USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 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 -48:sc= 0.82 USER MOD Set 1.2: A 48 THR OG1 : rot 71:sc= -0.387 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.14 (180deg=-0.714) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.355 (180deg=-1.16!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -19:sc= 0.395 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 148:sc= 0.208 USER MOD Single : A 27 SER OG : rot 108:sc= 1.17 USER MOD Single : A 40 TYR OH : rot -148:sc= -0.942! USER MOD Single : A 46 MET CE :methyl -122:sc= -1.89 (180deg=-4.89!) USER MOD Single : A 54 SER OG : rot 71:sc= 0.975 USER MOD Single : A 56 TYR OH : rot 180:sc= 0.0595 USER MOD Single : A 59 SER OG : rot 15:sc= 1.22 USER MOD Single : A 70 THR OG1 : rot -63:sc= 0.795 USER MOD Single : A 79 ASN : amide:sc= 0.165 K(o=0.16,f=-0.35) USER MOD Single : A 87 SXA O33 : rot -116:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.933 -4.900 -0.688 1.00 4.19 N ATOM 2 CA MET A 1 19.767 -5.785 -0.573 1.00 3.33 C ATOM 3 C MET A 1 18.677 -5.109 0.212 1.00 2.81 C ATOM 4 O MET A 1 18.950 -4.325 1.128 1.00 3.10 O ATOM 5 CB MET A 1 20.120 -7.119 0.110 1.00 3.38 C ATOM 6 CG MET A 1 20.995 -8.041 -0.712 1.00 4.12 C ATOM 7 SD MET A 1 21.333 -9.621 0.114 1.00 4.79 S ATOM 8 CE MET A 1 19.676 -10.293 0.282 1.00 5.54 C ATOM 0 H1 MET A 1 21.404 -5.063 -1.601 1.00 4.19 H new ATOM 0 H2 MET A 1 20.623 -3.909 -0.631 1.00 4.19 H new ATOM 0 H3 MET A 1 21.598 -5.100 0.086 1.00 4.19 H new ATOM 0 HA MET A 1 19.426 -5.997 -1.586 1.00 3.33 H new ATOM 0 HB2 MET A 1 20.625 -6.906 1.052 1.00 3.38 H new ATOM 0 HB3 MET A 1 19.195 -7.641 0.355 1.00 3.38 H new ATOM 0 HG2 MET A 1 20.511 -8.234 -1.669 1.00 4.12 H new ATOM 0 HG3 MET A 1 21.939 -7.541 -0.927 1.00 4.12 H new ATOM 0 HE1 MET A 1 19.735 -11.368 0.451 1.00 5.54 H new ATOM 0 HE2 MET A 1 19.175 -9.820 1.127 1.00 5.54 H new ATOM 0 HE3 MET A 1 19.111 -10.099 -0.630 1.00 5.54 H new ATOM 20 N ALA A 2 17.454 -5.404 -0.151 1.00 2.62 N ATOM 21 CA ALA A 2 16.285 -4.862 0.495 1.00 2.47 C ATOM 22 C ALA A 2 15.124 -5.766 0.189 1.00 1.86 C ATOM 23 O ALA A 2 15.128 -6.442 -0.847 1.00 1.91 O ATOM 24 CB ALA A 2 15.997 -3.454 -0.003 1.00 3.03 C ATOM 0 H ALA A 2 17.239 -6.040 -0.919 1.00 2.62 H new ATOM 0 HA ALA A 2 16.451 -4.805 1.571 1.00 2.47 H new ATOM 0 HB1 ALA A 2 15.111 -3.065 0.498 1.00 3.03 H new ATOM 0 HB2 ALA A 2 16.849 -2.810 0.214 1.00 3.03 H new ATOM 0 HB3 ALA A 2 15.825 -3.477 -1.079 1.00 3.03 H new ATOM 30 N THR A 3 14.167 -5.806 1.065 1.00 1.56 N ATOM 31 CA THR A 3 13.015 -6.638 0.885 1.00 1.14 C ATOM 32 C THR A 3 12.056 -5.977 -0.105 1.00 0.93 C ATOM 33 O THR A 3 11.405 -4.977 0.212 1.00 1.17 O ATOM 34 CB THR A 3 12.296 -6.797 2.242 1.00 1.54 C ATOM 35 OG1 THR A 3 13.236 -7.252 3.227 1.00 1.88 O ATOM 36 CG2 THR A 3 11.154 -7.806 2.144 1.00 1.93 C ATOM 0 H THR A 3 14.162 -5.261 1.927 1.00 1.56 H new ATOM 0 HA THR A 3 13.324 -7.611 0.503 1.00 1.14 H new ATOM 0 HB THR A 3 11.884 -5.829 2.526 1.00 1.54 H new ATOM 0 HG1 THR A 3 12.783 -7.352 4.090 1.00 1.88 H new ATOM 0 HG21 THR A 3 10.665 -7.898 3.114 1.00 1.93 H new ATOM 0 HG22 THR A 3 10.430 -7.465 1.404 1.00 1.93 H new ATOM 0 HG23 THR A 3 11.550 -8.776 1.844 1.00 1.93 H new ATOM 44 N LEU A 4 11.996 -6.498 -1.303 1.00 0.66 N ATOM 45 CA LEU A 4 11.057 -6.005 -2.263 1.00 0.56 C ATOM 46 C LEU A 4 9.711 -6.602 -1.925 1.00 0.50 C ATOM 47 O LEU A 4 9.452 -7.782 -2.184 1.00 0.76 O ATOM 48 CB LEU A 4 11.498 -6.311 -3.700 1.00 0.65 C ATOM 49 CG LEU A 4 12.848 -5.695 -4.115 1.00 0.79 C ATOM 50 CD1 LEU A 4 13.173 -6.022 -5.559 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.850 -4.188 -3.898 1.00 0.86 C ATOM 0 H LEU A 4 12.587 -7.262 -1.632 1.00 0.66 H new ATOM 0 HA LEU A 4 10.996 -4.918 -2.214 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.557 -7.392 -3.823 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.728 -5.954 -4.384 1.00 0.65 H new ATOM 0 HG LEU A 4 13.620 -6.133 -3.483 1.00 0.79 H new ATOM 0 HD11 LEU A 4 14.131 -5.575 -5.827 1.00 0.96 H new ATOM 0 HD12 LEU A 4 13.229 -7.103 -5.683 1.00 0.96 H new ATOM 0 HD13 LEU A 4 12.393 -5.623 -6.207 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.814 -3.778 -4.199 1.00 0.86 H new ATOM 0 HD22 LEU A 4 12.060 -3.733 -4.496 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.677 -3.972 -2.844 1.00 0.86 H new ATOM 63 N LEU A 5 8.914 -5.789 -1.256 1.00 0.36 N ATOM 64 CA LEU A 5 7.631 -6.176 -0.690 1.00 0.36 C ATOM 65 C LEU A 5 6.707 -6.831 -1.674 1.00 0.39 C ATOM 66 O LEU A 5 6.649 -6.456 -2.849 1.00 0.52 O ATOM 67 CB LEU A 5 6.940 -4.993 -0.050 1.00 0.42 C ATOM 68 CG LEU A 5 7.720 -4.270 1.031 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.834 -3.250 1.697 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.284 -5.248 2.048 1.00 0.54 C ATOM 0 H LEU A 5 9.147 -4.811 -1.085 1.00 0.36 H new ATOM 0 HA LEU A 5 7.864 -6.923 0.069 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.692 -4.276 -0.832 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.998 -5.336 0.378 1.00 0.42 H new ATOM 0 HG LEU A 5 8.565 -3.758 0.571 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.396 -2.731 2.474 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.489 -2.529 0.956 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.975 -3.751 2.144 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.838 -4.701 2.811 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.467 -5.797 2.517 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.952 -5.949 1.547 1.00 0.54 H new ATOM 82 N THR A 6 5.970 -7.765 -1.168 1.00 0.36 N ATOM 83 CA THR A 6 5.084 -8.568 -1.933 1.00 0.41 C ATOM 84 C THR A 6 3.624 -8.295 -1.577 1.00 0.30 C ATOM 85 O THR A 6 3.316 -7.338 -0.826 1.00 0.24 O ATOM 86 CB THR A 6 5.399 -10.060 -1.720 1.00 0.56 C ATOM 87 OG1 THR A 6 5.403 -10.361 -0.299 1.00 0.59 O ATOM 88 CG2 THR A 6 6.744 -10.427 -2.323 1.00 0.79 C ATOM 0 H THR A 6 5.971 -7.995 -0.174 1.00 0.36 H new ATOM 0 HA THR A 6 5.230 -8.309 -2.982 1.00 0.41 H new ATOM 0 HB THR A 6 4.628 -10.647 -2.220 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.502 -9.530 0.211 1.00 0.59 H new ATOM 0 HG21 THR A 6 6.940 -11.486 -2.157 1.00 0.79 H new ATOM 0 HG22 THR A 6 6.730 -10.223 -3.394 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.528 -9.835 -1.851 1.00 0.79 H new ATOM 96 N THR A 7 2.755 -9.147 -2.098 1.00 0.33 N ATOM 97 CA THR A 7 1.329 -9.153 -1.864 1.00 0.32 C ATOM 98 C THR A 7 1.044 -9.083 -0.354 1.00 0.24 C ATOM 99 O THR A 7 0.332 -8.187 0.117 1.00 0.26 O ATOM 100 CB THR A 7 0.835 -10.496 -2.400 1.00 0.44 C ATOM 101 OG1 THR A 7 1.407 -10.709 -3.708 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.677 -10.546 -2.479 1.00 0.55 C ATOM 0 H THR A 7 3.048 -9.892 -2.730 1.00 0.33 H new ATOM 0 HA THR A 7 0.840 -8.305 -2.344 1.00 0.32 H new ATOM 0 HB THR A 7 1.149 -11.283 -1.715 1.00 0.44 H new ATOM 0 HG1 THR A 7 1.099 -11.569 -4.063 1.00 0.55 H new ATOM 0 HG21 THR A 7 -0.989 -11.517 -2.865 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.098 -10.398 -1.485 1.00 0.55 H new ATOM 0 HG23 THR A 7 -1.033 -9.760 -3.145 1.00 0.55 H new ATOM 110 N ASP A 8 1.636 -10.021 0.375 1.00 0.28 N ATOM 111 CA ASP A 8 1.491 -10.153 1.827 1.00 0.31 C ATOM 112 C ASP A 8 1.764 -8.862 2.573 1.00 0.24 C ATOM 113 O ASP A 8 0.965 -8.443 3.422 1.00 0.28 O ATOM 114 CB ASP A 8 2.444 -11.218 2.346 1.00 0.46 C ATOM 115 CG ASP A 8 2.458 -11.295 3.847 1.00 0.94 C ATOM 116 OD1 ASP A 8 1.533 -11.882 4.432 1.00 1.01 O ATOM 117 OD2 ASP A 8 3.410 -10.776 4.482 1.00 1.61 O ATOM 0 H ASP A 8 2.246 -10.730 -0.033 1.00 0.28 H new ATOM 0 HA ASP A 8 0.452 -10.430 2.008 1.00 0.31 H new ATOM 0 HB2 ASP A 8 2.157 -12.187 1.938 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.451 -11.006 1.987 1.00 0.46 H new ATOM 122 N ASP A 9 2.868 -8.230 2.236 1.00 0.24 N ATOM 123 CA ASP A 9 3.333 -7.034 2.931 1.00 0.28 C ATOM 124 C ASP A 9 2.372 -5.907 2.713 1.00 0.24 C ATOM 125 O ASP A 9 2.002 -5.191 3.652 1.00 0.30 O ATOM 126 CB ASP A 9 4.712 -6.617 2.420 1.00 0.38 C ATOM 127 CG ASP A 9 5.720 -7.733 2.471 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.257 -8.021 3.554 1.00 1.12 O ATOM 129 OD2 ASP A 9 5.987 -8.350 1.421 1.00 1.78 O ATOM 0 H ASP A 9 3.474 -8.527 1.471 1.00 0.24 H new ATOM 0 HA ASP A 9 3.398 -7.263 3.995 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.621 -6.264 1.393 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.076 -5.779 3.015 1.00 0.38 H new ATOM 134 N LEU A 10 1.949 -5.777 1.476 1.00 0.19 N ATOM 135 CA LEU A 10 1.008 -4.760 1.077 1.00 0.23 C ATOM 136 C LEU A 10 -0.327 -4.986 1.785 1.00 0.24 C ATOM 137 O LEU A 10 -0.907 -4.053 2.338 1.00 0.30 O ATOM 138 CB LEU A 10 0.841 -4.812 -0.438 1.00 0.27 C ATOM 139 CG LEU A 10 -0.032 -3.742 -1.078 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.528 -2.349 -0.808 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.124 -3.997 -2.562 1.00 0.47 C ATOM 0 H LEU A 10 2.253 -6.381 0.712 1.00 0.19 H new ATOM 0 HA LEU A 10 1.376 -3.773 1.359 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.831 -4.755 -0.889 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.428 -5.786 -0.699 1.00 0.27 H new ATOM 0 HG LEU A 10 -1.029 -3.789 -0.640 1.00 0.38 H new ATOM 0 HD11 LEU A 10 -0.113 -1.602 -1.276 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.565 -2.174 0.267 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.533 -2.274 -1.222 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.749 -3.233 -3.024 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.874 -3.964 -2.999 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.564 -4.979 -2.736 1.00 0.47 H new ATOM 153 N ARG A 11 -0.783 -6.240 1.776 1.00 0.24 N ATOM 154 CA ARG A 11 -2.001 -6.659 2.464 1.00 0.30 C ATOM 155 C ARG A 11 -1.979 -6.217 3.920 1.00 0.33 C ATOM 156 O ARG A 11 -2.869 -5.505 4.375 1.00 0.38 O ATOM 157 CB ARG A 11 -2.151 -8.188 2.405 1.00 0.36 C ATOM 158 CG ARG A 11 -3.328 -8.730 3.213 1.00 0.51 C ATOM 159 CD ARG A 11 -3.378 -10.249 3.217 1.00 0.73 C ATOM 160 NE ARG A 11 -2.168 -10.857 3.802 1.00 0.97 N ATOM 161 CZ ARG A 11 -2.165 -11.869 4.679 1.00 1.30 C ATOM 162 NH1 ARG A 11 -3.315 -12.348 5.165 1.00 1.81 N ATOM 163 NH2 ARG A 11 -1.007 -12.396 5.086 1.00 1.98 N ATOM 0 H ARG A 11 -0.311 -6.999 1.285 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.846 -6.190 1.961 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.268 -8.491 1.365 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.232 -8.647 2.769 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.258 -8.369 4.239 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.259 -8.340 2.801 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.253 -10.578 3.778 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.502 -10.607 2.195 1.00 0.73 H new ATOM 0 HE ARG A 11 -1.265 -10.478 3.517 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -4.202 -11.942 4.868 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -3.305 -13.119 5.833 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -0.125 -12.028 4.729 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -1.004 -13.167 5.754 1.00 1.98 H new ATOM 177 N ARG A 12 -0.939 -6.639 4.634 1.00 0.33 N ATOM 178 CA ARG A 12 -0.797 -6.344 6.053 1.00 0.39 C ATOM 179 C ARG A 12 -0.812 -4.838 6.331 1.00 0.39 C ATOM 180 O ARG A 12 -1.431 -4.388 7.297 1.00 0.48 O ATOM 181 CB ARG A 12 0.455 -7.006 6.645 1.00 0.49 C ATOM 182 CG ARG A 12 0.472 -8.526 6.518 1.00 0.77 C ATOM 183 CD ARG A 12 1.616 -9.132 7.308 1.00 0.90 C ATOM 184 NE ARG A 12 1.819 -10.556 7.003 1.00 1.28 N ATOM 185 CZ ARG A 12 1.505 -11.595 7.806 1.00 1.77 C ATOM 186 NH1 ARG A 12 0.633 -11.446 8.812 1.00 2.08 N ATOM 187 NH2 ARG A 12 2.000 -12.802 7.542 1.00 2.59 N ATOM 0 H ARG A 12 -0.175 -7.192 4.246 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.666 -6.773 6.552 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.337 -6.600 6.149 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.531 -6.739 7.699 1.00 0.49 H new ATOM 0 HG2 ARG A 12 -0.474 -8.933 6.874 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.564 -8.804 5.468 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.533 -8.583 7.092 1.00 0.90 H new ATOM 0 HD3 ARG A 12 1.419 -9.017 8.374 1.00 0.90 H new ATOM 0 HE ARG A 12 2.236 -10.780 6.100 1.00 1.28 H new ATOM 0 HH11 ARG A 12 0.197 -10.539 8.979 1.00 2.08 H new ATOM 0 HH12 ARG A 12 0.405 -12.240 9.411 1.00 2.08 H new ATOM 0 HH21 ARG A 12 2.612 -12.937 6.737 1.00 2.59 H new ATOM 0 HH22 ARG A 12 1.767 -13.592 8.144 1.00 2.59 H new ATOM 201 N ALA A 13 -0.158 -4.071 5.464 1.00 0.35 N ATOM 202 CA ALA A 13 -0.106 -2.616 5.596 1.00 0.41 C ATOM 203 C ALA A 13 -1.489 -2.003 5.424 1.00 0.42 C ATOM 204 O ALA A 13 -1.914 -1.187 6.237 1.00 0.50 O ATOM 205 CB ALA A 13 0.859 -2.027 4.585 1.00 0.48 C ATOM 0 H ALA A 13 0.347 -4.435 4.656 1.00 0.35 H new ATOM 0 HA ALA A 13 0.249 -2.380 6.599 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.886 -0.943 4.696 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.856 -2.434 4.754 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.529 -2.280 3.577 1.00 0.48 H new ATOM 211 N LEU A 14 -2.208 -2.457 4.402 1.00 0.41 N ATOM 212 CA LEU A 14 -3.547 -1.952 4.105 1.00 0.49 C ATOM 213 C LEU A 14 -4.505 -2.252 5.257 1.00 0.55 C ATOM 214 O LEU A 14 -5.337 -1.401 5.631 1.00 0.72 O ATOM 215 CB LEU A 14 -4.091 -2.582 2.814 1.00 0.51 C ATOM 216 CG LEU A 14 -3.424 -2.191 1.490 1.00 0.52 C ATOM 217 CD1 LEU A 14 -3.974 -3.042 0.378 1.00 0.93 C ATOM 218 CD2 LEU A 14 -3.690 -0.739 1.163 1.00 0.92 C ATOM 0 H LEU A 14 -1.883 -3.180 3.760 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.473 -0.873 3.973 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -4.023 -3.665 2.916 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.150 -2.334 2.741 1.00 0.51 H new ATOM 0 HG LEU A 14 -2.350 -2.345 1.591 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -3.499 -2.763 -0.563 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -3.772 -4.092 0.589 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -5.050 -2.888 0.301 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -3.207 -0.484 0.220 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.764 -0.576 1.076 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -3.291 -0.108 1.957 1.00 0.92 H new ATOM 230 N VAL A 15 -4.374 -3.441 5.831 1.00 0.51 N ATOM 231 CA VAL A 15 -5.204 -3.850 6.961 1.00 0.60 C ATOM 232 C VAL A 15 -4.937 -2.949 8.172 1.00 0.58 C ATOM 233 O VAL A 15 -5.875 -2.482 8.822 1.00 0.66 O ATOM 234 CB VAL A 15 -4.984 -5.348 7.339 1.00 0.69 C ATOM 235 CG1 VAL A 15 -5.841 -5.739 8.535 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.319 -6.248 6.162 1.00 0.76 C ATOM 0 H VAL A 15 -3.698 -4.144 5.532 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.245 -3.741 6.656 1.00 0.60 H new ATOM 0 HB VAL A 15 -3.934 -5.474 7.602 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.669 -6.788 8.778 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -5.575 -5.119 9.391 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -6.893 -5.590 8.293 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -5.160 -7.289 6.443 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.362 -6.104 5.879 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.676 -5.998 5.318 1.00 0.76 H new ATOM 246 N GLU A 16 -3.665 -2.669 8.438 1.00 0.55 N ATOM 247 CA GLU A 16 -3.280 -1.803 9.557 1.00 0.63 C ATOM 248 C GLU A 16 -3.805 -0.385 9.388 1.00 0.58 C ATOM 249 O GLU A 16 -4.132 0.291 10.379 1.00 0.67 O ATOM 250 CB GLU A 16 -1.767 -1.785 9.763 1.00 0.82 C ATOM 251 CG GLU A 16 -1.204 -3.099 10.253 1.00 1.16 C ATOM 252 CD GLU A 16 -1.839 -3.535 11.547 1.00 1.67 C ATOM 253 OE1 GLU A 16 -1.478 -2.996 12.613 1.00 1.83 O ATOM 254 OE2 GLU A 16 -2.699 -4.415 11.527 1.00 2.43 O ATOM 0 H GLU A 16 -2.879 -3.028 7.895 1.00 0.55 H new ATOM 0 HA GLU A 16 -3.742 -2.229 10.448 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -1.284 -1.522 8.822 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -1.516 -1.003 10.480 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -1.361 -3.866 9.495 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -0.127 -3.003 10.391 1.00 1.16 H new ATOM 261 N SER A 17 -3.898 0.057 8.157 1.00 0.52 N ATOM 262 CA SER A 17 -4.405 1.368 7.858 1.00 0.62 C ATOM 263 C SER A 17 -5.924 1.409 7.958 1.00 0.70 C ATOM 264 O SER A 17 -6.503 2.453 8.294 1.00 0.94 O ATOM 265 CB SER A 17 -3.940 1.779 6.495 1.00 0.67 C ATOM 266 OG SER A 17 -2.532 1.741 6.448 1.00 1.26 O ATOM 0 H SER A 17 -3.624 -0.484 7.337 1.00 0.52 H new ATOM 0 HA SER A 17 -4.019 2.074 8.593 1.00 0.62 H new ATOM 0 HB2 SER A 17 -4.358 1.113 5.740 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.295 2.784 6.265 1.00 0.67 H new ATOM 0 HG SER A 17 -2.166 2.207 7.229 1.00 1.26 H new ATOM 272 N ALA A 18 -6.567 0.278 7.696 1.00 0.61 N ATOM 273 CA ALA A 18 -8.000 0.178 7.867 1.00 0.79 C ATOM 274 C ALA A 18 -8.285 0.155 9.359 1.00 0.97 C ATOM 275 O ALA A 18 -9.207 0.811 9.835 1.00 1.23 O ATOM 276 CB ALA A 18 -8.541 -1.074 7.188 1.00 0.82 C ATOM 0 H ALA A 18 -6.116 -0.576 7.366 1.00 0.61 H new ATOM 0 HA ALA A 18 -8.497 1.030 7.403 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -9.620 -1.127 7.330 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.317 -1.035 6.122 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.073 -1.956 7.625 1.00 0.82 H new ATOM 282 N GLY A 19 -7.449 -0.590 10.083 1.00 1.02 N ATOM 283 CA GLY A 19 -7.502 -0.638 11.534 1.00 1.29 C ATOM 284 C GLY A 19 -8.809 -1.150 12.051 1.00 1.50 C ATOM 285 O GLY A 19 -9.305 -0.686 13.088 1.00 2.02 O ATOM 0 H GLY A 19 -6.719 -1.174 9.675 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -6.697 -1.275 11.901 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -7.325 0.361 11.932 1.00 1.29 H new ATOM 289 N GLU A 20 -9.377 -2.081 11.332 1.00 1.87 N ATOM 290 CA GLU A 20 -10.638 -2.654 11.667 1.00 2.49 C ATOM 291 C GLU A 20 -10.833 -3.887 10.811 1.00 2.35 C ATOM 292 O GLU A 20 -10.296 -3.965 9.698 1.00 2.86 O ATOM 293 CB GLU A 20 -11.767 -1.625 11.411 1.00 3.34 C ATOM 294 CG GLU A 20 -13.135 -2.070 11.880 1.00 3.88 C ATOM 295 CD GLU A 20 -13.094 -2.524 13.311 1.00 4.57 C ATOM 296 OE1 GLU A 20 -13.036 -1.674 14.218 1.00 4.79 O ATOM 297 OE2 GLU A 20 -13.093 -3.745 13.546 1.00 5.20 O ATOM 0 H GLU A 20 -8.962 -2.464 10.483 1.00 1.87 H new ATOM 0 HA GLU A 20 -10.668 -2.929 12.721 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -11.511 -0.691 11.911 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -11.814 -1.413 10.343 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -13.844 -1.248 11.776 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -13.493 -2.882 11.248 1.00 3.88 H new ATOM 304 N THR A 21 -11.548 -4.850 11.315 1.00 2.33 N ATOM 305 CA THR A 21 -11.847 -6.022 10.556 1.00 2.61 C ATOM 306 C THR A 21 -13.204 -5.810 9.881 1.00 2.41 C ATOM 307 O THR A 21 -14.248 -6.263 10.360 1.00 3.04 O ATOM 308 CB THR A 21 -11.870 -7.270 11.456 1.00 3.66 C ATOM 309 OG1 THR A 21 -10.677 -7.283 12.275 1.00 4.09 O ATOM 310 CG2 THR A 21 -11.889 -8.537 10.608 1.00 4.35 C ATOM 0 H THR A 21 -11.937 -4.843 12.258 1.00 2.33 H new ATOM 0 HA THR A 21 -11.076 -6.187 9.804 1.00 2.61 H new ATOM 0 HB THR A 21 -12.764 -7.239 12.078 1.00 3.66 H new ATOM 0 HG1 THR A 21 -10.685 -8.075 12.853 1.00 4.09 H new ATOM 0 HG21 THR A 21 -11.905 -9.411 11.260 1.00 4.35 H new ATOM 0 HG22 THR A 21 -12.777 -8.539 9.976 1.00 4.35 H new ATOM 0 HG23 THR A 21 -10.998 -8.568 9.981 1.00 4.35 H new ATOM 318 N ASP A 22 -13.188 -5.014 8.837 1.00 2.19 N ATOM 319 CA ASP A 22 -14.401 -4.651 8.123 1.00 2.51 C ATOM 320 C ASP A 22 -14.801 -5.751 7.155 1.00 2.23 C ATOM 321 O ASP A 22 -15.994 -5.981 6.932 1.00 2.75 O ATOM 322 CB ASP A 22 -14.225 -3.322 7.386 1.00 3.10 C ATOM 323 CG ASP A 22 -13.266 -3.403 6.220 1.00 3.82 C ATOM 324 OD1 ASP A 22 -12.137 -3.874 6.401 1.00 4.46 O ATOM 325 OD2 ASP A 22 -13.650 -3.027 5.101 1.00 4.16 O ATOM 0 H ASP A 22 -12.338 -4.598 8.456 1.00 2.19 H new ATOM 0 HA ASP A 22 -15.200 -4.528 8.854 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -15.196 -2.984 7.025 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -13.867 -2.570 8.089 1.00 3.10 H new ATOM 330 N GLY A 23 -13.820 -6.438 6.592 1.00 2.01 N ATOM 331 CA GLY A 23 -14.129 -7.550 5.732 1.00 2.24 C ATOM 332 C GLY A 23 -13.529 -7.466 4.354 1.00 1.82 C ATOM 333 O GLY A 23 -13.787 -8.332 3.521 1.00 2.14 O ATOM 0 H GLY A 23 -12.826 -6.245 6.716 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -13.783 -8.467 6.209 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -15.212 -7.629 5.638 1.00 2.24 H new ATOM 337 N THR A 24 -12.751 -6.446 4.091 1.00 1.57 N ATOM 338 CA THR A 24 -12.087 -6.349 2.810 1.00 1.43 C ATOM 339 C THR A 24 -10.887 -7.351 2.761 1.00 1.45 C ATOM 340 O THR A 24 -9.755 -7.049 3.167 1.00 1.91 O ATOM 341 CB THR A 24 -11.672 -4.861 2.488 1.00 1.62 C ATOM 342 OG1 THR A 24 -11.064 -4.754 1.195 1.00 2.20 O ATOM 343 CG2 THR A 24 -10.747 -4.275 3.544 1.00 1.81 C ATOM 0 H THR A 24 -12.562 -5.679 4.736 1.00 1.57 H new ATOM 0 HA THR A 24 -12.781 -6.635 2.020 1.00 1.43 H new ATOM 0 HB THR A 24 -12.595 -4.281 2.493 1.00 1.62 H new ATOM 0 HG1 THR A 24 -11.273 -3.879 0.807 1.00 2.20 H new ATOM 0 HG21 THR A 24 -10.491 -3.250 3.275 1.00 1.81 H new ATOM 0 HG22 THR A 24 -11.249 -4.282 4.512 1.00 1.81 H new ATOM 0 HG23 THR A 24 -9.837 -4.872 3.603 1.00 1.81 H new ATOM 351 N ASP A 25 -11.209 -8.598 2.410 1.00 1.48 N ATOM 352 CA ASP A 25 -10.226 -9.672 2.299 1.00 1.62 C ATOM 353 C ASP A 25 -9.239 -9.364 1.208 1.00 1.23 C ATOM 354 O ASP A 25 -9.613 -9.124 0.068 1.00 1.29 O ATOM 355 CB ASP A 25 -10.889 -11.031 2.029 1.00 2.15 C ATOM 356 CG ASP A 25 -9.870 -12.155 1.837 1.00 2.70 C ATOM 357 OD1 ASP A 25 -9.447 -12.789 2.838 1.00 3.20 O ATOM 358 OD2 ASP A 25 -9.471 -12.430 0.690 1.00 3.10 O ATOM 0 H ASP A 25 -12.162 -8.890 2.195 1.00 1.48 H new ATOM 0 HA ASP A 25 -9.707 -9.737 3.255 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -11.548 -11.281 2.860 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -11.514 -10.956 1.139 1.00 2.15 H new ATOM 363 N LEU A 26 -7.995 -9.357 1.564 1.00 1.06 N ATOM 364 CA LEU A 26 -6.938 -9.047 0.639 1.00 0.81 C ATOM 365 C LEU A 26 -6.041 -10.269 0.478 1.00 0.84 C ATOM 366 O LEU A 26 -4.837 -10.153 0.295 1.00 1.12 O ATOM 367 CB LEU A 26 -6.141 -7.865 1.199 1.00 0.93 C ATOM 368 CG LEU A 26 -6.938 -6.582 1.472 1.00 0.93 C ATOM 369 CD1 LEU A 26 -6.067 -5.559 2.166 1.00 1.12 C ATOM 370 CD2 LEU A 26 -7.504 -6.005 0.179 1.00 1.24 C ATOM 0 H LEU A 26 -7.675 -9.567 2.510 1.00 1.06 H new ATOM 0 HA LEU A 26 -7.342 -8.782 -0.338 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -5.668 -8.180 2.129 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -5.340 -7.629 0.499 1.00 0.93 H new ATOM 0 HG LEU A 26 -7.773 -6.835 2.126 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -6.646 -4.655 2.353 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -5.713 -5.965 3.113 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -5.213 -5.318 1.533 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -8.064 -5.097 0.401 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -6.687 -5.770 -0.503 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -8.166 -6.735 -0.286 1.00 1.24 H new ATOM 382 N SER A 27 -6.629 -11.434 0.520 1.00 0.86 N ATOM 383 CA SER A 27 -5.859 -12.648 0.434 1.00 0.94 C ATOM 384 C SER A 27 -5.766 -13.128 -1.016 1.00 1.11 C ATOM 385 O SER A 27 -6.660 -13.831 -1.523 1.00 1.82 O ATOM 386 CB SER A 27 -6.477 -13.715 1.310 1.00 1.29 C ATOM 387 OG SER A 27 -6.784 -13.193 2.606 1.00 1.78 O ATOM 0 H SER A 27 -7.636 -11.570 0.613 1.00 0.86 H new ATOM 0 HA SER A 27 -4.848 -12.446 0.788 1.00 0.94 H new ATOM 0 HB2 SER A 27 -7.385 -14.095 0.842 1.00 1.29 H new ATOM 0 HB3 SER A 27 -5.791 -14.556 1.405 1.00 1.29 H new ATOM 0 HG SER A 27 -7.755 -13.093 2.697 1.00 1.78 H new ATOM 393 N GLY A 28 -4.741 -12.692 -1.694 1.00 1.06 N ATOM 394 CA GLY A 28 -4.540 -13.064 -3.064 1.00 1.30 C ATOM 395 C GLY A 28 -4.126 -11.875 -3.866 1.00 1.12 C ATOM 396 O GLY A 28 -3.685 -10.881 -3.291 1.00 1.42 O ATOM 0 H GLY A 28 -4.026 -12.072 -1.314 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -3.777 -13.840 -3.130 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -5.459 -13.485 -3.472 1.00 1.30 H new ATOM 400 N ASP A 29 -4.279 -11.923 -5.175 1.00 1.15 N ATOM 401 CA ASP A 29 -3.877 -10.781 -5.985 1.00 1.06 C ATOM 402 C ASP A 29 -4.950 -9.706 -6.008 1.00 0.95 C ATOM 403 O ASP A 29 -5.733 -9.568 -6.956 1.00 1.46 O ATOM 404 CB ASP A 29 -3.402 -11.139 -7.401 1.00 1.33 C ATOM 405 CG ASP A 29 -2.871 -9.915 -8.146 1.00 1.79 C ATOM 406 OD1 ASP A 29 -1.781 -9.408 -7.785 1.00 2.27 O ATOM 407 OD2 ASP A 29 -3.540 -9.423 -9.080 1.00 2.15 O ATOM 0 H ASP A 29 -4.666 -12.713 -5.692 1.00 1.15 H new ATOM 0 HA ASP A 29 -2.996 -10.376 -5.486 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -2.620 -11.896 -7.342 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -4.228 -11.576 -7.962 1.00 1.33 H new ATOM 412 N PHE A 30 -5.020 -8.996 -4.911 1.00 0.50 N ATOM 413 CA PHE A 30 -5.925 -7.872 -4.745 1.00 0.39 C ATOM 414 C PHE A 30 -5.315 -6.657 -5.426 1.00 0.32 C ATOM 415 O PHE A 30 -5.960 -5.649 -5.628 1.00 0.31 O ATOM 416 CB PHE A 30 -6.149 -7.593 -3.238 1.00 0.39 C ATOM 417 CG PHE A 30 -4.890 -7.218 -2.487 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.091 -8.190 -1.929 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.506 -5.898 -2.356 1.00 0.41 C ATOM 420 CE1 PHE A 30 -2.939 -7.864 -1.254 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.355 -5.568 -1.686 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.570 -6.551 -1.133 1.00 0.53 C ATOM 0 H PHE A 30 -4.443 -9.180 -4.091 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.891 -8.098 -5.196 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.876 -6.788 -3.132 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.585 -8.479 -2.776 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.374 -9.228 -2.023 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.117 -5.118 -2.785 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.327 -8.641 -0.820 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.065 -4.532 -1.593 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.665 -6.289 -0.605 1.00 0.53 H new ATOM 432 N LEU A 31 -4.038 -6.794 -5.760 1.00 0.33 N ATOM 433 CA LEU A 31 -3.225 -5.777 -6.430 1.00 0.32 C ATOM 434 C LEU A 31 -3.847 -5.270 -7.736 1.00 0.28 C ATOM 435 O LEU A 31 -3.497 -4.201 -8.205 1.00 0.33 O ATOM 436 CB LEU A 31 -1.792 -6.284 -6.708 1.00 0.41 C ATOM 437 CG LEU A 31 -0.832 -6.484 -5.513 1.00 0.61 C ATOM 438 CD1 LEU A 31 -1.278 -7.601 -4.591 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.573 -6.750 -6.014 1.00 0.98 C ATOM 0 H LEU A 31 -3.516 -7.649 -5.566 1.00 0.33 H new ATOM 0 HA LEU A 31 -3.184 -4.939 -5.734 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.874 -7.238 -7.230 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.321 -5.583 -7.397 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.846 -5.563 -4.930 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.569 -7.699 -3.769 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -2.266 -7.371 -4.192 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -1.320 -8.537 -5.148 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.242 -6.890 -5.165 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.576 -7.650 -6.630 1.00 0.98 H new ATOM 0 HD23 LEU A 31 0.914 -5.902 -6.609 1.00 0.98 H new ATOM 451 N ASP A 32 -4.744 -6.058 -8.306 1.00 0.32 N ATOM 452 CA ASP A 32 -5.399 -5.754 -9.586 1.00 0.43 C ATOM 453 C ASP A 32 -6.726 -5.029 -9.360 1.00 0.36 C ATOM 454 O ASP A 32 -7.315 -4.455 -10.278 1.00 0.42 O ATOM 455 CB ASP A 32 -5.622 -7.076 -10.337 1.00 0.69 C ATOM 456 CG ASP A 32 -6.326 -6.951 -11.669 1.00 1.22 C ATOM 457 OD1 ASP A 32 -5.690 -6.547 -12.662 1.00 1.74 O ATOM 458 OD2 ASP A 32 -7.516 -7.334 -11.753 1.00 1.99 O ATOM 0 H ASP A 32 -5.048 -6.940 -7.894 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.766 -5.092 -10.177 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -4.654 -7.550 -10.499 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.202 -7.744 -9.700 1.00 0.69 H new ATOM 463 N LEU A 33 -7.184 -5.050 -8.140 1.00 0.32 N ATOM 464 CA LEU A 33 -8.417 -4.398 -7.776 1.00 0.33 C ATOM 465 C LEU A 33 -8.125 -2.948 -7.489 1.00 0.31 C ATOM 466 O LEU A 33 -7.141 -2.643 -6.864 1.00 0.45 O ATOM 467 CB LEU A 33 -9.025 -5.068 -6.550 1.00 0.40 C ATOM 468 CG LEU A 33 -9.321 -6.559 -6.693 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.890 -7.107 -5.410 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.278 -6.803 -7.839 1.00 0.58 C ATOM 0 H LEU A 33 -6.714 -5.520 -7.366 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.133 -4.475 -8.594 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -8.347 -4.929 -5.708 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.953 -4.554 -6.300 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.386 -7.076 -6.908 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -10.096 -8.171 -5.528 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -9.172 -6.964 -4.603 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.815 -6.583 -5.169 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.477 -7.871 -7.926 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.212 -6.274 -7.652 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.835 -6.440 -8.766 1.00 0.58 H new ATOM 482 N ARG A 34 -8.954 -2.063 -7.950 1.00 0.28 N ATOM 483 CA ARG A 34 -8.705 -0.648 -7.737 1.00 0.31 C ATOM 484 C ARG A 34 -9.072 -0.261 -6.306 1.00 0.29 C ATOM 485 O ARG A 34 -10.004 -0.831 -5.736 1.00 0.34 O ATOM 486 CB ARG A 34 -9.468 0.201 -8.753 1.00 0.48 C ATOM 487 CG ARG A 34 -9.108 -0.111 -10.200 1.00 0.73 C ATOM 488 CD ARG A 34 -9.824 0.813 -11.166 1.00 1.02 C ATOM 489 NE ARG A 34 -9.381 2.209 -11.032 1.00 1.90 N ATOM 490 CZ ARG A 34 -10.162 3.286 -11.200 1.00 2.41 C ATOM 491 NH1 ARG A 34 -11.451 3.148 -11.446 1.00 2.17 N ATOM 492 NH2 ARG A 34 -9.639 4.495 -11.139 1.00 3.51 N ATOM 0 H ARG A 34 -9.803 -2.279 -8.472 1.00 0.28 H new ATOM 0 HA ARG A 34 -7.642 -0.455 -7.883 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.538 0.047 -8.612 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -9.269 1.254 -8.557 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.031 -0.016 -10.336 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.368 -1.145 -10.425 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -9.649 0.475 -12.187 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -10.898 0.756 -10.991 1.00 1.02 H new ATOM 0 HE ARG A 34 -8.403 2.371 -10.792 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -11.861 2.216 -11.510 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -12.037 3.973 -11.572 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -8.641 4.611 -10.964 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -10.233 5.315 -11.267 1.00 3.51 H new ATOM 506 N PHE A 35 -8.324 0.677 -5.728 1.00 0.30 N ATOM 507 CA PHE A 35 -8.541 1.139 -4.345 1.00 0.34 C ATOM 508 C PHE A 35 -9.998 1.472 -4.037 1.00 0.38 C ATOM 509 O PHE A 35 -10.543 1.011 -3.032 1.00 0.41 O ATOM 510 CB PHE A 35 -7.634 2.317 -3.972 1.00 0.38 C ATOM 511 CG PHE A 35 -6.189 1.953 -3.766 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.797 1.259 -2.632 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.226 2.309 -4.689 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.473 0.932 -2.424 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.898 1.986 -4.488 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.522 1.295 -3.356 1.00 0.44 C ATOM 0 H PHE A 35 -7.549 1.143 -6.200 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.268 0.288 -3.722 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.697 3.070 -4.757 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -8.013 2.776 -3.059 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.538 0.970 -1.901 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.515 2.847 -5.580 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.182 0.393 -1.534 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.155 2.275 -5.217 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.485 1.038 -3.199 1.00 0.44 H new ATOM 526 N GLU A 36 -10.622 2.253 -4.899 1.00 0.44 N ATOM 527 CA GLU A 36 -12.033 2.636 -4.741 1.00 0.52 C ATOM 528 C GLU A 36 -12.961 1.408 -4.687 1.00 0.52 C ATOM 529 O GLU A 36 -14.001 1.425 -4.036 1.00 0.58 O ATOM 530 CB GLU A 36 -12.447 3.579 -5.864 1.00 0.64 C ATOM 531 CG GLU A 36 -12.325 2.985 -7.255 1.00 1.23 C ATOM 532 CD GLU A 36 -12.510 4.011 -8.321 1.00 1.60 C ATOM 533 OE1 GLU A 36 -11.561 4.771 -8.581 1.00 2.06 O ATOM 534 OE2 GLU A 36 -13.593 4.074 -8.925 1.00 1.97 O ATOM 0 H GLU A 36 -10.177 2.644 -5.729 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.134 3.153 -3.787 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.480 3.886 -5.702 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -11.835 4.479 -5.811 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.345 2.520 -7.366 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -13.067 2.197 -7.378 1.00 1.23 H new ATOM 541 N ASP A 37 -12.540 0.338 -5.326 1.00 0.49 N ATOM 542 CA ASP A 37 -13.335 -0.871 -5.432 1.00 0.55 C ATOM 543 C ASP A 37 -13.159 -1.739 -4.195 1.00 0.55 C ATOM 544 O ASP A 37 -14.045 -2.512 -3.838 1.00 0.66 O ATOM 545 CB ASP A 37 -12.956 -1.642 -6.700 1.00 0.62 C ATOM 546 CG ASP A 37 -13.750 -2.916 -6.900 1.00 0.74 C ATOM 547 OD1 ASP A 37 -14.917 -2.832 -7.347 1.00 0.92 O ATOM 548 OD2 ASP A 37 -13.207 -4.015 -6.669 1.00 0.86 O ATOM 0 H ASP A 37 -11.633 0.280 -5.789 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.387 -0.593 -5.499 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.101 -0.995 -7.565 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -11.895 -1.888 -6.661 1.00 0.62 H new ATOM 553 N ILE A 38 -12.033 -1.577 -3.513 1.00 0.47 N ATOM 554 CA ILE A 38 -11.774 -2.335 -2.290 1.00 0.51 C ATOM 555 C ILE A 38 -12.126 -1.529 -1.040 1.00 0.53 C ATOM 556 O ILE A 38 -11.803 -1.924 0.080 1.00 0.59 O ATOM 557 CB ILE A 38 -10.318 -2.890 -2.183 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.279 -1.758 -2.260 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.069 -3.930 -3.262 1.00 0.56 C ATOM 560 CD1 ILE A 38 -7.839 -2.208 -2.094 1.00 0.47 C ATOM 0 H ILE A 38 -11.288 -0.934 -3.781 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.432 -3.201 -2.353 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.209 -3.368 -1.209 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.380 -1.255 -3.222 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.506 -1.021 -1.490 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.050 -4.308 -3.175 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -10.773 -4.754 -3.143 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.205 -3.476 -4.243 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.178 -1.344 -2.162 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.716 -2.683 -1.121 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.588 -2.920 -2.880 1.00 0.47 H new ATOM 572 N GLY A 39 -12.837 -0.424 -1.251 1.00 0.54 N ATOM 573 CA GLY A 39 -13.324 0.395 -0.149 1.00 0.61 C ATOM 574 C GLY A 39 -12.333 1.444 0.335 1.00 0.55 C ATOM 575 O GLY A 39 -12.545 2.071 1.379 1.00 0.69 O ATOM 0 H GLY A 39 -13.088 -0.077 -2.177 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -14.241 0.895 -0.460 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.583 -0.256 0.686 1.00 0.61 H new ATOM 579 N TYR A 40 -11.274 1.667 -0.404 1.00 0.45 N ATOM 580 CA TYR A 40 -10.272 2.624 0.018 1.00 0.48 C ATOM 581 C TYR A 40 -10.533 4.006 -0.538 1.00 0.56 C ATOM 582 O TYR A 40 -10.599 4.202 -1.746 1.00 0.64 O ATOM 583 CB TYR A 40 -8.837 2.134 -0.263 1.00 0.43 C ATOM 584 CG TYR A 40 -8.355 1.081 0.726 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.084 -0.081 0.956 1.00 0.73 C ATOM 586 CD2 TYR A 40 -7.175 1.261 1.438 1.00 0.74 C ATOM 587 CE1 TYR A 40 -8.662 -1.026 1.861 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.737 0.311 2.347 1.00 0.99 C ATOM 589 CZ TYR A 40 -7.494 -0.832 2.553 1.00 1.11 C ATOM 590 OH TYR A 40 -7.082 -1.778 3.454 1.00 1.40 O ATOM 0 H TYR A 40 -11.081 1.206 -1.293 1.00 0.45 H new ATOM 0 HA TYR A 40 -10.357 2.707 1.101 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.792 1.723 -1.271 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -8.158 2.986 -0.236 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -10.002 -0.245 0.411 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.590 2.155 1.280 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -9.248 -1.918 2.026 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.815 0.460 2.890 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.600 -1.343 4.188 1.00 1.40 H new ATOM 600 N ASP A 41 -10.709 4.937 0.381 1.00 0.74 N ATOM 601 CA ASP A 41 -10.983 6.355 0.094 1.00 0.95 C ATOM 602 C ASP A 41 -9.726 7.042 -0.447 1.00 1.01 C ATOM 603 O ASP A 41 -9.616 7.280 -1.649 1.00 1.89 O ATOM 604 CB ASP A 41 -11.439 7.007 1.392 1.00 1.15 C ATOM 605 CG ASP A 41 -11.757 8.476 1.302 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.867 8.827 0.869 1.00 2.07 O ATOM 607 OD2 ASP A 41 -10.935 9.286 1.764 1.00 2.16 O ATOM 0 H ASP A 41 -10.666 4.734 1.380 1.00 0.74 H new ATOM 0 HA ASP A 41 -11.758 6.449 -0.667 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -12.325 6.482 1.750 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.660 6.867 2.142 1.00 1.15 H new ATOM 612 N SER A 42 -8.750 7.260 0.442 1.00 0.71 N ATOM 613 CA SER A 42 -7.453 7.842 0.092 1.00 0.66 C ATOM 614 C SER A 42 -6.623 8.033 1.339 1.00 0.49 C ATOM 615 O SER A 42 -5.440 7.742 1.339 1.00 0.45 O ATOM 616 CB SER A 42 -7.570 9.179 -0.655 1.00 0.86 C ATOM 617 OG SER A 42 -8.189 10.215 0.172 1.00 1.19 O ATOM 0 H SER A 42 -8.841 7.035 1.433 1.00 0.71 H new ATOM 0 HA SER A 42 -6.969 7.139 -0.586 1.00 0.66 H new ATOM 0 HB2 SER A 42 -6.579 9.508 -0.967 1.00 0.86 H new ATOM 0 HB3 SER A 42 -8.159 9.038 -1.561 1.00 0.86 H new ATOM 622 N LEU A 43 -7.252 8.465 2.414 1.00 0.49 N ATOM 623 CA LEU A 43 -6.541 8.640 3.684 1.00 0.49 C ATOM 624 C LEU A 43 -5.971 7.328 4.194 1.00 0.42 C ATOM 625 O LEU A 43 -4.824 7.278 4.616 1.00 0.41 O ATOM 626 CB LEU A 43 -7.426 9.271 4.757 1.00 0.65 C ATOM 627 CG LEU A 43 -7.922 10.674 4.465 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.628 11.247 5.677 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.772 11.557 4.052 1.00 1.03 C ATOM 0 H LEU A 43 -8.244 8.702 2.444 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.716 9.322 3.478 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.291 8.626 4.913 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.870 9.291 5.694 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.636 10.630 3.643 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -8.978 12.254 5.452 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.479 10.616 5.934 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -7.936 11.283 6.518 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.141 12.562 3.845 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -6.038 11.599 4.857 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -6.305 11.150 3.155 1.00 1.03 H new ATOM 641 N ALA A 44 -6.755 6.269 4.137 1.00 0.40 N ATOM 642 CA ALA A 44 -6.288 4.941 4.534 1.00 0.38 C ATOM 643 C ALA A 44 -5.158 4.494 3.620 1.00 0.32 C ATOM 644 O ALA A 44 -4.210 3.880 4.051 1.00 0.33 O ATOM 645 CB ALA A 44 -7.427 3.930 4.499 1.00 0.43 C ATOM 0 H ALA A 44 -7.724 6.296 3.819 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.918 4.998 5.558 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.054 2.951 4.798 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.213 4.244 5.186 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.830 3.871 3.488 1.00 0.43 H new ATOM 651 N LEU A 45 -5.270 4.871 2.366 1.00 0.30 N ATOM 652 CA LEU A 45 -4.293 4.541 1.337 1.00 0.28 C ATOM 653 C LEU A 45 -2.955 5.252 1.684 1.00 0.28 C ATOM 654 O LEU A 45 -1.880 4.649 1.643 1.00 0.29 O ATOM 655 CB LEU A 45 -4.885 5.009 -0.028 1.00 0.30 C ATOM 656 CG LEU A 45 -4.238 4.562 -1.363 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.987 5.189 -2.525 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.760 4.899 -1.462 1.00 0.37 C ATOM 0 H LEU A 45 -6.054 5.425 2.021 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.087 3.472 1.278 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.927 4.689 -0.053 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.886 6.099 -0.021 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.311 3.475 -1.399 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.531 4.874 -3.464 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -6.029 4.869 -2.502 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.940 6.275 -2.445 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.372 4.557 -2.422 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.626 5.978 -1.380 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.219 4.404 -0.655 1.00 0.37 H new ATOM 670 N MET A 46 -3.056 6.526 2.047 1.00 0.30 N ATOM 671 CA MET A 46 -1.903 7.347 2.456 1.00 0.34 C ATOM 672 C MET A 46 -1.239 6.754 3.681 1.00 0.34 C ATOM 673 O MET A 46 -0.022 6.702 3.778 1.00 0.40 O ATOM 674 CB MET A 46 -2.358 8.765 2.796 1.00 0.39 C ATOM 675 CG MET A 46 -2.935 9.532 1.636 1.00 0.45 C ATOM 676 SD MET A 46 -1.718 9.980 0.399 1.00 0.68 S ATOM 677 CE MET A 46 -2.772 10.828 -0.778 1.00 1.44 C ATOM 0 H MET A 46 -3.943 7.029 2.069 1.00 0.30 H new ATOM 0 HA MET A 46 -1.196 7.370 1.626 1.00 0.34 H new ATOM 0 HB2 MET A 46 -3.105 8.713 3.588 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.509 9.319 3.195 1.00 0.39 H new ATOM 0 HG2 MET A 46 -3.715 8.933 1.166 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.411 10.438 2.011 1.00 0.45 H new ATOM 0 HE1 MET A 46 -2.698 10.340 -1.750 1.00 1.44 H new ATOM 0 HE2 MET A 46 -3.805 10.793 -0.432 1.00 1.44 H new ATOM 0 HE3 MET A 46 -2.454 11.867 -0.869 1.00 1.44 H new ATOM 687 N GLU A 47 -2.065 6.285 4.591 1.00 0.32 N ATOM 688 CA GLU A 47 -1.623 5.698 5.839 1.00 0.37 C ATOM 689 C GLU A 47 -0.863 4.398 5.532 1.00 0.32 C ATOM 690 O GLU A 47 0.131 4.096 6.158 1.00 0.33 O ATOM 691 CB GLU A 47 -2.859 5.449 6.711 1.00 0.45 C ATOM 692 CG GLU A 47 -2.644 5.457 8.237 1.00 0.85 C ATOM 693 CD GLU A 47 -1.698 4.401 8.766 1.00 1.22 C ATOM 694 OE1 GLU A 47 -2.088 3.215 8.826 1.00 1.89 O ATOM 695 OE2 GLU A 47 -0.577 4.751 9.177 1.00 1.82 O ATOM 0 H GLU A 47 -3.079 6.301 4.483 1.00 0.32 H new ATOM 0 HA GLU A 47 -0.946 6.360 6.380 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.604 6.207 6.469 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.283 4.484 6.432 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -2.266 6.437 8.528 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -3.611 5.330 8.724 1.00 0.85 H new ATOM 702 N THR A 48 -1.329 3.664 4.532 1.00 0.31 N ATOM 703 CA THR A 48 -0.661 2.461 4.070 1.00 0.30 C ATOM 704 C THR A 48 0.733 2.798 3.547 1.00 0.29 C ATOM 705 O THR A 48 1.726 2.121 3.890 1.00 0.32 O ATOM 706 CB THR A 48 -1.503 1.807 2.974 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.753 1.401 3.538 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.792 0.612 2.357 1.00 0.33 C ATOM 0 H THR A 48 -2.182 3.888 4.019 1.00 0.31 H new ATOM 0 HA THR A 48 -0.551 1.764 4.901 1.00 0.30 H new ATOM 0 HB THR A 48 -1.666 2.532 2.177 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.295 2.193 3.737 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.422 0.174 1.583 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.151 0.937 1.917 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.595 -0.132 3.129 1.00 0.33 H new ATOM 716 N ALA A 49 0.807 3.834 2.721 1.00 0.29 N ATOM 717 CA ALA A 49 2.073 4.315 2.216 1.00 0.30 C ATOM 718 C ALA A 49 2.972 4.685 3.389 1.00 0.27 C ATOM 719 O ALA A 49 4.090 4.192 3.490 1.00 0.27 O ATOM 720 CB ALA A 49 1.866 5.506 1.289 1.00 0.36 C ATOM 0 H ALA A 49 -0.004 4.356 2.389 1.00 0.29 H new ATOM 0 HA ALA A 49 2.553 3.528 1.635 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.832 5.852 0.920 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.242 5.207 0.447 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.376 6.312 1.836 1.00 0.36 H new ATOM 726 N ALA A 50 2.427 5.478 4.310 1.00 0.29 N ATOM 727 CA ALA A 50 3.134 5.929 5.508 1.00 0.31 C ATOM 728 C ALA A 50 3.605 4.758 6.361 1.00 0.30 C ATOM 729 O ALA A 50 4.692 4.793 6.912 1.00 0.32 O ATOM 730 CB ALA A 50 2.254 6.850 6.333 1.00 0.39 C ATOM 0 H ALA A 50 1.472 5.829 4.245 1.00 0.29 H new ATOM 0 HA ALA A 50 4.015 6.478 5.176 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.798 7.175 7.220 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.979 7.720 5.737 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.352 6.317 6.635 1.00 0.39 H new ATOM 736 N ARG A 51 2.796 3.717 6.429 1.00 0.32 N ATOM 737 CA ARG A 51 3.095 2.521 7.199 1.00 0.37 C ATOM 738 C ARG A 51 4.377 1.888 6.674 1.00 0.32 C ATOM 739 O ARG A 51 5.311 1.581 7.436 1.00 0.36 O ATOM 740 CB ARG A 51 1.942 1.516 7.043 1.00 0.51 C ATOM 741 CG ARG A 51 2.022 0.320 7.961 1.00 1.04 C ATOM 742 CD ARG A 51 1.836 0.761 9.384 1.00 1.15 C ATOM 743 NE ARG A 51 1.899 -0.337 10.333 1.00 1.91 N ATOM 744 CZ ARG A 51 1.449 -0.262 11.585 1.00 2.60 C ATOM 745 NH1 ARG A 51 0.961 0.890 12.047 1.00 2.86 N ATOM 746 NH2 ARG A 51 1.507 -1.322 12.371 1.00 3.47 N ATOM 0 H ARG A 51 1.899 3.677 5.944 1.00 0.32 H new ATOM 0 HA ARG A 51 3.218 2.786 8.249 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.000 2.033 7.223 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.921 1.165 6.011 1.00 0.51 H new ATOM 0 HG2 ARG A 51 1.257 -0.408 7.693 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.987 -0.175 7.847 1.00 1.04 H new ATOM 0 HD2 ARG A 51 2.603 1.494 9.634 1.00 1.15 H new ATOM 0 HD3 ARG A 51 0.873 1.262 9.480 1.00 1.15 H new ATOM 0 HE ARG A 51 2.312 -1.217 10.023 1.00 1.91 H new ATOM 0 HH11 ARG A 51 0.933 1.711 11.442 1.00 2.86 H new ATOM 0 HH12 ARG A 51 0.616 0.950 13.005 1.00 2.86 H new ATOM 0 HH21 ARG A 51 1.896 -2.197 12.019 1.00 3.47 H new ATOM 0 HH22 ARG A 51 1.163 -1.266 13.330 1.00 3.47 H new ATOM 760 N LEU A 52 4.421 1.702 5.376 1.00 0.27 N ATOM 761 CA LEU A 52 5.572 1.129 4.732 1.00 0.25 C ATOM 762 C LEU A 52 6.768 2.085 4.782 1.00 0.21 C ATOM 763 O LEU A 52 7.916 1.643 4.953 1.00 0.23 O ATOM 764 CB LEU A 52 5.231 0.665 3.316 1.00 0.29 C ATOM 765 CG LEU A 52 4.094 -0.374 3.239 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.824 -0.789 1.811 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.416 -1.593 4.093 1.00 0.44 C ATOM 0 H LEU A 52 3.661 1.944 4.741 1.00 0.27 H new ATOM 0 HA LEU A 52 5.873 0.239 5.284 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.953 1.534 2.720 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.126 0.240 2.861 1.00 0.29 H new ATOM 0 HG LEU A 52 3.192 0.096 3.630 1.00 0.36 H new ATOM 0 HD11 LEU A 52 3.017 -1.522 1.791 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.535 0.085 1.227 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.725 -1.229 1.384 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.600 -2.312 4.023 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.337 -2.054 3.737 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.542 -1.287 5.132 1.00 0.44 H new ATOM 779 N GLU A 53 6.490 3.398 4.657 1.00 0.19 N ATOM 780 CA GLU A 53 7.520 4.434 4.791 1.00 0.19 C ATOM 781 C GLU A 53 8.185 4.323 6.149 1.00 0.23 C ATOM 782 O GLU A 53 9.412 4.277 6.241 1.00 0.26 O ATOM 783 CB GLU A 53 6.950 5.856 4.631 1.00 0.22 C ATOM 784 CG GLU A 53 6.380 6.201 3.260 1.00 0.25 C ATOM 785 CD GLU A 53 5.892 7.640 3.184 1.00 0.33 C ATOM 786 OE1 GLU A 53 4.775 7.942 3.636 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.621 8.504 2.658 1.00 0.38 O ATOM 0 H GLU A 53 5.557 3.761 4.463 1.00 0.19 H new ATOM 0 HA GLU A 53 8.243 4.270 3.992 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.165 5.996 5.374 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.740 6.570 4.863 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.144 6.038 2.500 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.554 5.527 3.032 1.00 0.25 H new ATOM 794 N SER A 54 7.361 4.240 7.187 1.00 0.31 N ATOM 795 CA SER A 54 7.823 4.130 8.549 1.00 0.40 C ATOM 796 C SER A 54 8.642 2.857 8.767 1.00 0.36 C ATOM 797 O SER A 54 9.817 2.930 9.144 1.00 0.39 O ATOM 798 CB SER A 54 6.631 4.142 9.520 1.00 0.53 C ATOM 799 OG SER A 54 5.856 5.334 9.402 1.00 1.17 O ATOM 0 H SER A 54 6.345 4.248 7.097 1.00 0.31 H new ATOM 0 HA SER A 54 8.466 4.989 8.744 1.00 0.40 H new ATOM 0 HB2 SER A 54 5.997 3.277 9.326 1.00 0.53 H new ATOM 0 HB3 SER A 54 6.996 4.047 10.543 1.00 0.53 H new ATOM 0 HG SER A 54 5.362 5.321 8.556 1.00 1.17 H new ATOM 805 N ARG A 55 8.039 1.706 8.489 1.00 0.35 N ATOM 806 CA ARG A 55 8.668 0.429 8.786 1.00 0.37 C ATOM 807 C ARG A 55 9.955 0.186 7.988 1.00 0.31 C ATOM 808 O ARG A 55 10.937 -0.308 8.537 1.00 0.36 O ATOM 809 CB ARG A 55 7.711 -0.757 8.568 1.00 0.48 C ATOM 810 CG ARG A 55 8.315 -2.087 9.031 1.00 0.61 C ATOM 811 CD ARG A 55 7.552 -3.302 8.534 1.00 0.85 C ATOM 812 NE ARG A 55 6.177 -3.392 9.020 1.00 1.35 N ATOM 813 CZ ARG A 55 5.395 -4.463 8.857 1.00 2.03 C ATOM 814 NH1 ARG A 55 5.800 -5.475 8.072 1.00 2.37 N ATOM 815 NH2 ARG A 55 4.192 -4.504 9.445 1.00 2.81 N ATOM 0 H ARG A 55 7.117 1.634 8.059 1.00 0.35 H new ATOM 0 HA ARG A 55 8.930 0.491 9.842 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.782 -0.575 9.109 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.456 -0.825 7.510 1.00 0.48 H new ATOM 0 HG2 ARG A 55 9.347 -2.149 8.685 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.342 -2.105 10.121 1.00 0.61 H new ATOM 0 HD2 ARG A 55 7.539 -3.287 7.444 1.00 0.85 H new ATOM 0 HD3 ARG A 55 8.090 -4.201 8.834 1.00 0.85 H new ATOM 0 HE ARG A 55 5.790 -2.588 9.514 1.00 1.35 H new ATOM 0 HH11 ARG A 55 6.704 -5.425 7.601 1.00 2.37 H new ATOM 0 HH12 ARG A 55 5.204 -6.293 7.947 1.00 2.37 H new ATOM 0 HH21 ARG A 55 3.876 -3.719 10.015 1.00 2.81 H new ATOM 0 HH22 ARG A 55 3.592 -5.320 9.323 1.00 2.81 H new ATOM 829 N TYR A 56 9.953 0.504 6.710 1.00 0.28 N ATOM 830 CA TYR A 56 11.092 0.147 5.867 1.00 0.31 C ATOM 831 C TYR A 56 12.055 1.291 5.621 1.00 0.33 C ATOM 832 O TYR A 56 13.218 1.061 5.284 1.00 0.43 O ATOM 833 CB TYR A 56 10.616 -0.480 4.553 1.00 0.34 C ATOM 834 CG TYR A 56 9.790 -1.726 4.777 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.396 -2.941 5.066 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.407 -1.678 4.737 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.643 -4.073 5.299 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.649 -2.800 4.976 1.00 0.57 C ATOM 839 CZ TYR A 56 8.269 -3.998 5.256 1.00 0.66 C ATOM 840 OH TYR A 56 7.506 -5.127 5.506 1.00 0.80 O ATOM 0 H TYR A 56 9.198 0.997 6.234 1.00 0.28 H new ATOM 0 HA TYR A 56 11.664 -0.595 6.424 1.00 0.31 H new ATOM 0 HB2 TYR A 56 10.026 0.249 3.998 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.481 -0.726 3.936 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.473 -3.001 5.109 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.915 -0.743 4.514 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.129 -5.013 5.514 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.571 -2.742 4.944 1.00 0.57 H new ATOM 0 HH TYR A 56 6.555 -4.901 5.437 1.00 0.80 H new ATOM 850 N GLY A 57 11.599 2.507 5.798 1.00 0.31 N ATOM 851 CA GLY A 57 12.467 3.635 5.576 1.00 0.38 C ATOM 852 C GLY A 57 12.448 4.062 4.138 1.00 0.38 C ATOM 853 O GLY A 57 13.485 4.068 3.464 1.00 0.53 O ATOM 0 H GLY A 57 10.649 2.738 6.090 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.156 4.466 6.209 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.485 3.376 5.867 1.00 0.38 H new ATOM 857 N VAL A 58 11.272 4.401 3.661 1.00 0.37 N ATOM 858 CA VAL A 58 11.064 4.841 2.288 1.00 0.37 C ATOM 859 C VAL A 58 10.251 6.101 2.341 1.00 0.34 C ATOM 860 O VAL A 58 9.873 6.529 3.439 1.00 0.33 O ATOM 861 CB VAL A 58 10.310 3.788 1.385 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.975 2.449 1.438 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.836 3.642 1.756 1.00 0.33 C ATOM 0 H VAL A 58 10.418 4.381 4.218 1.00 0.37 H new ATOM 0 HA VAL A 58 12.044 4.986 1.834 1.00 0.37 H new ATOM 0 HB VAL A 58 10.362 4.175 0.367 1.00 0.38 H new ATOM 0 HG11 VAL A 58 10.431 1.747 0.806 1.00 0.45 H new ATOM 0 HG12 VAL A 58 12.001 2.538 1.082 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.978 2.085 2.465 1.00 0.45 H new ATOM 0 HG21 VAL A 58 8.368 2.906 1.103 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.752 3.314 2.792 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.334 4.602 1.638 1.00 0.33 H new ATOM 873 N SER A 59 10.000 6.715 1.224 1.00 0.37 N ATOM 874 CA SER A 59 9.083 7.792 1.217 1.00 0.41 C ATOM 875 C SER A 59 8.316 7.817 -0.087 1.00 0.38 C ATOM 876 O SER A 59 8.891 7.719 -1.173 1.00 0.47 O ATOM 877 CB SER A 59 9.741 9.134 1.520 1.00 0.56 C ATOM 878 OG SER A 59 8.746 10.081 1.899 1.00 1.54 O ATOM 0 H SER A 59 10.416 6.486 0.321 1.00 0.37 H new ATOM 0 HA SER A 59 8.376 7.625 2.030 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.472 9.019 2.321 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.282 9.491 0.644 1.00 0.56 H new ATOM 0 HG SER A 59 7.912 9.612 2.111 1.00 1.54 H new ATOM 884 N ILE A 60 7.028 7.905 0.034 1.00 0.31 N ATOM 885 CA ILE A 60 6.141 7.897 -1.089 1.00 0.31 C ATOM 886 C ILE A 60 5.534 9.278 -1.235 1.00 0.34 C ATOM 887 O ILE A 60 4.982 9.811 -0.267 1.00 0.40 O ATOM 888 CB ILE A 60 5.012 6.834 -0.904 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.621 5.434 -0.693 1.00 0.47 C ATOM 890 CG2 ILE A 60 4.049 6.827 -2.094 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.501 4.957 -1.841 1.00 0.59 C ATOM 0 H ILE A 60 6.554 7.986 0.933 1.00 0.31 H new ATOM 0 HA ILE A 60 6.701 7.634 -1.986 1.00 0.31 H new ATOM 0 HB ILE A 60 4.440 7.106 -0.017 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.211 5.441 0.224 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.813 4.717 -0.547 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.276 6.076 -1.932 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.586 7.809 -2.193 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.599 6.592 -3.005 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.890 3.964 -1.613 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.912 4.915 -2.757 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.332 5.650 -1.975 1.00 0.59 H new ATOM 903 N PRO A 61 5.672 9.901 -2.417 1.00 0.37 N ATOM 904 CA PRO A 61 5.088 11.212 -2.688 1.00 0.45 C ATOM 905 C PRO A 61 3.574 11.182 -2.504 1.00 0.41 C ATOM 906 O PRO A 61 2.892 10.294 -3.041 1.00 0.35 O ATOM 907 CB PRO A 61 5.447 11.478 -4.155 1.00 0.54 C ATOM 908 CG PRO A 61 6.625 10.609 -4.418 1.00 0.56 C ATOM 909 CD PRO A 61 6.424 9.386 -3.579 1.00 0.43 C ATOM 0 HA PRO A 61 5.460 11.983 -2.014 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.617 11.231 -4.817 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.685 12.529 -4.320 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.693 10.351 -5.475 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.553 11.117 -4.153 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.865 8.617 -4.113 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.373 8.941 -3.281 1.00 0.43 H new ATOM 917 N ASP A 62 3.071 12.158 -1.766 1.00 0.51 N ATOM 918 CA ASP A 62 1.646 12.275 -1.387 1.00 0.55 C ATOM 919 C ASP A 62 0.717 12.158 -2.571 1.00 0.45 C ATOM 920 O ASP A 62 -0.231 11.384 -2.547 1.00 0.46 O ATOM 921 CB ASP A 62 1.374 13.613 -0.676 1.00 0.77 C ATOM 922 CG ASP A 62 1.972 13.709 0.705 1.00 1.28 C ATOM 923 OD1 ASP A 62 3.216 13.802 0.837 1.00 1.64 O ATOM 924 OD2 ASP A 62 1.209 13.729 1.700 1.00 1.99 O ATOM 0 H ASP A 62 3.645 12.917 -1.398 1.00 0.51 H new ATOM 0 HA ASP A 62 1.446 11.443 -0.711 1.00 0.55 H new ATOM 0 HB2 ASP A 62 1.768 14.424 -1.288 1.00 0.77 H new ATOM 0 HB3 ASP A 62 0.297 13.762 -0.605 1.00 0.77 H new ATOM 929 N ASP A 63 1.032 12.856 -3.631 1.00 0.44 N ATOM 930 CA ASP A 63 0.163 12.880 -4.790 1.00 0.45 C ATOM 931 C ASP A 63 0.192 11.578 -5.518 1.00 0.40 C ATOM 932 O ASP A 63 -0.813 11.156 -6.009 1.00 0.48 O ATOM 933 CB ASP A 63 0.507 14.008 -5.771 1.00 0.58 C ATOM 934 CG ASP A 63 0.224 15.383 -5.238 1.00 1.37 C ATOM 935 OD1 ASP A 63 -0.937 15.823 -5.281 1.00 1.66 O ATOM 936 OD2 ASP A 63 1.169 16.065 -4.802 1.00 2.18 O ATOM 0 H ASP A 63 1.880 13.415 -3.721 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.839 13.063 -4.401 1.00 0.45 H new ATOM 0 HB2 ASP A 63 1.563 13.940 -6.032 1.00 0.58 H new ATOM 0 HB3 ASP A 63 -0.059 13.862 -6.691 1.00 0.58 H new ATOM 941 N VAL A 64 1.342 10.919 -5.541 1.00 0.34 N ATOM 942 CA VAL A 64 1.480 9.660 -6.273 1.00 0.37 C ATOM 943 C VAL A 64 0.837 8.526 -5.489 1.00 0.36 C ATOM 944 O VAL A 64 0.271 7.594 -6.075 1.00 0.43 O ATOM 945 CB VAL A 64 2.955 9.330 -6.625 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.030 8.122 -7.548 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.633 10.530 -7.269 1.00 0.50 C ATOM 0 H VAL A 64 2.190 11.229 -5.066 1.00 0.34 H new ATOM 0 HA VAL A 64 0.958 9.777 -7.223 1.00 0.37 H new ATOM 0 HB VAL A 64 3.480 9.091 -5.700 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.073 7.908 -7.783 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.584 7.259 -7.054 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.487 8.334 -8.469 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.666 10.279 -7.508 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.104 10.800 -8.183 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.615 11.372 -6.578 1.00 0.50 H new ATOM 957 N ALA A 65 0.908 8.616 -4.164 1.00 0.35 N ATOM 958 CA ALA A 65 0.220 7.676 -3.301 1.00 0.39 C ATOM 959 C ALA A 65 -1.264 7.732 -3.620 1.00 0.41 C ATOM 960 O ALA A 65 -1.891 6.724 -3.904 1.00 0.45 O ATOM 961 CB ALA A 65 0.471 8.006 -1.836 1.00 0.44 C ATOM 0 H ALA A 65 1.437 9.334 -3.669 1.00 0.35 H new ATOM 0 HA ALA A 65 0.597 6.668 -3.476 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.055 7.288 -1.206 1.00 0.44 H new ATOM 0 HB2 ALA A 65 1.540 7.955 -1.630 1.00 0.44 H new ATOM 0 HB3 ALA A 65 0.107 9.011 -1.622 1.00 0.44 H new ATOM 967 N GLY A 66 -1.790 8.935 -3.667 1.00 0.47 N ATOM 968 CA GLY A 66 -3.171 9.123 -4.004 1.00 0.55 C ATOM 969 C GLY A 66 -3.354 9.352 -5.503 1.00 0.58 C ATOM 970 O GLY A 66 -4.124 10.225 -5.918 1.00 0.81 O ATOM 0 H GLY A 66 -1.276 9.795 -3.475 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -3.744 8.249 -3.696 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.568 9.975 -3.453 1.00 0.55 H new ATOM 974 N ARG A 67 -2.640 8.594 -6.309 1.00 0.54 N ATOM 975 CA ARG A 67 -2.698 8.746 -7.766 1.00 0.61 C ATOM 976 C ARG A 67 -2.816 7.387 -8.407 1.00 0.52 C ATOM 977 O ARG A 67 -3.420 7.229 -9.472 1.00 0.59 O ATOM 978 CB ARG A 67 -1.419 9.409 -8.280 1.00 0.75 C ATOM 979 CG ARG A 67 -1.498 9.964 -9.683 1.00 1.32 C ATOM 980 CD ARG A 67 -2.502 11.093 -9.754 1.00 1.55 C ATOM 981 NE ARG A 67 -2.170 12.185 -8.832 1.00 1.97 N ATOM 982 CZ ARG A 67 -3.062 12.898 -8.127 1.00 2.53 C ATOM 983 NH1 ARG A 67 -4.361 12.683 -8.286 1.00 2.73 N ATOM 984 NH2 ARG A 67 -2.650 13.845 -7.301 1.00 3.33 N ATOM 0 H ARG A 67 -2.008 7.861 -5.988 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.560 9.364 -8.017 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.151 10.219 -7.601 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.610 8.679 -8.241 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -0.517 10.323 -9.994 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -1.782 9.173 -10.377 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -2.542 11.479 -10.773 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -3.495 10.710 -9.519 1.00 1.55 H new ATOM 0 HE ARG A 67 -1.184 12.421 -8.718 1.00 1.97 H new ATOM 0 HH11 ARG A 67 -4.684 11.975 -8.945 1.00 2.73 H new ATOM 0 HH12 ARG A 67 -5.037 13.226 -7.749 1.00 2.73 H new ATOM 0 HH21 ARG A 67 -1.653 14.034 -7.199 1.00 3.33 H new ATOM 0 HH22 ARG A 67 -3.329 14.386 -6.766 1.00 3.33 H new ATOM 998 N VAL A 68 -2.233 6.420 -7.758 1.00 0.43 N ATOM 999 CA VAL A 68 -2.236 5.064 -8.226 1.00 0.39 C ATOM 1000 C VAL A 68 -3.605 4.436 -7.989 1.00 0.35 C ATOM 1001 O VAL A 68 -4.271 4.721 -6.980 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.107 4.246 -7.542 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.251 4.758 -8.005 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.189 4.365 -6.030 1.00 0.36 C ATOM 0 H VAL A 68 -1.736 6.553 -6.877 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.040 5.056 -9.298 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.230 3.200 -7.821 1.00 0.39 H new ATOM 0 HG11 VAL A 68 1.041 4.182 -7.523 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.331 4.650 -9.087 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.354 5.810 -7.737 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.387 3.783 -5.575 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.087 5.411 -5.741 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.152 3.986 -5.687 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.046 3.638 -8.937 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.390 3.066 -8.888 1.00 0.41 C ATOM 1016 C ASP A 69 -5.365 1.719 -8.241 1.00 0.28 C ATOM 1017 O ASP A 69 -6.236 1.379 -7.452 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.990 2.904 -10.290 1.00 0.62 C ATOM 1019 CG ASP A 69 -6.058 4.174 -11.086 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -7.055 4.896 -10.993 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -5.123 4.435 -11.864 1.00 2.11 O ATOM 0 H ASP A 69 -3.500 3.366 -9.754 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.002 3.758 -8.310 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.398 2.174 -10.843 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.996 2.494 -10.196 1.00 0.62 H new ATOM 1026 N THR A 70 -4.395 0.936 -8.608 1.00 0.30 N ATOM 1027 CA THR A 70 -4.270 -0.392 -8.096 1.00 0.27 C ATOM 1028 C THR A 70 -3.159 -0.464 -7.047 1.00 0.24 C ATOM 1029 O THR A 70 -2.155 0.269 -7.138 1.00 0.25 O ATOM 1030 CB THR A 70 -4.005 -1.409 -9.237 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.813 -1.058 -9.964 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.187 -1.470 -10.195 1.00 0.36 C ATOM 0 H THR A 70 -3.668 1.202 -9.272 1.00 0.30 H new ATOM 0 HA THR A 70 -5.214 -0.657 -7.620 1.00 0.27 H new ATOM 0 HB THR A 70 -3.869 -2.390 -8.782 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.940 -0.190 -10.401 1.00 0.44 H new ATOM 0 HG21 THR A 70 -4.977 -2.190 -10.986 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.080 -1.778 -9.652 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.351 -0.486 -10.634 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.319 -1.323 -6.017 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.318 -1.519 -4.978 1.00 0.22 C ATOM 1042 C PRO A 71 -0.972 -1.948 -5.552 1.00 0.22 C ATOM 1043 O PRO A 71 0.063 -1.649 -4.979 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.913 -2.630 -4.107 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.368 -2.538 -4.339 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.513 -2.133 -5.768 1.00 0.23 C ATOM 0 HA PRO A 71 -2.114 -0.600 -4.428 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.526 -3.608 -4.392 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.668 -2.484 -3.055 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.858 -3.493 -4.149 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.827 -1.806 -3.674 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.555 -2.999 -6.428 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.427 -1.562 -5.933 1.00 0.23 H new ATOM 1054 N ARG A 72 -1.001 -2.660 -6.686 1.00 0.24 N ATOM 1055 CA ARG A 72 0.221 -3.077 -7.377 1.00 0.28 C ATOM 1056 C ARG A 72 1.127 -1.879 -7.675 1.00 0.27 C ATOM 1057 O ARG A 72 2.333 -1.931 -7.443 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.094 -3.878 -8.649 1.00 0.40 C ATOM 1059 CG ARG A 72 1.145 -4.338 -9.412 1.00 0.70 C ATOM 1060 CD ARG A 72 0.812 -5.360 -10.489 1.00 0.74 C ATOM 1061 NE ARG A 72 0.304 -6.621 -9.914 1.00 1.18 N ATOM 1062 CZ ARG A 72 1.013 -7.756 -9.796 1.00 1.71 C ATOM 1063 NH1 ARG A 72 2.225 -7.852 -10.356 1.00 1.88 N ATOM 1064 NH2 ARG A 72 0.481 -8.810 -9.175 1.00 2.72 N ATOM 0 H ARG A 72 -1.862 -2.959 -7.144 1.00 0.24 H new ATOM 0 HA ARG A 72 0.766 -3.741 -6.706 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.688 -4.751 -8.379 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.709 -3.266 -9.309 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.628 -3.475 -9.870 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.860 -4.770 -8.712 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.066 -4.944 -11.166 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.703 -5.565 -11.083 1.00 0.74 H new ATOM 0 HE ARG A 72 -0.660 -6.631 -9.580 1.00 1.18 H new ATOM 0 HH11 ARG A 72 2.612 -7.063 -10.873 1.00 1.88 H new ATOM 0 HH12 ARG A 72 2.762 -8.715 -10.265 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -0.462 -8.753 -8.791 1.00 2.72 H new ATOM 0 HH22 ARG A 72 1.017 -9.673 -9.084 1.00 2.72 H new ATOM 1078 N GLU A 73 0.518 -0.793 -8.136 1.00 0.24 N ATOM 1079 CA GLU A 73 1.236 0.432 -8.456 1.00 0.26 C ATOM 1080 C GLU A 73 1.878 1.016 -7.196 1.00 0.25 C ATOM 1081 O GLU A 73 3.038 1.420 -7.207 1.00 0.32 O ATOM 1082 CB GLU A 73 0.271 1.440 -9.052 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.362 1.020 -10.358 1.00 0.50 C ATOM 1084 CD GLU A 73 -1.488 1.935 -10.756 1.00 1.41 C ATOM 1085 OE1 GLU A 73 -1.238 3.041 -11.229 1.00 1.82 O ATOM 1086 OE2 GLU A 73 -2.667 1.558 -10.571 1.00 2.21 O ATOM 0 H GLU A 73 -0.488 -0.738 -8.298 1.00 0.24 H new ATOM 0 HA GLU A 73 2.022 0.206 -9.177 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.520 1.636 -8.328 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.800 2.380 -9.207 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.395 1.013 -11.142 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.737 0.001 -10.268 1.00 0.50 H new ATOM 1093 N LEU A 74 1.129 0.990 -6.102 1.00 0.23 N ATOM 1094 CA LEU A 74 1.589 1.529 -4.825 1.00 0.26 C ATOM 1095 C LEU A 74 2.723 0.644 -4.293 1.00 0.25 C ATOM 1096 O LEU A 74 3.744 1.143 -3.812 1.00 0.28 O ATOM 1097 CB LEU A 74 0.375 1.604 -3.839 1.00 0.28 C ATOM 1098 CG LEU A 74 0.539 2.325 -2.457 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.436 1.567 -1.484 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.035 3.752 -2.643 1.00 1.11 C ATOM 0 H LEU A 74 0.188 0.597 -6.072 1.00 0.23 H new ATOM 0 HA LEU A 74 1.983 2.539 -4.940 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.443 2.094 -4.367 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.056 0.581 -3.637 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.454 2.349 -2.008 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.507 2.121 -0.548 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.013 0.581 -1.291 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.430 1.457 -1.916 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.140 4.230 -1.669 1.00 1.11 H new ATOM 0 HD22 LEU A 74 2.001 3.739 -3.147 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.319 4.310 -3.246 1.00 1.11 H new ATOM 1112 N LEU A 75 2.543 -0.663 -4.408 1.00 0.24 N ATOM 1113 CA LEU A 75 3.546 -1.629 -4.001 1.00 0.28 C ATOM 1114 C LEU A 75 4.849 -1.408 -4.762 1.00 0.28 C ATOM 1115 O LEU A 75 5.938 -1.448 -4.175 1.00 0.30 O ATOM 1116 CB LEU A 75 3.052 -3.060 -4.218 1.00 0.32 C ATOM 1117 CG LEU A 75 3.986 -4.164 -3.723 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.180 -4.065 -2.220 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.447 -5.528 -4.106 1.00 0.48 C ATOM 0 H LEU A 75 1.694 -1.082 -4.787 1.00 0.24 H new ATOM 0 HA LEU A 75 3.731 -1.485 -2.937 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.089 -3.172 -3.719 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.878 -3.207 -5.284 1.00 0.32 H new ATOM 0 HG LEU A 75 4.957 -4.034 -4.201 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.848 -4.859 -1.886 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.615 -3.097 -1.972 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.216 -4.168 -1.721 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.125 -6.302 -3.745 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.464 -5.670 -3.658 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.364 -5.595 -5.191 1.00 0.48 H new ATOM 1131 N ASP A 76 4.733 -1.149 -6.059 1.00 0.28 N ATOM 1132 CA ASP A 76 5.903 -0.928 -6.898 1.00 0.33 C ATOM 1133 C ASP A 76 6.600 0.373 -6.534 1.00 0.30 C ATOM 1134 O ASP A 76 7.801 0.492 -6.686 1.00 0.32 O ATOM 1135 CB ASP A 76 5.567 -0.957 -8.388 1.00 0.43 C ATOM 1136 CG ASP A 76 6.816 -0.898 -9.243 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.488 -1.944 -9.397 1.00 0.72 O ATOM 1138 OD2 ASP A 76 7.161 0.188 -9.764 1.00 0.68 O ATOM 0 H ASP A 76 3.842 -1.087 -6.551 1.00 0.28 H new ATOM 0 HA ASP A 76 6.585 -1.756 -6.705 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.010 -1.865 -8.618 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.919 -0.115 -8.632 1.00 0.43 H new ATOM 1143 N LEU A 77 5.843 1.343 -6.032 1.00 0.29 N ATOM 1144 CA LEU A 77 6.430 2.594 -5.541 1.00 0.30 C ATOM 1145 C LEU A 77 7.362 2.270 -4.379 1.00 0.28 C ATOM 1146 O LEU A 77 8.499 2.737 -4.323 1.00 0.35 O ATOM 1147 CB LEU A 77 5.342 3.574 -5.063 1.00 0.35 C ATOM 1148 CG LEU A 77 4.314 4.032 -6.097 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.269 4.918 -5.439 1.00 0.49 C ATOM 1150 CD2 LEU A 77 4.992 4.771 -7.237 1.00 0.45 C ATOM 0 H LEU A 77 4.827 1.292 -5.953 1.00 0.29 H new ATOM 0 HA LEU A 77 6.977 3.068 -6.356 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.806 3.107 -4.237 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.836 4.459 -4.663 1.00 0.35 H new ATOM 0 HG LEU A 77 3.820 3.151 -6.507 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.542 5.238 -6.185 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.761 4.359 -4.653 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.754 5.793 -5.006 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.242 5.088 -7.962 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.511 5.646 -6.846 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.710 4.110 -7.723 1.00 0.45 H new ATOM 1162 N ILE A 78 6.867 1.426 -3.478 1.00 0.27 N ATOM 1163 CA ILE A 78 7.629 0.959 -2.327 1.00 0.29 C ATOM 1164 C ILE A 78 8.844 0.164 -2.823 1.00 0.30 C ATOM 1165 O ILE A 78 9.974 0.421 -2.411 1.00 0.31 O ATOM 1166 CB ILE A 78 6.768 0.024 -1.436 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.441 0.693 -1.032 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.552 -0.388 -0.190 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.589 1.923 -0.165 1.00 0.38 C ATOM 0 H ILE A 78 5.922 1.046 -3.527 1.00 0.27 H new ATOM 0 HA ILE A 78 7.939 1.826 -1.743 1.00 0.29 H new ATOM 0 HB ILE A 78 6.529 -0.865 -2.019 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.898 0.967 -1.937 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.829 -0.037 -0.502 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.937 -1.044 0.427 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.458 -0.915 -0.488 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.820 0.501 0.381 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.603 2.324 0.068 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.101 1.657 0.760 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.170 2.676 -0.697 1.00 0.38 H new ATOM 1181 N ASN A 79 8.583 -0.813 -3.700 1.00 0.34 N ATOM 1182 CA ASN A 79 9.642 -1.660 -4.276 1.00 0.41 C ATOM 1183 C ASN A 79 10.712 -0.828 -4.948 1.00 0.38 C ATOM 1184 O ASN A 79 11.881 -1.021 -4.695 1.00 0.42 O ATOM 1185 CB ASN A 79 9.104 -2.697 -5.286 1.00 0.53 C ATOM 1186 CG ASN A 79 8.452 -3.941 -4.680 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.546 -5.019 -5.251 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.765 -3.814 -3.573 1.00 0.63 N ATOM 0 H ASN A 79 7.644 -1.039 -4.029 1.00 0.34 H new ATOM 0 HA ASN A 79 10.071 -2.201 -3.432 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.375 -2.205 -5.930 1.00 0.53 H new ATOM 0 HB3 ASN A 79 9.928 -3.016 -5.924 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.294 -4.624 -3.169 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.700 -2.905 -3.114 1.00 0.63 H new ATOM 1195 N GLY A 80 10.293 0.115 -5.773 1.00 0.38 N ATOM 1196 CA GLY A 80 11.209 0.992 -6.471 1.00 0.42 C ATOM 1197 C GLY A 80 12.067 1.796 -5.523 1.00 0.38 C ATOM 1198 O GLY A 80 13.263 1.978 -5.759 1.00 0.46 O ATOM 0 H GLY A 80 9.309 0.292 -5.976 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.850 0.399 -7.124 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.643 1.670 -7.110 1.00 0.42 H new ATOM 1202 N ALA A 81 11.474 2.231 -4.430 1.00 0.31 N ATOM 1203 CA ALA A 81 12.183 2.991 -3.423 1.00 0.32 C ATOM 1204 C ALA A 81 13.201 2.098 -2.712 1.00 0.33 C ATOM 1205 O ALA A 81 14.360 2.480 -2.537 1.00 0.45 O ATOM 1206 CB ALA A 81 11.203 3.584 -2.425 1.00 0.33 C ATOM 0 H ALA A 81 10.490 2.068 -4.216 1.00 0.31 H new ATOM 0 HA ALA A 81 12.717 3.808 -3.907 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.749 4.153 -1.673 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.508 4.243 -2.945 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.647 2.781 -1.940 1.00 0.33 H new ATOM 1212 N LEU A 82 12.775 0.900 -2.351 1.00 0.29 N ATOM 1213 CA LEU A 82 13.637 -0.075 -1.685 1.00 0.36 C ATOM 1214 C LEU A 82 14.695 -0.643 -2.627 1.00 0.46 C ATOM 1215 O LEU A 82 15.739 -1.095 -2.189 1.00 0.61 O ATOM 1216 CB LEU A 82 12.807 -1.191 -1.042 1.00 0.42 C ATOM 1217 CG LEU A 82 12.036 -0.785 0.218 1.00 0.55 C ATOM 1218 CD1 LEU A 82 11.090 -1.885 0.650 1.00 0.74 C ATOM 1219 CD2 LEU A 82 13.016 -0.472 1.344 1.00 0.67 C ATOM 0 H LEU A 82 11.823 0.571 -2.509 1.00 0.29 H new ATOM 0 HA LEU A 82 14.169 0.451 -0.892 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.096 -1.565 -1.779 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.471 -2.018 -0.792 1.00 0.42 H new ATOM 0 HG LEU A 82 11.447 0.104 -0.009 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.554 -1.573 1.546 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.376 -2.085 -0.149 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.658 -2.790 0.864 1.00 0.74 H new ATOM 0 HD21 LEU A 82 12.463 -0.184 2.238 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.618 -1.355 1.559 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.669 0.347 1.041 1.00 0.67 H new ATOM 1231 N ALA A 83 14.429 -0.590 -3.920 1.00 0.54 N ATOM 1232 CA ALA A 83 15.373 -1.043 -4.937 1.00 0.69 C ATOM 1233 C ALA A 83 16.649 -0.210 -4.909 1.00 0.73 C ATOM 1234 O ALA A 83 17.703 -0.653 -5.351 1.00 0.84 O ATOM 1235 CB ALA A 83 14.741 -1.009 -6.322 1.00 0.88 C ATOM 0 H ALA A 83 13.552 -0.232 -4.299 1.00 0.54 H new ATOM 0 HA ALA A 83 15.637 -2.076 -4.709 1.00 0.69 H new ATOM 0 HB1 ALA A 83 15.465 -1.351 -7.061 1.00 0.88 H new ATOM 0 HB2 ALA A 83 13.868 -1.662 -6.340 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.436 0.011 -6.558 1.00 0.88 H new ATOM 1241 N GLU A 84 16.562 0.986 -4.343 1.00 0.82 N ATOM 1242 CA GLU A 84 17.725 1.841 -4.214 1.00 1.07 C ATOM 1243 C GLU A 84 18.547 1.473 -2.978 1.00 1.53 C ATOM 1244 O GLU A 84 19.605 2.059 -2.706 1.00 1.82 O ATOM 1245 CB GLU A 84 17.332 3.315 -4.209 1.00 1.50 C ATOM 1246 CG GLU A 84 16.648 3.749 -5.492 1.00 2.18 C ATOM 1247 CD GLU A 84 17.434 3.335 -6.718 1.00 2.92 C ATOM 1248 OE1 GLU A 84 18.550 3.862 -6.939 1.00 3.21 O ATOM 1249 OE2 GLU A 84 16.972 2.463 -7.457 1.00 3.64 O ATOM 0 H GLU A 84 15.700 1.382 -3.968 1.00 0.82 H new ATOM 0 HA GLU A 84 18.357 1.677 -5.087 1.00 1.07 H new ATOM 0 HB2 GLU A 84 16.667 3.505 -3.367 1.00 1.50 H new ATOM 0 HB3 GLU A 84 18.224 3.923 -4.055 1.00 1.50 H new ATOM 0 HG2 GLU A 84 15.650 3.314 -5.537 1.00 2.18 H new ATOM 0 HG3 GLU A 84 16.524 4.832 -5.489 1.00 2.18 H new ATOM 1256 N ALA A 85 18.054 0.503 -2.235 1.00 2.09 N ATOM 1257 CA ALA A 85 18.757 -0.044 -1.100 1.00 2.99 C ATOM 1258 C ALA A 85 19.280 -1.431 -1.468 1.00 3.79 C ATOM 1259 O ALA A 85 19.876 -2.138 -0.657 1.00 4.38 O ATOM 1260 CB ALA A 85 17.842 -0.110 0.116 1.00 3.58 C ATOM 0 H ALA A 85 17.146 0.071 -2.406 1.00 2.09 H new ATOM 0 HA ALA A 85 19.597 0.601 -0.842 1.00 2.99 H new ATOM 0 HB1 ALA A 85 18.390 -0.525 0.962 1.00 3.58 H new ATOM 0 HB2 ALA A 85 17.495 0.893 0.365 1.00 3.58 H new ATOM 0 HB3 ALA A 85 16.985 -0.745 -0.108 1.00 3.58 H new ATOM 1266 N ALA A 86 19.056 -1.813 -2.707 1.00 4.29 N ATOM 1267 CA ALA A 86 19.501 -3.078 -3.195 1.00 5.37 C ATOM 1268 C ALA A 86 20.927 -2.936 -3.670 1.00 6.06 C ATOM 1269 O ALA A 86 21.839 -3.121 -2.851 1.00 6.58 O ATOM 1270 CB ALA A 86 18.594 -3.585 -4.302 1.00 6.00 C ATOM 1271 OXT ALA A 86 21.152 -2.593 -4.854 1.00 6.33 O ATOM 0 H ALA A 86 18.559 -1.248 -3.396 1.00 4.29 H new ATOM 0 HA ALA A 86 19.461 -3.816 -2.394 1.00 5.37 H new ATOM 0 HB1 ALA A 86 18.956 -4.550 -4.656 1.00 6.00 H new ATOM 0 HB2 ALA A 86 17.580 -3.696 -3.919 1.00 6.00 H new ATOM 0 HB3 ALA A 86 18.594 -2.873 -5.127 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -8.043 11.678 -0.306 1.00 1.37 P HETATM 1279 O26 SXA A 87 -7.558 11.685 -1.797 1.00 2.26 O HETATM 1280 O23 SXA A 87 -9.378 12.418 -0.005 1.00 1.84 O HETATM 1281 O27 SXA A 87 -6.935 12.292 0.581 1.00 1.75 O HETATM 1282 C28 SXA A 87 -6.477 13.637 0.202 1.00 2.13 C HETATM 1283 C29 SXA A 87 -5.448 14.241 1.183 1.00 3.11 C HETATM 1284 C30 SXA A 87 -6.184 14.513 2.463 1.00 3.58 C HETATM 1285 C31 SXA A 87 -4.291 13.267 1.430 1.00 3.66 C HETATM 1286 C32 SXA A 87 -4.890 15.600 0.563 1.00 3.95 C HETATM 1287 O33 SXA A 87 -4.314 15.352 -0.714 1.00 4.27 O HETATM 1288 C34 SXA A 87 -3.781 16.264 1.401 1.00 4.82 C HETATM 1289 O35 SXA A 87 -2.659 16.404 0.887 1.00 5.39 O HETATM 1290 N36 SXA A 87 -4.056 16.664 2.632 1.00 5.21 N HETATM 1291 C37 SXA A 87 -3.080 17.323 3.516 1.00 6.20 C HETATM 1292 C38 SXA A 87 -2.968 16.666 4.888 1.00 6.79 C HETATM 1293 C39 SXA A 87 -4.104 16.955 5.886 1.00 6.69 C HETATM 1294 O40 SXA A 87 -4.155 16.354 6.964 1.00 7.13 O HETATM 1295 N41 SXA A 87 -5.003 17.875 5.545 1.00 6.49 N HETATM 1296 C42 SXA A 87 -6.127 18.234 6.409 1.00 6.81 C HETATM 1297 C43 SXA A 87 -6.445 19.717 6.391 1.00 6.95 C HETATM 1298 S1 SXA A 87 -7.825 20.020 7.399 1.00 7.34 S HETATM 1299 C1 SXA A 87 -9.061 19.246 6.433 1.00 7.74 C HETATM 1300 O1 SXA A 87 -8.934 18.945 5.223 1.00 7.80 O HETATM 1301 C2 SXA A 87 -10.343 18.946 7.185 1.00 8.41 C HETATM 0 HO33 SXA A 87 -3.356 15.555 -0.686 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -4.904 18.348 4.647 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -4.998 16.507 2.989 1.00 5.21 H new HETATM 0 H43A SXA A 87 -5.588 20.289 6.747 1.00 6.95 H new HETATM 0 H42A SXA A 87 -7.010 17.676 6.097 1.00 6.81 H new HETATM 0 H38A SXA A 87 -2.907 15.587 4.745 1.00 6.79 H new HETATM 0 H37A SXA A 87 -2.102 17.314 3.036 1.00 6.20 H new HETATM 0 H31B SXA A 87 -4.679 12.342 1.855 1.00 3.66 H new HETATM 0 H31A SXA A 87 -3.790 13.050 0.487 1.00 3.66 H new HETATM 0 H30B SXA A 87 -6.997 15.213 2.273 1.00 3.58 H new HETATM 0 H30A SXA A 87 -6.592 13.581 2.853 1.00 3.58 H new HETATM 0 H28A SXA A 87 -6.035 13.594 -0.793 1.00 2.13 H new HETATM 0 H43 SXA A 87 -6.646 20.045 5.371 1.00 6.95 H new HETATM 0 H42 SXA A 87 -5.903 17.930 7.431 1.00 6.81 H new HETATM 0 H38 SXA A 87 -2.028 16.982 5.341 1.00 6.79 H new HETATM 0 H37 SXA A 87 -3.363 18.368 3.643 1.00 6.20 H new HETATM 0 H32 SXA A 87 -5.754 16.264 0.524 1.00 3.95 H new HETATM 0 H31 SXA A 87 -3.580 13.715 2.124 1.00 3.66 H new HETATM 0 H30 SXA A 87 -5.498 14.943 3.193 1.00 3.58 H new HETATM 0 H2B SXA A 87 -10.127 18.280 8.020 1.00 8.41 H new HETATM 0 H2A SXA A 87 -10.769 19.875 7.563 1.00 8.41 H new HETATM 0 H28 SXA A 87 -7.339 14.301 0.139 1.00 2.13 H new HETATM 0 H2 SXA A 87 -11.055 18.467 6.513 1.00 8.41 H new