064 6.271 9.020 1.00 1.89 O ATOM 695 OE2 GLU A 47 -1.805 8.247 8.149 1.00 1.82 O ATOM 0 H GLU A 47 -3.050 6.720 4.111 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.086 6.537 6.077 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.824 5.428 5.591 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -2.886 4.775 6.920 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.580 7.699 6.517 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -4.364 6.605 7.640 1.00 0.85 H new ATOM 702 N THR A 48 -1.395 3.820 4.296 1.00 0.31 N ATOM 703 CA THR A 48 -0.702 2.613 3.908 1.00 0.30 C ATOM 704 C THR A 48 0.724 2.942 3.453 1.00 0.29 C ATOM 705 O THR A 48 1.698 2.359 3.963 1.00 0.32 O ATOM 706 CB THR A 48 -1.484 1.919 2.783 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.734 1.467 3.314 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.699 0.748 2.189 1.00 0.33 C ATOM 0 H THR A 48 -2.223 4.023 3.735 1.00 0.31 H new ATOM 0 HA THR A 48 -0.636 1.941 4.763 1.00 0.30 H new ATOM 0 HB THR A 48 -1.652 2.630 1.975 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.317 2.237 3.478 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.285 0.282 1.396 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.243 1.112 1.778 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.495 0.014 2.969 1.00 0.33 H new ATOM 716 N ALA A 49 0.839 3.876 2.513 1.00 0.29 N ATOM 717 CA ALA A 49 2.131 4.300 2.002 1.00 0.30 C ATOM 718 C ALA A 49 3.021 4.790 3.142 1.00 0.27 C ATOM 719 O ALA A 49 4.123 4.287 3.328 1.00 0.27 O ATOM 720 CB ALA A 49 1.951 5.387 0.955 1.00 0.36 C ATOM 0 H ALA A 49 0.044 4.355 2.089 1.00 0.29 H new ATOM 0 HA ALA A 49 2.619 3.446 1.532 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.927 5.696 0.580 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.351 5.002 0.131 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.446 6.243 1.403 1.00 0.36 H new ATOM 726 N ALA A 50 2.482 5.705 3.947 1.00 0.29 N ATOM 727 CA ALA A 50 3.178 6.317 5.081 1.00 0.31 C ATOM 728 C ALA A 50 3.674 5.285 6.074 1.00 0.30 C ATOM 729 O ALA A 50 4.768 5.423 6.623 1.00 0.32 O ATOM 730 CB ALA A 50 2.280 7.334 5.778 1.00 0.39 C ATOM 0 H ALA A 50 1.529 6.049 3.827 1.00 0.29 H new ATOM 0 HA ALA A 50 4.052 6.830 4.680 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.816 7.777 6.618 1.00 0.39 H new ATOM 0 HB2 ALA A 50 2.000 8.116 5.072 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.382 6.836 6.143 1.00 0.39 H new ATOM 736 N ARG A 51 2.880 4.254 6.282 1.00 0.32 N ATOM 737 CA ARG A 51 3.222 3.159 7.178 1.00 0.37 C ATOM 738 C ARG A 51 4.470 2.453 6.669 1.00 0.32 C ATOM 739 O ARG A 51 5.447 2.259 7.403 1.00 0.36 O ATOM 740 CB ARG A 51 2.077 2.151 7.205 1.00 0.51 C ATOM 741 CG ARG A 51 2.316 0.927 8.070 1.00 1.04 C ATOM 742 CD ARG A 51 1.324 -0.153 7.710 1.00 1.15 C ATOM 743 NE ARG A 51 1.462 -1.357 8.528 1.00 1.91 N ATOM 744 CZ ARG A 51 2.028 -2.508 8.143 1.00 2.60 C ATOM 745 NH1 ARG A 51 2.790 -2.554 7.062 1.00 2.86 N ATOM 746 NH2 ARG A 51 1.847 -3.593 8.853 1.00 3.47 N ATOM 0 H ARG A 51 1.971 4.148 5.832 1.00 0.32 H new ATOM 0 HA ARG A 51 3.399 3.558 8.177 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.178 2.656 7.558 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.879 1.822 6.185 1.00 0.51 H new ATOM 0 HG2 ARG A 51 3.333 0.562 7.927 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.216 1.189 9.123 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.313 0.240 7.820 1.00 1.15 H new ATOM 0 HD3 ARG A 51 1.450 -0.418 6.660 1.00 1.15 H new ATOM 0 HE ARG A 51 1.094 -1.317 9.478 1.00 1.91 H new ATOM 0 HH11 ARG A 51 2.950 -1.708 6.515 1.00 2.86 H new ATOM 0 HH12 ARG A 51 3.217 -3.435 6.776 1.00 2.86 H new ATOM 0 HH21 ARG A 51 1.276 -3.561 9.697 1.00 3.47 H new ATOM 0 HH22 ARG A 51 2.277 -4.471 8.562 1.00 3.47 H new ATOM 760 N LEU A 52 4.435 2.079 5.400 1.00 0.27 N ATOM 761 CA LEU A 52 5.530 1.356 4.795 1.00 0.25 C ATOM 762 C LEU A 52 6.770 2.258 4.708 1.00 0.21 C ATOM 763 O LEU A 52 7.900 1.777 4.806 1.00 0.23 O ATOM 764 CB LEU A 52 5.125 0.771 3.419 1.00 0.29 C ATOM 765 CG LEU A 52 3.790 0.000 3.392 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.479 -0.491 1.999 1.00 0.44 C ATOM 767 CD2 LEU A 52 3.827 -1.169 4.347 1.00 0.44 C ATOM 0 H LEU A 52 3.654 2.268 4.771 1.00 0.27 H new ATOM 0 HA LEU A 52 5.784 0.504 5.426 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.067 1.588 2.699 1.00 0.29 H new ATOM 0 HB3 LEU A 52 5.917 0.103 3.080 1.00 0.29 H new ATOM 0 HG LEU A 52 3.005 0.688 3.705 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.533 -1.032 2.007 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.406 0.360 1.321 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.274 -1.156 1.662 1.00 0.44 H new ATOM 0 HD21 LEU A 52 2.875 -1.698 4.311 1.00 0.44 H new ATOM 0 HD22 LEU A 52 4.630 -1.848 4.060 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.003 -0.806 5.360 1.00 0.44 H new ATOM 779 N GLU A 53 6.545 3.569 4.542 1.00 0.19 N ATOM 780 CA GLU A 53 7.630 4.552 4.539 1.00 0.19 C ATOM 781 C GLU A 53 8.401 4.500 5.837 1.00 0.23 C ATOM 782 O GLU A 53 9.591 4.209 5.839 1.00 0.26 O ATOM 783 CB GLU A 53 7.126 5.969 4.353 1.00 0.22 C ATOM 784 CG GLU A 53 6.418 6.271 3.058 1.00 0.25 C ATOM 785 CD GLU A 53 6.022 7.725 2.977 1.00 0.33 C ATOM 786 OE1 GLU A 53 5.055 8.112 3.636 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.644 8.493 2.224 1.00 0.38 O ATOM 0 H GLU A 53 5.617 3.971 4.408 1.00 0.19 H new ATOM 0 HA GLU A 53 8.272 4.291 3.698 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.447 6.199 5.174 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.975 6.647 4.443 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.067 6.021 2.219 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.530 5.645 2.971 1.00 0.25 H new ATOM 794 N SER A 54 7.703 4.747 6.933 1.00 0.31 N ATOM 795 CA SER A 54 8.304 4.800 8.244 1.00 0.40 C ATOM 796 C SER A 54 8.943 3.454 8.623 1.00 0.36 C ATOM 797 O SER A 54 10.092 3.404 9.064 1.00 0.39 O ATOM 798 CB SER A 54 7.231 5.203 9.260 1.00 0.53 C ATOM 799 OG SER A 54 6.549 6.381 8.821 1.00 1.17 O ATOM 0 H SER A 54 6.697 4.917 6.932 1.00 0.31 H new ATOM 0 HA SER A 54 9.104 5.540 8.242 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.518 4.389 9.389 1.00 0.53 H new ATOM 0 HB3 SER A 54 7.690 5.381 10.232 1.00 0.53 H new ATOM 0 HG SER A 54 5.838 6.133 8.194 1.00 1.17 H new ATOM 805 N ARG A 55 8.211 2.370 8.408 1.00 0.35 N ATOM 806 CA ARG A 55 8.693 1.046 8.758 1.00 0.37 C ATOM 807 C ARG A 55 9.897 0.589 7.915 1.00 0.31 C ATOM 808 O ARG A 55 10.903 0.161 8.459 1.00 0.36 O ATOM 809 CB ARG A 55 7.550 0.009 8.727 1.00 0.48 C ATOM 810 CG ARG A 55 7.987 -1.427 9.020 1.00 0.61 C ATOM 811 CD ARG A 55 6.795 -2.354 9.236 1.00 0.85 C ATOM 812 NE ARG A 55 6.042 -1.973 10.435 1.00 1.35 N ATOM 813 CZ ARG A 55 5.030 -2.643 10.996 1.00 2.03 C ATOM 814 NH1 ARG A 55 4.553 -3.768 10.451 1.00 2.37 N ATOM 815 NH2 ARG A 55 4.501 -2.183 12.115 1.00 2.81 N ATOM 0 H ARG A 55 7.280 2.384 7.992 1.00 0.35 H new ATOM 0 HA ARG A 55 9.060 1.118 9.782 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.793 0.300 9.455 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.077 0.038 7.745 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.590 -1.799 8.191 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.621 -1.439 9.906 1.00 0.61 H new ATOM 0 HD2 ARG A 55 6.140 -2.319 8.365 1.00 0.85 H new ATOM 0 HD3 ARG A 55 7.143 -3.383 9.332 1.00 0.85 H new ATOM 0 HE ARG A 55 6.320 -1.103 10.890 1.00 1.35 H new ATOM 0 HH11 ARG A 55 4.962 -4.131 9.590 1.00 2.37 H new ATOM 0 HH12 ARG A 55 3.780 -4.263 10.896 1.00 2.37 H new ATOM 0 HH21 ARG A 55 4.865 -1.329 12.538 1.00 2.81 H new ATOM 0 HH22 ARG A 55 3.728 -2.682 12.556 1.00 2.81 H new ATOM 829 N TYR A 56 9.819 0.720 6.606 1.00 0.28 N ATOM 830 CA TYR A 56 10.857 0.143 5.747 1.00 0.31 C ATOM 831 C TYR A 56 11.909 1.146 5.303 1.00 0.33 C ATOM 832 O TYR A 56 12.965 0.756 4.822 1.00 0.43 O ATOM 833 CB TYR A 56 10.236 -0.567 4.543 1.00 0.34 C ATOM 834 CG TYR A 56 9.264 -1.652 4.940 1.00 0.41 C ATOM 835 CD1 TYR A 56 9.707 -2.915 5.306 1.00 0.53 C ATOM 836 CD2 TYR A 56 7.905 -1.403 4.971 1.00 0.45 C ATOM 837 CE1 TYR A 56 8.814 -3.895 5.693 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.011 -2.367 5.358 1.00 0.57 C ATOM 839 CZ TYR A 56 7.465 -3.611 5.717 1.00 0.66 C ATOM 840 OH TYR A 56 6.568 -4.569 6.100 1.00 0.80 O ATOM 0 H TYR A 56 9.070 1.207 6.114 1.00 0.28 H new ATOM 0 HA TYR A 56 11.382 -0.590 6.360 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.721 0.165 3.921 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.029 -1.001 3.934 1.00 0.34 H new ATOM 0 HD1 TYR A 56 10.764 -3.135 5.288 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.540 -0.428 4.684 1.00 0.45 H new ATOM 0 HE1 TYR A 56 9.169 -4.875 5.974 1.00 0.64 H new ATOM 0 HE2 TYR A 56 5.954 -2.148 5.380 1.00 0.57 H new ATOM 0 HH TYR A 56 5.660 -4.202 6.061 1.00 0.80 H new ATOM 850 N GLY A 57 11.640 2.414 5.473 1.00 0.31 N ATOM 851 CA GLY A 57 12.604 3.424 5.083 1.00 0.38 C ATOM 852 C GLY A 57 12.398 3.891 3.660 1.00 0.38 C ATOM 853 O GLY A 57 13.337 4.308 2.992 1.00 0.53 O ATOM 0 H GLY A 57 10.774 2.775 5.873 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.528 4.276 5.758 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.612 3.022 5.189 1.00 0.38 H new ATOM 857 N VAL A 58 11.168 3.833 3.205 1.00 0.37 N ATOM 858 CA VAL A 58 10.830 4.260 1.859 1.00 0.37 C ATOM 859 C VAL A 58 10.202 5.637 1.900 1.00 0.34 C ATOM 860 O VAL A 58 10.027 6.195 2.978 1.00 0.33 O ATOM 861 CB VAL A 58 9.901 3.263 1.095 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.501 1.904 1.071 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.527 3.178 1.706 1.00 0.33 C ATOM 0 H VAL A 58 10.376 3.492 3.749 1.00 0.37 H new ATOM 0 HA VAL A 58 11.765 4.287 1.299 1.00 0.37 H new ATOM 0 HB VAL A 58 9.801 3.648 0.080 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.840 1.224 0.535 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.468 1.942 0.568 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.637 1.548 2.092 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.920 2.472 1.139 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.608 2.839 2.739 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.057 4.161 1.683 1.00 0.33 H new ATOM 873 N SER A 59 9.896 6.193 0.758 1.00 0.37 N ATOM 874 CA SER A 59 9.233 7.463 0.708 1.00 0.41 C ATOM 875 C SER A 59 8.318 7.491 -0.520 1.00 0.38 C ATOM 876 O SER A 59 8.740 7.153 -1.632 1.00 0.47 O ATOM 877 CB SER A 59 10.261 8.608 0.686 1.00 0.56 C ATOM 878 OG SER A 59 9.644 9.874 0.877 1.00 1.54 O ATOM 0 H SER A 59 10.098 5.782 -0.153 1.00 0.37 H new ATOM 0 HA SER A 59 8.624 7.604 1.601 1.00 0.41 H new ATOM 0 HB2 SER A 59 11.004 8.444 1.466 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.792 8.602 -0.266 1.00 0.56 H new ATOM 0 HG SER A 59 10.327 10.577 0.859 1.00 1.54 H new ATOM 884 N ILE A 60 7.060 7.801 -0.289 1.00 0.31 N ATOM 885 CA ILE A 60 6.029 7.875 -1.315 1.00 0.31 C ATOM 886 C ILE A 60 5.291 9.187 -1.107 1.00 0.34 C ATOM 887 O ILE A 60 4.661 9.378 -0.063 1.00 0.40 O ATOM 888 CB ILE A 60 4.952 6.689 -1.240 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.524 5.281 -1.563 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.769 6.963 -2.169 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.534 4.752 -0.594 1.00 0.59 C ATOM 0 H ILE A 60 6.711 8.016 0.645 1.00 0.31 H new ATOM 0 HA ILE A 60 6.520 7.795 -2.285 1.00 0.31 H new ATOM 0 HB ILE A 60 4.631 6.674 -0.199 1.00 0.33 H new ATOM 0 HG12 ILE A 60 4.695 4.576 -1.616 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.979 5.313 -2.553 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.054 6.143 -2.099 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.284 7.894 -1.876 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.125 7.047 -3.196 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.865 3.765 -0.916 1.00 0.59 H new ATOM 0 HD12 ILE A 60 7.389 5.427 -0.555 1.00 0.59 H new ATOM 0 HD13 ILE A 60 6.084 4.679 0.396 1.00 0.59 H new ATOM 903 N PRO A 61 5.392 10.122 -2.055 1.00 0.37 N ATOM 904 CA PRO A 61 4.700 11.409 -1.963 1.00 0.45 C ATOM 905 C PRO A 61 3.175 11.236 -1.841 1.00 0.41 C ATOM 906 O PRO A 61 2.581 10.320 -2.441 1.00 0.35 O ATOM 907 CB PRO A 61 5.068 12.114 -3.267 1.00 0.54 C ATOM 908 CG PRO A 61 6.324 11.450 -3.714 1.00 0.56 C ATOM 909 CD PRO A 61 6.204 10.021 -3.278 1.00 0.43 C ATOM 0 HA PRO A 61 4.993 11.970 -1.076 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.278 12.009 -4.011 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.219 13.182 -3.111 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.441 11.521 -4.795 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.198 11.924 -3.267 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.719 9.406 -4.036 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.179 9.575 -3.081 1.00 0.43 H new ATOM 917 N ASP A 62 2.568 12.123 -1.077 1.00 0.51 N ATOM 918 CA ASP A 62 1.133 12.098 -0.739 1.00 0.55 C ATOM 919 C ASP A 62 0.269 12.095 -1.978 1.00 0.45 C ATOM 920 O ASP A 62 -0.708 11.357 -2.063 1.00 0.46 O ATOM 921 CB ASP A 62 0.742 13.312 0.127 1.00 0.77 C ATOM 922 CG ASP A 62 1.522 13.417 1.416 1.00 1.28 C ATOM 923 OD1 ASP A 62 1.142 12.785 2.417 1.00 1.99 O ATOM 924 OD2 ASP A 62 2.553 14.128 1.441 1.00 1.64 O ATOM 0 H ASP A 62 3.062 12.909 -0.655 1.00 0.51 H new ATOM 0 HA ASP A 62 0.964 11.178 -0.180 1.00 0.55 H new ATOM 0 HB2 ASP A 62 0.891 14.223 -0.452 1.00 0.77 H new ATOM 0 HB3 ASP A 62 -0.321 13.253 0.360 1.00 0.77 H new ATOM 929 N ASP A 63 0.668 12.874 -2.961 1.00 0.44 N ATOM 930 CA ASP A 63 -0.113 13.036 -4.183 1.00 0.45 C ATOM 931 C ASP A 63 -0.029 11.773 -5.025 1.00 0.40 C ATOM 932 O ASP A 63 -0.973 11.411 -5.695 1.00 0.48 O ATOM 933 CB ASP A 63 0.395 14.235 -4.996 1.00 0.58 C ATOM 934 CG ASP A 63 1.742 13.988 -5.650 1.00 1.37 C ATOM 935 OD1 ASP A 63 2.767 13.989 -4.936 1.00 2.18 O ATOM 936 OD2 ASP A 63 1.781 13.770 -6.891 1.00 1.66 O ATOM 0 H ASP A 63 1.535 13.412 -2.943 1.00 0.44 H new ATOM 0 HA ASP A 63 -1.151 13.217 -3.906 1.00 0.45 H new ATOM 0 HB2 ASP A 63 -0.336 14.479 -5.767 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.470 15.103 -4.342 1.00 0.58 H new ATOM 941 N VAL A 64 1.090 11.087 -4.925 1.00 0.34 N ATOM 942 CA VAL A 64 1.318 9.852 -5.645 1.00 0.37 C ATOM 943 C VAL A 64 0.513 8.754 -4.982 1.00 0.36 C ATOM 944 O VAL A 64 -0.103 7.930 -5.654 1.00 0.43 O ATOM 945 CB VAL A 64 2.817 9.487 -5.640 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.070 8.217 -6.433 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.647 10.627 -6.210 1.00 0.50 C ATOM 0 H VAL A 64 1.873 11.373 -4.337 1.00 0.34 H new ATOM 0 HA VAL A 64 1.006 9.972 -6.682 1.00 0.37 H new ATOM 0 HB VAL A 64 3.115 9.315 -4.606 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.134 7.982 -6.414 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.508 7.394 -5.991 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.749 8.362 -7.465 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.701 10.351 -6.198 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.336 10.826 -7.235 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.500 11.522 -5.606 1.00 0.50 H new ATOM 957 N ALA A 65 0.509 8.760 -3.658 1.00 0.35 N ATOM 958 CA ALA A 65 -0.305 7.839 -2.888 1.00 0.39 C ATOM 959 C ALA A 65 -1.789 8.017 -3.246 1.00 0.41 C ATOM 960 O ALA A 65 -2.526 7.069 -3.320 1.00 0.45 O ATOM 961 CB ALA A 65 -0.073 8.044 -1.403 1.00 0.44 C ATOM 0 H ALA A 65 1.067 9.400 -3.092 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.015 6.818 -3.136 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.691 7.346 -0.838 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.977 7.868 -1.171 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.339 9.065 -1.131 1.00 0.44 H new ATOM 967 N GLY A 66 -2.193 9.247 -3.509 1.00 0.47 N ATOM 968 CA GLY A 66 -3.567 9.505 -3.908 1.00 0.55 C ATOM 969 C GLY A 66 -3.774 9.382 -5.418 1.00 0.58 C ATOM 970 O GLY A 66 -4.883 9.567 -5.917 1.00 0.81 O ATOM 0 H GLY A 66 -1.599 10.074 -3.455 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.228 8.805 -3.396 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.853 10.506 -3.586 1.00 0.55 H new ATOM 974 N ARG A 67 -2.712 9.053 -6.129 1.00 0.54 N ATOM 975 CA ARG A 67 -2.731 8.938 -7.587 1.00 0.61 C ATOM 976 C ARG A 67 -2.877 7.480 -8.020 1.00 0.52 C ATOM 977 O ARG A 67 -3.480 7.191 -9.049 1.00 0.59 O ATOM 978 CB ARG A 67 -1.433 9.537 -8.168 1.00 0.75 C ATOM 979 CG ARG A 67 -1.231 9.351 -9.663 1.00 1.32 C ATOM 980 CD ARG A 67 0.109 9.921 -10.102 1.00 1.55 C ATOM 981 NE ARG A 67 0.424 9.604 -11.504 1.00 1.97 N ATOM 982 CZ ARG A 67 1.537 10.013 -12.150 1.00 2.53 C ATOM 983 NH1 ARG A 67 2.382 10.873 -11.562 1.00 2.73 N ATOM 984 NH2 ARG A 67 1.789 9.579 -13.394 1.00 3.33 N ATOM 0 H ARG A 67 -1.802 8.855 -5.714 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.590 9.490 -7.969 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.417 10.605 -7.948 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.585 9.092 -7.648 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -1.279 8.291 -9.912 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.037 9.843 -10.207 1.00 1.32 H new ATOM 0 HD2 ARG A 67 0.101 11.003 -9.971 1.00 1.55 H new ATOM 0 HD3 ARG A 67 0.896 9.528 -9.458 1.00 1.55 H new ATOM 0 HE ARG A 67 -0.245 9.036 -12.024 1.00 1.97 H new ATOM 0 HH11 ARG A 67 2.185 11.220 -10.623 1.00 2.73 H new ATOM 0 HH12 ARG A 67 3.222 11.179 -12.053 1.00 2.73 H new ATOM 0 HH21 ARG A 67 1.140 8.940 -13.852 1.00 3.33 H new ATOM 0 HH22 ARG A 67 2.630 9.888 -13.881 1.00 3.33 H new ATOM 998 N VAL A 68 -2.354 6.580 -7.221 1.00 0.43 N ATOM 999 CA VAL A 68 -2.349 5.159 -7.554 1.00 0.39 C ATOM 1000 C VAL A 68 -3.715 4.499 -7.334 1.00 0.35 C ATOM 1001 O VAL A 68 -4.294 4.554 -6.245 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.230 4.398 -6.789 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.126 4.800 -7.334 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.278 4.699 -5.299 1.00 0.36 C ATOM 0 H VAL A 68 -1.920 6.801 -6.325 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.133 5.093 -8.620 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.391 3.330 -6.933 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.908 4.265 -6.795 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.180 4.552 -8.394 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.266 5.873 -7.205 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.483 4.152 -4.792 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.142 5.769 -5.139 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.244 4.392 -4.897 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.248 3.946 -8.400 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.541 3.264 -8.378 1.00 0.41 C ATOM 1016 C ASP A 69 -5.404 1.796 -8.006 1.00 0.28 C ATOM 1017 O ASP A 69 -6.222 1.259 -7.246 1.00 0.33 O ATOM 1018 CB ASP A 69 -6.232 3.404 -9.734 1.00 0.62 C ATOM 1019 CG ASP A 69 -7.533 2.626 -9.847 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -8.511 2.991 -9.156 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -7.583 1.610 -10.590 1.00 2.11 O ATOM 0 H ASP A 69 -3.801 3.952 -9.317 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.151 3.740 -7.610 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -6.434 4.459 -9.920 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -5.550 3.067 -10.515 1.00 0.62 H new ATOM 1026 N THR A 70 -4.389 1.137 -8.516 1.00 0.30 N ATOM 1027 CA THR A 70 -4.206 -0.252 -8.189 1.00 0.27 C ATOM 1028 C THR A 70 -3.054 -0.441 -7.183 1.00 0.24 C ATOM 1029 O THR A 70 -2.020 0.243 -7.268 1.00 0.25 O ATOM 1030 CB THR A 70 -4.026 -1.145 -9.453 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.888 -0.737 -10.227 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.276 -1.090 -10.323 1.00 0.36 C ATOM 0 H THR A 70 -3.692 1.533 -9.146 1.00 0.30 H new ATOM 0 HA THR A 70 -5.124 -0.589 -7.708 1.00 0.27 H new ATOM 0 HB THR A 70 -3.862 -2.167 -9.111 1.00 0.34 H new ATOM 0 HG1 THR A 70 -3.007 0.190 -10.520 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.135 -1.719 -11.202 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.132 -1.450 -9.753 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.456 -0.062 -10.637 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.236 -1.348 -6.190 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.244 -1.636 -5.143 1.00 0.22 C ATOM 1042 C PRO A 71 -0.895 -2.004 -5.702 1.00 0.22 C ATOM 1043 O PRO A 71 0.129 -1.716 -5.090 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.850 -2.826 -4.403 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.302 -2.669 -4.604 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.449 -2.139 -5.993 1.00 0.23 C ATOM 0 HA PRO A 71 -2.059 -0.765 -4.514 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.491 -3.772 -4.807 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.590 -2.813 -3.345 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.821 -3.621 -4.488 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.729 -1.982 -3.873 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.525 -2.945 -6.723 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.346 -1.529 -6.096 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.904 -2.647 -6.864 1.00 0.24 N ATOM 1055 CA ARG A 72 0.308 -3.034 -7.566 1.00 0.28 C ATOM 1056 C ARG A 72 1.241 -1.835 -7.741 1.00 0.27 C ATOM 1057 O ARG A 72 2.428 -1.915 -7.455 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.038 -3.638 -8.921 1.00 0.40 C ATOM 1059 CG ARG A 72 1.152 -4.138 -9.681 1.00 0.70 C ATOM 1060 CD ARG A 72 0.744 -4.766 -10.986 1.00 0.74 C ATOM 1061 NE ARG A 72 1.910 -5.180 -11.743 1.00 1.18 N ATOM 1062 CZ ARG A 72 1.890 -5.639 -12.989 1.00 1.71 C ATOM 1063 NH1 ARG A 72 0.737 -5.915 -13.580 1.00 1.88 N ATOM 1064 NH2 ARG A 72 3.030 -5.839 -13.646 1.00 2.72 N ATOM 0 H ARG A 72 -1.761 -2.915 -7.347 1.00 0.24 H new ATOM 0 HA ARG A 72 0.826 -3.784 -6.968 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.736 -4.462 -8.774 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.553 -2.888 -9.522 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.838 -3.312 -9.871 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.691 -4.868 -9.077 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.103 -5.627 -10.796 1.00 0.74 H new ATOM 0 HD3 ARG A 72 0.159 -4.056 -11.570 1.00 0.74 H new ATOM 0 HE ARG A 72 2.817 -5.113 -11.282 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -0.140 -5.775 -13.078 1.00 1.88 H new ATOM 0 HH12 ARG A 72 0.726 -6.267 -14.537 1.00 1.88 H new ATOM 0 HH21 ARG A 72 3.922 -5.640 -13.193 1.00 2.72 H new ATOM 0 HH22 ARG A 72 3.012 -6.192 -14.603 1.00 2.72 H new ATOM 1078 N GLU A 73 0.663 -0.722 -8.155 1.00 0.24 N ATOM 1079 CA GLU A 73 1.393 0.514 -8.402 1.00 0.26 C ATOM 1080 C GLU A 73 2.005 1.050 -7.117 1.00 0.25 C ATOM 1081 O GLU A 73 3.156 1.470 -7.096 1.00 0.32 O ATOM 1082 CB GLU A 73 0.449 1.544 -8.974 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.213 1.118 -10.255 1.00 0.50 C ATOM 1084 CD GLU A 73 -1.269 2.084 -10.674 1.00 1.41 C ATOM 1085 OE1 GLU A 73 -0.933 3.123 -11.270 1.00 1.82 O ATOM 1086 OE2 GLU A 73 -2.462 1.837 -10.393 1.00 2.21 O ATOM 0 H GLU A 73 -0.339 -0.647 -8.332 1.00 0.24 H new ATOM 0 HA GLU A 73 2.197 0.307 -9.108 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.321 1.767 -8.235 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.999 2.468 -9.150 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.536 1.033 -11.042 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.654 0.129 -10.126 1.00 0.50 H new ATOM 1093 N LEU A 74 1.239 0.988 -6.042 1.00 0.23 N ATOM 1094 CA LEU A 74 1.680 1.487 -4.749 1.00 0.26 C ATOM 1095 C LEU A 74 2.800 0.586 -4.238 1.00 0.25 C ATOM 1096 O LEU A 74 3.830 1.063 -3.771 1.00 0.28 O ATOM 1097 CB LEU A 74 0.462 1.533 -3.769 1.00 0.28 C ATOM 1098 CG LEU A 74 0.625 2.236 -2.384 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.499 1.452 -1.413 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.161 3.652 -2.556 1.00 1.11 C ATOM 0 H LEU A 74 0.299 0.593 -6.039 1.00 0.23 H new ATOM 0 HA LEU A 74 2.070 2.501 -4.830 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.361 2.022 -4.291 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.153 0.505 -3.581 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.371 2.279 -1.944 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.572 1.994 -0.470 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.056 0.472 -1.235 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.495 1.328 -1.838 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.266 4.122 -1.578 1.00 1.11 H new ATOM 0 HD22 LEU A 74 2.133 3.616 -3.048 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.467 4.232 -3.165 1.00 1.11 H new ATOM 1112 N LEU A 75 2.592 -0.716 -4.364 1.00 0.24 N ATOM 1113 CA LEU A 75 3.575 -1.717 -3.981 1.00 0.28 C ATOM 1114 C LEU A 75 4.881 -1.499 -4.745 1.00 0.28 C ATOM 1115 O LEU A 75 5.980 -1.579 -4.176 1.00 0.30 O ATOM 1116 CB LEU A 75 3.032 -3.120 -4.259 1.00 0.32 C ATOM 1117 CG LEU A 75 3.902 -4.278 -3.787 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.073 -4.221 -2.282 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.293 -5.604 -4.209 1.00 0.48 C ATOM 0 H LEU A 75 1.729 -1.110 -4.738 1.00 0.24 H new ATOM 0 HA LEU A 75 3.774 -1.620 -2.914 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.054 -3.210 -3.786 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.877 -3.222 -5.333 1.00 0.32 H new ATOM 0 HG LEU A 75 4.885 -4.192 -4.251 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.696 -5.053 -1.955 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.549 -3.280 -2.005 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.097 -4.289 -1.802 1.00 0.46 H new ATOM 0 HD21 LEU A 75 3.926 -6.421 -3.864 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.300 -5.704 -3.770 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.215 -5.639 -5.296 1.00 0.48 H new ATOM 1131 N ASP A 76 4.743 -1.194 -6.022 1.00 0.28 N ATOM 1132 CA ASP A 76 5.875 -0.939 -6.908 1.00 0.33 C ATOM 1133 C ASP A 76 6.658 0.297 -6.457 1.00 0.30 C ATOM 1134 O ASP A 76 7.894 0.311 -6.496 1.00 0.32 O ATOM 1135 CB ASP A 76 5.394 -0.775 -8.351 1.00 0.43 C ATOM 1136 CG ASP A 76 6.526 -0.571 -9.316 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.198 -1.572 -9.698 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.773 0.589 -9.717 1.00 0.68 O ATOM 0 H ASP A 76 3.836 -1.114 -6.482 1.00 0.28 H new ATOM 0 HA ASP A 76 6.546 -1.797 -6.860 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.826 -1.658 -8.644 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.714 0.075 -8.409 1.00 0.43 H new ATOM 1143 N LEU A 77 5.934 1.310 -5.989 1.00 0.29 N ATOM 1144 CA LEU A 77 6.539 2.541 -5.450 1.00 0.30 C ATOM 1145 C LEU A 77 7.398 2.213 -4.238 1.00 0.28 C ATOM 1146 O LEU A 77 8.473 2.802 -4.033 1.00 0.35 O ATOM 1147 CB LEU A 77 5.455 3.528 -5.028 1.00 0.35 C ATOM 1148 CG LEU A 77 4.541 4.045 -6.123 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.423 4.859 -5.515 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.326 4.883 -7.118 1.00 0.45 C ATOM 0 H LEU A 77 4.914 1.309 -5.969 1.00 0.29 H new ATOM 0 HA LEU A 77 7.154 2.987 -6.232 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.838 3.051 -4.267 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.939 4.383 -4.556 1.00 0.35 H new ATOM 0 HG LEU A 77 4.112 3.196 -6.655 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.770 5.228 -6.306 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.848 4.234 -4.831 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.843 5.703 -4.968 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.655 5.246 -7.897 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.777 5.731 -6.603 1.00 0.45 H new ATOM 0 HD23 LEU A 77 6.109 4.274 -7.569 1.00 0.45 H new ATOM 1162 N ILE A 78 6.909 1.281 -3.434 1.00 0.27 N ATOM 1163 CA ILE A 78 7.630 0.805 -2.271 1.00 0.29 C ATOM 1164 C ILE A 78 8.876 0.069 -2.756 1.00 0.30 C ATOM 1165 O ILE A 78 9.995 0.423 -2.404 1.00 0.31 O ATOM 1166 CB ILE A 78 6.783 -0.207 -1.443 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.378 0.332 -1.126 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.513 -0.556 -0.153 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.347 1.584 -0.286 1.00 0.38 C ATOM 0 H ILE A 78 6.002 0.836 -3.572 1.00 0.27 H new ATOM 0 HA ILE A 78 7.870 1.662 -1.642 1.00 0.29 H new ATOM 0 HB ILE A 78 6.656 -1.103 -2.050 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.862 0.530 -2.065 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.815 -0.446 -0.611 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.917 -1.264 0.422 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.478 -1.004 -0.391 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.668 0.349 0.434 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.313 1.884 -0.118 1.00 0.38 H new ATOM 0 HD12 ILE A 78 5.829 1.391 0.672 1.00 0.38 H new ATOM 0 HD13 ILE A 78 5.877 2.383 -0.804 1.00 0.38 H new ATOM 1181 N ASN A 79 8.651 -0.954 -3.592 1.00 0.34 N ATOM 1182 CA ASN A 79 9.724 -1.828 -4.126 1.00 0.41 C ATOM 1183 C ASN A 79 10.841 -1.039 -4.788 1.00 0.38 C ATOM 1184 O ASN A 79 12.020 -1.376 -4.636 1.00 0.42 O ATOM 1185 CB ASN A 79 9.186 -2.875 -5.127 1.00 0.53 C ATOM 1186 CG ASN A 79 8.434 -4.063 -4.513 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.480 -5.161 -5.048 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.717 -3.865 -3.432 1.00 0.63 N ATOM 0 H ASN A 79 7.719 -1.206 -3.923 1.00 0.34 H new ATOM 0 HA ASN A 79 10.128 -2.346 -3.256 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.520 -2.371 -5.828 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.025 -3.261 -5.706 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.186 -4.634 -3.024 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.691 -2.942 -2.999 1.00 0.63 H new ATOM 1195 N GLY A 80 10.474 0.006 -5.507 1.00 0.38 N ATOM 1196 CA GLY A 80 11.453 0.840 -6.172 1.00 0.42 C ATOM 1197 C GLY A 80 12.347 1.564 -5.190 1.00 0.38 C ATOM 1198 O GLY A 80 13.570 1.582 -5.344 1.00 0.46 O ATOM 0 H GLY A 80 9.506 0.296 -5.644 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.064 0.224 -6.832 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.941 1.569 -6.800 1.00 0.42 H new ATOM 1202 N ALA A 81 11.744 2.107 -4.147 1.00 0.31 N ATOM 1203 CA ALA A 81 12.485 2.837 -3.137 1.00 0.32 C ATOM 1204 C ALA A 81 13.344 1.883 -2.311 1.00 0.33 C ATOM 1205 O ALA A 81 14.466 2.219 -1.945 1.00 0.45 O ATOM 1206 CB ALA A 81 11.540 3.630 -2.248 1.00 0.33 C ATOM 0 H ALA A 81 10.739 2.055 -3.978 1.00 0.31 H new ATOM 0 HA ALA A 81 13.148 3.543 -3.636 1.00 0.32 H new ATOM 0 HB1 ALA A 81 12.115 4.171 -1.497 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.979 4.340 -2.856 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.848 2.949 -1.754 1.00 0.33 H new ATOM 1212 N LEU A 82 12.814 0.682 -2.069 1.00 0.29 N ATOM 1213 CA LEU A 82 13.513 -0.379 -1.326 1.00 0.36 C ATOM 1214 C LEU A 82 14.824 -0.761 -2.004 1.00 0.46 C ATOM 1215 O LEU A 82 15.859 -0.853 -1.356 1.00 0.61 O ATOM 1216 CB LEU A 82 12.618 -1.620 -1.200 1.00 0.42 C ATOM 1217 CG LEU A 82 11.390 -1.488 -0.299 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.468 -2.674 -0.487 1.00 0.74 C ATOM 1219 CD2 LEU A 82 11.814 -1.399 1.155 1.00 0.67 C ATOM 0 H LEU A 82 11.882 0.413 -2.383 1.00 0.29 H new ATOM 0 HA LEU A 82 13.740 0.008 -0.333 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.280 -1.900 -2.198 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.227 -2.443 -0.827 1.00 0.42 H new ATOM 0 HG LEU A 82 10.858 -0.577 -0.574 1.00 0.55 H new ATOM 0 HD11 LEU A 82 9.599 -2.565 0.161 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.142 -2.721 -1.526 1.00 0.74 H new ATOM 0 HD13 LEU A 82 10.998 -3.591 -0.232 1.00 0.74 H new ATOM 0 HD21 LEU A 82 10.931 -1.305 1.787 1.00 0.67 H new ATOM 0 HD22 LEU A 82 12.363 -2.300 1.430 1.00 0.67 H new ATOM 0 HD23 LEU A 82 12.454 -0.528 1.295 1.00 0.67 H new ATOM 1231 N ALA A 83 14.765 -0.979 -3.312 1.00 0.54 N ATOM 1232 CA ALA A 83 15.945 -1.348 -4.097 1.00 0.69 C ATOM 1233 C ALA A 83 16.979 -0.235 -4.092 1.00 0.73 C ATOM 1234 O ALA A 83 18.191 -0.481 -4.128 1.00 0.84 O ATOM 1235 CB ALA A 83 15.549 -1.674 -5.524 1.00 0.88 C ATOM 0 H ALA A 83 13.907 -0.907 -3.859 1.00 0.54 H new ATOM 0 HA ALA A 83 16.388 -2.231 -3.636 1.00 0.69 H new ATOM 0 HB1 ALA A 83 16.437 -1.946 -6.095 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.847 -2.508 -5.525 1.00 0.88 H new ATOM 0 HB3 ALA A 83 15.078 -0.803 -5.979 1.00 0.88 H new ATOM 1241 N GLU A 84 16.494 0.977 -4.048 1.00 0.82 N ATOM 1242 CA GLU A 84 17.327 2.139 -4.078 1.00 1.07 C ATOM 1243 C GLU A 84 18.009 2.376 -2.728 1.00 1.53 C ATOM 1244 O GLU A 84 19.238 2.364 -2.644 1.00 1.82 O ATOM 1245 CB GLU A 84 16.497 3.340 -4.491 1.00 1.50 C ATOM 1246 CG GLU A 84 17.262 4.634 -4.553 1.00 2.18 C ATOM 1247 CD GLU A 84 16.384 5.754 -4.978 1.00 2.92 C ATOM 1248 OE1 GLU A 84 15.615 6.272 -4.146 1.00 3.21 O ATOM 1249 OE2 GLU A 84 16.461 6.158 -6.150 1.00 3.64 O ATOM 0 H GLU A 84 15.497 1.183 -3.990 1.00 0.82 H new ATOM 0 HA GLU A 84 18.120 1.984 -4.809 1.00 1.07 H new ATOM 0 HB2 GLU A 84 16.059 3.144 -5.470 1.00 1.50 H new ATOM 0 HB3 GLU A 84 15.671 3.454 -3.789 1.00 1.50 H new ATOM 0 HG2 GLU A 84 17.690 4.854 -3.575 1.00 2.18 H new ATOM 0 HG3 GLU A 84 18.094 4.535 -5.250 1.00 2.18 H new ATOM 1256 N ALA A 85 17.223 2.563 -1.690 1.00 2.09 N ATOM 1257 CA ALA A 85 17.743 2.846 -0.366 1.00 2.99 C ATOM 1258 C ALA A 85 16.643 2.705 0.653 1.00 3.79 C ATOM 1259 O ALA A 85 15.673 3.474 0.631 1.00 4.38 O ATOM 1260 CB ALA A 85 18.326 4.258 -0.303 1.00 3.58 C ATOM 0 H ALA A 85 16.205 2.524 -1.738 1.00 2.09 H new ATOM 0 HA ALA A 85 18.538 2.133 -0.147 1.00 2.99 H new ATOM 0 HB1 ALA A 85 18.710 4.449 0.699 1.00 3.58 H new ATOM 0 HB2 ALA A 85 19.137 4.350 -1.026 1.00 3.58 H new ATOM 0 HB3 ALA A 85 17.547 4.984 -0.537 1.00 3.58 H new ATOM 1266 N ALA A 86 16.767 1.716 1.502 1.00 4.29 N ATOM 1267 CA ALA A 86 15.810 1.485 2.546 1.00 5.37 C ATOM 1268 C ALA A 86 16.527 1.478 3.892 1.00 6.06 C ATOM 1269 O ALA A 86 16.767 0.395 4.461 1.00 6.58 O ATOM 1270 CB ALA A 86 15.081 0.169 2.307 1.00 6.00 C ATOM 1271 OXT ALA A 86 16.912 2.566 4.366 1.00 6.33 O ATOM 0 H ALA A 86 17.538 1.048 1.486 1.00 4.29 H new ATOM 0 HA ALA A 86 15.067 2.283 2.548 1.00 5.37 H new ATOM 0 HB1 ALA A 86 14.357 0.004 3.105 1.00 6.00 H new ATOM 0 HB2 ALA A 86 14.562 0.209 1.349 1.00 6.00 H new ATOM 0 HB3 ALA A 86 15.801 -0.649 2.295 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -9.017 11.435 -0.931 1.00 1.37 P HETATM 1279 O26 SXA A 87 -9.772 10.419 -1.842 1.00 2.26 O HETATM 1280 O23 SXA A 87 -9.805 12.153 0.186 1.00 1.84 O HETATM 1281 O27 SXA A 87 -8.327 12.474 -1.802 1.00 1.75 O HETATM 1282 C28 SXA A 87 -9.140 13.336 -2.644 1.00 2.13 C HETATM 1283 C29 SXA A 87 -8.231 14.240 -3.490 1.00 3.11 C HETATM 1284 C30 SXA A 87 -7.396 15.058 -2.505 1.00 3.58 C HETATM 1285 C31 SXA A 87 -7.307 13.372 -4.365 1.00 3.66 C HETATM 1286 C32 SXA A 87 -9.125 15.178 -4.433 1.00 3.95 C HETATM 1287 O33 SXA A 87 -9.975 14.377 -5.251 1.00 4.27 O HETATM 1288 C34 SXA A 87 -8.264 16.013 -5.400 1.00 4.82 C HETATM 1289 O35 SXA A 87 -8.355 15.801 -6.620 1.00 5.39 O HETATM 1290 N36 SXA A 87 -7.447 16.908 -4.885 1.00 5.21 N HETATM 1291 C37 SXA A 87 -6.542 17.772 -5.653 1.00 6.20 C HETATM 1292 C38 SXA A 87 -5.359 18.272 -4.811 1.00 6.79 C HETATM 1293 C39 SXA A 87 -4.476 17.149 -4.239 1.00 6.69 C HETATM 1294 O40 SXA A 87 -4.620 15.963 -4.566 1.00 7.13 O HETATM 1295 N41 SXA A 87 -3.573 17.555 -3.372 1.00 6.49 N HETATM 1296 C42 SXA A 87 -2.625 16.689 -2.681 1.00 6.81 C HETATM 1297 C43 SXA A 87 -2.170 17.330 -1.386 1.00 6.95 C HETATM 1298 S1 SXA A 87 -1.097 16.290 -0.527 1.00 7.34 S HETATM 1299 C1 SXA A 87 -0.834 17.325 0.844 1.00 7.74 C HETATM 1300 O1 SXA A 87 -1.354 18.463 0.968 1.00 7.80 O HETATM 1301 C2 SXA A 87 0.082 16.759 1.907 1.00 8.41 C HETATM 0 HO33 SXA A 87 -9.754 14.524 -6.194 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -3.533 18.553 -3.167 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -7.443 17.009 -3.870 1.00 5.21 H new HETATM 0 H43A SXA A 87 -1.672 18.276 -1.599 1.00 6.95 H new HETATM 0 H42A SXA A 87 -3.088 15.725 -2.473 1.00 6.81 H new HETATM 0 H38A SXA A 87 -4.742 18.928 -5.425 1.00 6.79 H new HETATM 0 H37A SXA A 87 -6.165 17.223 -6.516 1.00 6.20 H new HETATM 0 H31B SXA A 87 -6.692 12.737 -3.727 1.00 3.66 H new HETATM 0 H31A SXA A 87 -7.911 12.748 -5.024 1.00 3.66 H new HETATM 0 H30B SXA A 87 -8.057 15.652 -1.873 1.00 3.58 H new HETATM 0 H30A SXA A 87 -6.806 14.386 -1.882 1.00 3.58 H new HETATM 0 H28A SXA A 87 -9.775 12.733 -3.293 1.00 2.13 H new HETATM 0 H43 SXA A 87 -3.036 17.558 -0.765 1.00 6.95 H new HETATM 0 H42 SXA A 87 -1.764 16.498 -3.321 1.00 6.81 H new HETATM 0 H38 SXA A 87 -5.742 18.874 -3.987 1.00 6.79 H new HETATM 0 H37 SXA A 87 -7.098 18.627 -6.037 1.00 6.20 H new HETATM 0 H32 SXA A 87 -9.689 15.833 -3.769 1.00 3.95 H new HETATM 0 H31 SXA A 87 -6.663 14.016 -4.964 1.00 3.66 H new HETATM 0 H30 SXA A 87 -6.729 15.721 -3.056 1.00 3.58 H new HETATM 0 H2B SXA A 87 -0.339 15.831 2.293 1.00 8.41 H new HETATM 0 H2A SXA A 87 1.062 16.560 1.474 1.00 8.41 H new HETATM 0 H28 SXA A 87 -9.801 13.944 -2.027 1.00 2.13 H new HETATM 0 H2 SXA A 87 0.183 17.478 2.720 1.00 8.41 H new