USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 107:sc= 1.26 USER MOD Set 1.2: A 56 TYR OH : rot 50:sc= 0.127 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.194 (180deg=-0.933) USER MOD Single : A 1 MET N :NH3+ -164:sc= 1.26 (180deg=1.02) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 17 SER OG : rot 90:sc= -2.39! USER MOD Single : A 21 THR OG1 : rot -38:sc= 0.35 USER MOD Single : A 24 THR OG1 : rot 60:sc= 0.211 USER MOD Single : A 27 SER OG : rot 101:sc= 1.27 USER MOD Single : A 40 TYR OH : rot -130:sc= -1.88! USER MOD Single : A 46 MET CE :methyl -151:sc= -0.317 (180deg=-1.16) USER MOD Single : A 48 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 54 SER OG : rot 76:sc= 0.74 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.0586 USER MOD Single : A 79 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.7!) USER MOD Single : A 87 SXO O33 : rot 25:sc= 0.631 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.640 12.451 -0.160 1.00 3.98 N ATOM 2 CA MET A 1 -17.614 12.399 1.319 1.00 3.18 C ATOM 3 C MET A 1 -16.737 11.246 1.793 1.00 2.64 C ATOM 4 O MET A 1 -16.013 11.370 2.783 1.00 2.90 O ATOM 5 CB MET A 1 -19.035 12.255 1.868 1.00 3.46 C ATOM 6 CG MET A 1 -19.101 12.148 3.384 1.00 3.84 C ATOM 7 SD MET A 1 -20.793 12.102 4.003 1.00 4.73 S ATOM 8 CE MET A 1 -21.407 13.683 3.412 1.00 5.02 C ATOM 0 H1 MET A 1 -18.003 13.375 -0.469 1.00 3.98 H new ATOM 0 H2 MET A 1 -16.677 12.317 -0.529 1.00 3.98 H new ATOM 0 H3 MET A 1 -18.258 11.697 -0.523 1.00 3.98 H new ATOM 0 HA MET A 1 -17.190 13.330 1.695 1.00 3.18 H new ATOM 0 HB2 MET A 1 -19.627 13.113 1.548 1.00 3.46 H new ATOM 0 HB3 MET A 1 -19.495 11.369 1.430 1.00 3.46 H new ATOM 0 HG2 MET A 1 -18.576 11.248 3.704 1.00 3.84 H new ATOM 0 HG3 MET A 1 -18.579 12.996 3.827 1.00 3.84 H new ATOM 0 HE1 MET A 1 -22.231 14.013 4.045 1.00 5.02 H new ATOM 0 HE2 MET A 1 -20.605 14.421 3.447 1.00 5.02 H new ATOM 0 HE3 MET A 1 -21.758 13.576 2.386 1.00 5.02 H new ATOM 20 N ALA A 2 -16.800 10.127 1.079 1.00 2.32 N ATOM 21 CA ALA A 2 -15.957 8.982 1.378 1.00 1.93 C ATOM 22 C ALA A 2 -14.515 9.277 0.998 1.00 1.46 C ATOM 23 O ALA A 2 -14.210 9.558 -0.166 1.00 1.43 O ATOM 24 CB ALA A 2 -16.455 7.740 0.651 1.00 2.06 C ATOM 0 H ALA A 2 -17.429 9.992 0.288 1.00 2.32 H new ATOM 0 HA ALA A 2 -16.005 8.791 2.450 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -15.809 6.895 0.890 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -17.474 7.518 0.967 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -16.439 7.917 -0.424 1.00 2.06 H new ATOM 30 N THR A 3 -13.639 9.228 1.983 1.00 1.35 N ATOM 31 CA THR A 3 -12.232 9.496 1.773 1.00 1.09 C ATOM 32 C THR A 3 -11.550 8.332 1.064 1.00 0.90 C ATOM 33 O THR A 3 -11.330 7.273 1.656 1.00 1.14 O ATOM 34 CB THR A 3 -11.542 9.768 3.122 1.00 1.49 C ATOM 35 OG1 THR A 3 -12.163 8.977 4.150 1.00 2.10 O ATOM 36 CG2 THR A 3 -11.626 11.247 3.482 1.00 2.10 C ATOM 0 H THR A 3 -13.883 9.002 2.947 1.00 1.35 H new ATOM 0 HA THR A 3 -12.145 10.378 1.138 1.00 1.09 H new ATOM 0 HB THR A 3 -10.490 9.494 3.038 1.00 1.49 H new ATOM 0 HG1 THR A 3 -11.721 9.150 5.008 1.00 2.10 H new ATOM 0 HG21 THR A 3 -11.132 11.417 4.439 1.00 2.10 H new ATOM 0 HG22 THR A 3 -11.134 11.838 2.710 1.00 2.10 H new ATOM 0 HG23 THR A 3 -12.672 11.545 3.555 1.00 2.10 H new ATOM 44 N LEU A 4 -11.250 8.523 -0.213 1.00 0.64 N ATOM 45 CA LEU A 4 -10.545 7.517 -0.991 1.00 0.51 C ATOM 46 C LEU A 4 -9.068 7.535 -0.621 1.00 0.45 C ATOM 47 O LEU A 4 -8.583 8.510 -0.046 1.00 0.52 O ATOM 48 CB LEU A 4 -10.711 7.788 -2.492 1.00 0.57 C ATOM 49 CG LEU A 4 -12.158 7.889 -2.990 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.188 8.218 -4.473 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.911 6.598 -2.721 1.00 0.84 C ATOM 0 H LEU A 4 -11.485 9.369 -0.733 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.965 6.536 -0.768 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -10.196 8.718 -2.734 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -10.210 6.993 -3.044 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.650 8.694 -2.444 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.222 8.286 -4.810 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.687 9.171 -4.645 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.676 7.434 -5.030 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.935 6.692 -3.082 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.418 5.775 -3.238 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.921 6.399 -1.649 1.00 0.84 H new ATOM 63 N LEU A 5 -8.347 6.478 -0.965 1.00 0.39 N ATOM 64 CA LEU A 5 -6.940 6.378 -0.606 1.00 0.35 C ATOM 65 C LEU A 5 -6.116 7.208 -1.578 1.00 0.35 C ATOM 66 O LEU A 5 -6.190 7.017 -2.796 1.00 0.41 O ATOM 67 CB LEU A 5 -6.501 4.904 -0.617 1.00 0.38 C ATOM 68 CG LEU A 5 -5.198 4.573 0.123 1.00 0.58 C ATOM 69 CD1 LEU A 5 -5.119 3.082 0.390 1.00 1.00 C ATOM 70 CD2 LEU A 5 -3.984 5.014 -0.674 1.00 0.98 C ATOM 0 H LEU A 5 -8.710 5.682 -1.489 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.783 6.766 0.401 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.302 4.306 -0.182 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.394 4.587 -1.655 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.201 5.115 1.069 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.191 2.855 0.915 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.967 2.777 1.003 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.142 2.541 -0.556 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.077 4.765 -0.123 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.975 4.503 -1.637 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -4.027 6.091 -0.836 1.00 0.98 H new ATOM 82 N THR A 6 -5.355 8.143 -1.038 1.00 0.39 N ATOM 83 CA THR A 6 -4.561 9.037 -1.849 1.00 0.49 C ATOM 84 C THR A 6 -3.126 8.546 -1.977 1.00 0.42 C ATOM 85 O THR A 6 -2.582 7.924 -1.060 1.00 0.41 O ATOM 86 CB THR A 6 -4.563 10.444 -1.232 1.00 0.69 C ATOM 87 OG1 THR A 6 -5.169 10.402 0.071 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.316 11.419 -2.117 1.00 1.03 C ATOM 0 H THR A 6 -5.273 8.300 -0.034 1.00 0.39 H new ATOM 0 HA THR A 6 -5.005 9.066 -2.844 1.00 0.49 H new ATOM 0 HB THR A 6 -3.531 10.784 -1.143 1.00 0.69 H new ATOM 0 HG1 THR A 6 -4.477 10.503 0.757 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.304 12.409 -1.660 1.00 1.03 H new ATOM 0 HG22 THR A 6 -4.838 11.465 -3.096 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.347 11.085 -2.232 1.00 1.03 H new ATOM 96 N THR A 7 -2.519 8.841 -3.119 1.00 0.47 N ATOM 97 CA THR A 7 -1.130 8.493 -3.378 1.00 0.45 C ATOM 98 C THR A 7 -0.211 9.117 -2.331 1.00 0.34 C ATOM 99 O THR A 7 0.768 8.507 -1.903 1.00 0.33 O ATOM 100 CB THR A 7 -0.716 8.953 -4.790 1.00 0.59 C ATOM 101 OG1 THR A 7 -1.209 10.278 -5.032 1.00 1.30 O ATOM 102 CG2 THR A 7 -1.267 8.011 -5.850 1.00 1.06 C ATOM 0 H THR A 7 -2.976 9.328 -3.890 1.00 0.47 H new ATOM 0 HA THR A 7 -1.034 7.409 -3.318 1.00 0.45 H new ATOM 0 HB THR A 7 0.373 8.946 -4.846 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.942 10.567 -5.930 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.962 8.356 -6.838 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.879 7.006 -5.681 1.00 1.06 H new ATOM 0 HG23 THR A 7 -2.355 7.994 -5.792 1.00 1.06 H new ATOM 110 N ASP A 8 -0.556 10.330 -1.920 1.00 0.41 N ATOM 111 CA ASP A 8 0.197 11.062 -0.909 1.00 0.46 C ATOM 112 C ASP A 8 0.223 10.292 0.407 1.00 0.40 C ATOM 113 O ASP A 8 1.276 10.136 1.027 1.00 0.48 O ATOM 114 CB ASP A 8 -0.427 12.442 -0.696 1.00 0.64 C ATOM 115 CG ASP A 8 -0.516 13.241 -1.979 1.00 1.36 C ATOM 116 OD1 ASP A 8 -1.447 13.002 -2.770 1.00 2.19 O ATOM 117 OD2 ASP A 8 0.348 14.120 -2.202 1.00 1.63 O ATOM 0 H ASP A 8 -1.367 10.835 -2.278 1.00 0.41 H new ATOM 0 HA ASP A 8 1.223 11.180 -1.258 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -1.425 12.325 -0.274 1.00 0.64 H new ATOM 0 HB3 ASP A 8 0.164 12.996 0.033 1.00 0.64 H new ATOM 122 N ASP A 9 -0.941 9.803 0.824 1.00 0.40 N ATOM 123 CA ASP A 9 -1.046 9.003 2.039 1.00 0.44 C ATOM 124 C ASP A 9 -0.296 7.696 1.894 1.00 0.38 C ATOM 125 O ASP A 9 0.428 7.287 2.802 1.00 0.44 O ATOM 126 CB ASP A 9 -2.505 8.710 2.387 1.00 0.58 C ATOM 127 CG ASP A 9 -3.173 9.854 3.108 1.00 0.86 C ATOM 128 OD1 ASP A 9 -2.952 9.998 4.328 1.00 1.12 O ATOM 129 OD2 ASP A 9 -3.913 10.616 2.450 1.00 1.12 O ATOM 0 H ASP A 9 -1.826 9.947 0.337 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.601 9.586 2.845 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.056 8.492 1.472 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.553 7.816 3.009 1.00 0.58 H new ATOM 134 N LEU A 10 -0.474 7.042 0.752 1.00 0.35 N ATOM 135 CA LEU A 10 0.197 5.777 0.485 1.00 0.37 C ATOM 136 C LEU A 10 1.712 5.958 0.539 1.00 0.37 C ATOM 137 O LEU A 10 2.420 5.135 1.116 1.00 0.42 O ATOM 138 CB LEU A 10 -0.233 5.233 -0.878 1.00 0.42 C ATOM 139 CG LEU A 10 0.290 3.837 -1.223 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.142 2.828 -0.168 1.00 1.08 C ATOM 141 CD2 LEU A 10 -0.210 3.413 -2.597 1.00 0.79 C ATOM 0 H LEU A 10 -1.077 7.367 -0.003 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.089 5.057 1.252 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.322 5.214 -0.915 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.100 5.928 -1.649 1.00 0.42 H new ATOM 0 HG LEU A 10 1.379 3.870 -1.241 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.239 1.841 -0.431 1.00 1.08 H new ATOM 0 HD12 LEU A 10 0.255 3.124 0.803 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.230 2.795 -0.120 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.169 2.418 -2.831 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -1.300 3.396 -2.598 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.142 4.121 -3.347 1.00 0.79 H new ATOM 153 N ARG A 11 2.191 7.052 -0.049 1.00 0.37 N ATOM 154 CA ARG A 11 3.609 7.395 -0.023 1.00 0.45 C ATOM 155 C ARG A 11 4.119 7.424 1.416 1.00 0.48 C ATOM 156 O ARG A 11 5.206 6.930 1.711 1.00 0.60 O ATOM 157 CB ARG A 11 3.842 8.759 -0.678 1.00 0.52 C ATOM 158 CG ARG A 11 5.313 9.106 -0.864 1.00 0.67 C ATOM 159 CD ARG A 11 5.501 10.546 -1.324 1.00 0.85 C ATOM 160 NE ARG A 11 4.733 10.847 -2.536 1.00 1.04 N ATOM 161 CZ ARG A 11 4.882 11.962 -3.259 1.00 1.36 C ATOM 162 NH1 ARG A 11 5.840 12.833 -2.960 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.093 12.190 -4.304 1.00 2.17 N ATOM 0 H ARG A 11 1.610 7.721 -0.554 1.00 0.37 H new ATOM 0 HA ARG A 11 4.156 6.635 -0.582 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.349 8.774 -1.650 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.370 9.530 -0.069 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.844 8.952 0.075 1.00 0.67 H new ATOM 0 HG3 ARG A 11 5.756 8.430 -1.595 1.00 0.67 H new ATOM 0 HD2 ARG A 11 5.196 11.223 -0.526 1.00 0.85 H new ATOM 0 HD3 ARG A 11 6.559 10.730 -1.512 1.00 0.85 H new ATOM 0 HE ARG A 11 4.042 10.164 -2.847 1.00 1.04 H new ATOM 0 HH11 ARG A 11 6.466 12.653 -2.175 1.00 1.64 H new ATOM 0 HH12 ARG A 11 5.949 13.682 -3.515 1.00 1.64 H new ATOM 0 HH21 ARG A 11 3.372 11.514 -4.556 1.00 2.17 H new ATOM 0 HH22 ARG A 11 4.208 13.041 -4.854 1.00 2.17 H new ATOM 177 N ARG A 12 3.311 7.987 2.312 1.00 0.43 N ATOM 178 CA ARG A 12 3.682 8.097 3.718 1.00 0.46 C ATOM 179 C ARG A 12 3.615 6.747 4.414 1.00 0.44 C ATOM 180 O ARG A 12 4.491 6.411 5.205 1.00 0.46 O ATOM 181 CB ARG A 12 2.775 9.078 4.459 1.00 0.53 C ATOM 182 CG ARG A 12 2.932 10.521 4.023 1.00 0.91 C ATOM 183 CD ARG A 12 2.191 11.447 4.970 1.00 1.49 C ATOM 184 NE ARG A 12 2.734 11.377 6.331 1.00 2.06 N ATOM 185 CZ ARG A 12 1.987 11.362 7.439 1.00 2.93 C ATOM 186 NH1 ARG A 12 0.663 11.395 7.353 1.00 3.32 N ATOM 187 NH2 ARG A 12 2.566 11.309 8.636 1.00 3.66 N ATOM 0 H ARG A 12 2.394 8.374 2.087 1.00 0.43 H new ATOM 0 HA ARG A 12 4.707 8.466 3.743 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.738 8.777 4.313 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.980 9.009 5.527 1.00 0.53 H new ATOM 0 HG2 ARG A 12 3.989 10.787 3.998 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.549 10.645 3.010 1.00 0.91 H new ATOM 0 HD2 ARG A 12 2.257 12.471 4.604 1.00 1.49 H new ATOM 0 HD3 ARG A 12 1.134 11.182 4.986 1.00 1.49 H new ATOM 0 HE ARG A 12 3.748 11.337 6.439 1.00 2.06 H new ATOM 0 HH11 ARG A 12 0.212 11.432 6.439 1.00 3.32 H new ATOM 0 HH12 ARG A 12 0.096 11.383 8.201 1.00 3.32 H new ATOM 0 HH21 ARG A 12 3.583 11.280 8.710 1.00 3.66 H new ATOM 0 HH22 ARG A 12 1.993 11.298 9.480 1.00 3.66 H new ATOM 201 N ALA A 13 2.589 5.970 4.089 1.00 0.43 N ATOM 202 CA ALA A 13 2.324 4.712 4.777 1.00 0.44 C ATOM 203 C ALA A 13 3.506 3.755 4.672 1.00 0.43 C ATOM 204 O ALA A 13 3.832 3.055 5.633 1.00 0.47 O ATOM 205 CB ALA A 13 1.069 4.063 4.212 1.00 0.49 C ATOM 0 H ALA A 13 1.923 6.191 3.349 1.00 0.43 H new ATOM 0 HA ALA A 13 2.171 4.934 5.833 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.879 3.124 4.732 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.220 4.732 4.350 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.208 3.867 3.149 1.00 0.49 H new ATOM 211 N LEU A 14 4.150 3.735 3.512 1.00 0.41 N ATOM 212 CA LEU A 14 5.331 2.906 3.313 1.00 0.45 C ATOM 213 C LEU A 14 6.454 3.346 4.258 1.00 0.47 C ATOM 214 O LEU A 14 7.044 2.526 4.963 1.00 0.53 O ATOM 215 CB LEU A 14 5.804 2.969 1.851 1.00 0.49 C ATOM 216 CG LEU A 14 5.079 2.042 0.862 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.272 0.588 1.245 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.600 2.371 0.768 1.00 0.70 C ATOM 0 H LEU A 14 3.875 4.282 2.696 1.00 0.41 H new ATOM 0 HA LEU A 14 5.067 1.873 3.540 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.696 3.995 1.500 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.868 2.733 1.825 1.00 0.49 H new ATOM 0 HG LEU A 14 5.521 2.206 -0.121 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.750 -0.049 0.531 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.335 0.347 1.236 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.870 0.418 2.244 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.121 1.695 0.060 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.138 2.255 1.749 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.477 3.399 0.428 1.00 0.70 H new ATOM 230 N VAL A 15 6.708 4.649 4.301 1.00 0.50 N ATOM 231 CA VAL A 15 7.772 5.200 5.134 1.00 0.57 C ATOM 232 C VAL A 15 7.440 5.036 6.617 1.00 0.60 C ATOM 233 O VAL A 15 8.305 4.672 7.420 1.00 0.71 O ATOM 234 CB VAL A 15 8.014 6.693 4.823 1.00 0.60 C ATOM 235 CG1 VAL A 15 9.191 7.230 5.627 1.00 0.70 C ATOM 236 CG2 VAL A 15 8.252 6.897 3.334 1.00 0.60 C ATOM 0 H VAL A 15 6.190 5.346 3.767 1.00 0.50 H new ATOM 0 HA VAL A 15 8.682 4.645 4.906 1.00 0.57 H new ATOM 0 HB VAL A 15 7.121 7.248 5.111 1.00 0.60 H new ATOM 0 HG11 VAL A 15 9.342 8.283 5.391 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.984 7.123 6.692 1.00 0.70 H new ATOM 0 HG13 VAL A 15 10.091 6.669 5.374 1.00 0.70 H new ATOM 0 HG21 VAL A 15 8.421 7.955 3.134 1.00 0.60 H new ATOM 0 HG22 VAL A 15 9.127 6.325 3.024 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.380 6.557 2.776 1.00 0.60 H new ATOM 246 N GLU A 16 6.184 5.306 6.972 1.00 0.59 N ATOM 247 CA GLU A 16 5.713 5.159 8.349 1.00 0.70 C ATOM 248 C GLU A 16 5.899 3.729 8.850 1.00 0.75 C ATOM 249 O GLU A 16 6.231 3.508 10.015 1.00 0.92 O ATOM 250 CB GLU A 16 4.237 5.556 8.464 1.00 0.86 C ATOM 251 CG GLU A 16 3.975 7.036 8.227 1.00 0.96 C ATOM 252 CD GLU A 16 2.497 7.382 8.268 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.944 7.539 9.378 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.882 7.496 7.188 1.00 1.28 O ATOM 0 H GLU A 16 5.470 5.630 6.320 1.00 0.59 H new ATOM 0 HA GLU A 16 6.312 5.825 8.970 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.658 4.975 7.746 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.875 5.288 9.457 1.00 0.86 H new ATOM 0 HG2 GLU A 16 4.502 7.620 8.982 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.385 7.323 7.259 1.00 0.96 H new ATOM 261 N SER A 17 5.693 2.762 7.966 1.00 0.68 N ATOM 262 CA SER A 17 5.825 1.359 8.329 1.00 0.78 C ATOM 263 C SER A 17 7.287 0.929 8.335 1.00 0.80 C ATOM 264 O SER A 17 7.690 0.092 9.141 1.00 1.05 O ATOM 265 CB SER A 17 5.023 0.500 7.359 1.00 0.81 C ATOM 266 OG SER A 17 3.690 0.969 7.266 1.00 1.25 O ATOM 0 H SER A 17 5.434 2.924 6.993 1.00 0.68 H new ATOM 0 HA SER A 17 5.434 1.224 9.337 1.00 0.78 H new ATOM 0 HB2 SER A 17 5.491 0.519 6.375 1.00 0.81 H new ATOM 0 HB3 SER A 17 5.027 -0.537 7.694 1.00 0.81 H new ATOM 0 HG SER A 17 3.626 1.631 6.547 1.00 1.25 H new ATOM 272 N ALA A 18 8.078 1.508 7.436 1.00 0.74 N ATOM 273 CA ALA A 18 9.502 1.213 7.372 1.00 0.87 C ATOM 274 C ALA A 18 10.211 1.725 8.618 1.00 1.11 C ATOM 275 O ALA A 18 10.997 1.009 9.239 1.00 1.68 O ATOM 276 CB ALA A 18 10.122 1.823 6.124 1.00 1.09 C ATOM 0 H ALA A 18 7.755 2.183 6.743 1.00 0.74 H new ATOM 0 HA ALA A 18 9.623 0.131 7.324 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.187 1.591 6.096 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.637 1.412 5.239 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.987 2.904 6.142 1.00 1.09 H new ATOM 282 N GLY A 19 9.918 2.966 8.987 1.00 1.18 N ATOM 283 CA GLY A 19 10.545 3.561 10.151 1.00 1.63 C ATOM 284 C GLY A 19 11.865 4.219 9.810 1.00 1.60 C ATOM 285 O GLY A 19 12.595 4.665 10.697 1.00 2.14 O ATOM 0 H GLY A 19 9.257 3.571 8.500 1.00 1.18 H new ATOM 0 HA2 GLY A 19 9.873 4.301 10.586 1.00 1.63 H new ATOM 0 HA3 GLY A 19 10.707 2.793 10.908 1.00 1.63 H new ATOM 289 N GLU A 20 12.168 4.281 8.524 1.00 1.86 N ATOM 290 CA GLU A 20 13.414 4.861 8.062 1.00 2.28 C ATOM 291 C GLU A 20 13.209 5.537 6.708 1.00 2.06 C ATOM 292 O GLU A 20 12.287 5.191 5.972 1.00 2.51 O ATOM 293 CB GLU A 20 14.489 3.777 7.970 1.00 3.28 C ATOM 294 CG GLU A 20 15.880 4.317 7.688 1.00 4.13 C ATOM 295 CD GLU A 20 16.312 5.356 8.702 1.00 4.94 C ATOM 296 OE1 GLU A 20 15.936 6.538 8.538 1.00 5.32 O ATOM 297 OE2 GLU A 20 17.027 4.997 9.660 1.00 5.47 O ATOM 0 H GLU A 20 11.563 3.934 7.779 1.00 1.86 H new ATOM 0 HA GLU A 20 13.744 5.617 8.775 1.00 2.28 H new ATOM 0 HB2 GLU A 20 14.509 3.218 8.905 1.00 3.28 H new ATOM 0 HB3 GLU A 20 14.216 3.073 7.184 1.00 3.28 H new ATOM 0 HG2 GLU A 20 16.594 3.493 7.689 1.00 4.13 H new ATOM 0 HG3 GLU A 20 15.901 4.756 6.690 1.00 4.13 H new ATOM 304 N THR A 21 14.064 6.499 6.395 1.00 2.21 N ATOM 305 CA THR A 21 13.953 7.249 5.151 1.00 2.61 C ATOM 306 C THR A 21 15.038 6.830 4.162 1.00 2.53 C ATOM 307 O THR A 21 15.132 7.351 3.049 1.00 3.19 O ATOM 308 CB THR A 21 14.059 8.762 5.417 1.00 3.61 C ATOM 309 OG1 THR A 21 13.700 9.503 4.244 1.00 3.97 O ATOM 310 CG2 THR A 21 15.466 9.146 5.853 1.00 4.47 C ATOM 0 H THR A 21 14.845 6.780 6.987 1.00 2.21 H new ATOM 0 HA THR A 21 12.977 7.029 4.719 1.00 2.61 H new ATOM 0 HB THR A 21 13.367 9.006 6.223 1.00 3.61 H new ATOM 0 HG1 THR A 21 14.037 9.040 3.449 1.00 3.97 H new ATOM 0 HG21 THR A 21 15.511 10.220 6.034 1.00 4.47 H new ATOM 0 HG22 THR A 21 15.721 8.613 6.769 1.00 4.47 H new ATOM 0 HG23 THR A 21 16.175 8.880 5.069 1.00 4.47 H new ATOM 318 N ASP A 22 15.842 5.877 4.583 1.00 2.22 N ATOM 319 CA ASP A 22 16.952 5.389 3.775 1.00 2.50 C ATOM 320 C ASP A 22 16.500 4.280 2.835 1.00 2.35 C ATOM 321 O ASP A 22 16.157 3.181 3.274 1.00 2.83 O ATOM 322 CB ASP A 22 18.080 4.894 4.685 1.00 3.16 C ATOM 323 CG ASP A 22 19.156 4.134 3.937 1.00 3.77 C ATOM 324 OD1 ASP A 22 19.765 4.722 3.018 1.00 4.01 O ATOM 325 OD2 ASP A 22 19.393 2.951 4.256 1.00 4.40 O ATOM 0 H ASP A 22 15.750 5.417 5.489 1.00 2.22 H new ATOM 0 HA ASP A 22 17.322 6.213 3.164 1.00 2.50 H new ATOM 0 HB2 ASP A 22 18.531 5.747 5.191 1.00 3.16 H new ATOM 0 HB3 ASP A 22 17.660 4.251 5.458 1.00 3.16 H new ATOM 330 N GLY A 23 16.492 4.575 1.543 1.00 2.30 N ATOM 331 CA GLY A 23 16.081 3.589 0.564 1.00 2.50 C ATOM 332 C GLY A 23 14.671 3.826 0.059 1.00 2.18 C ATOM 333 O GLY A 23 14.296 3.339 -1.005 1.00 2.54 O ATOM 0 H GLY A 23 16.763 5.479 1.155 1.00 2.30 H new ATOM 0 HA2 GLY A 23 16.773 3.607 -0.278 1.00 2.50 H new ATOM 0 HA3 GLY A 23 16.143 2.595 1.006 1.00 2.50 H new ATOM 337 N THR A 24 13.894 4.585 0.817 1.00 1.95 N ATOM 338 CA THR A 24 12.505 4.851 0.474 1.00 2.00 C ATOM 339 C THR A 24 12.390 5.938 -0.596 1.00 1.78 C ATOM 340 O THR A 24 11.997 7.071 -0.309 1.00 1.91 O ATOM 341 CB THR A 24 11.707 5.272 1.724 1.00 2.29 C ATOM 342 OG1 THR A 24 12.374 6.355 2.383 1.00 3.02 O ATOM 343 CG2 THR A 24 11.542 4.099 2.680 1.00 2.19 C ATOM 0 H THR A 24 14.205 5.031 1.680 1.00 1.95 H new ATOM 0 HA THR A 24 12.088 3.927 0.074 1.00 2.00 H new ATOM 0 HB THR A 24 10.715 5.598 1.410 1.00 2.29 H new ATOM 0 HG1 THR A 24 12.438 7.119 1.773 1.00 3.02 H new ATOM 0 HG21 THR A 24 10.976 4.419 3.555 1.00 2.19 H new ATOM 0 HG22 THR A 24 11.008 3.292 2.178 1.00 2.19 H new ATOM 0 HG23 THR A 24 12.524 3.744 2.993 1.00 2.19 H new ATOM 351 N ASP A 25 12.777 5.601 -1.821 1.00 1.72 N ATOM 352 CA ASP A 25 12.662 6.532 -2.936 1.00 1.73 C ATOM 353 C ASP A 25 11.288 6.410 -3.576 1.00 1.40 C ATOM 354 O ASP A 25 11.069 5.596 -4.472 1.00 1.55 O ATOM 355 CB ASP A 25 13.756 6.290 -3.982 1.00 2.18 C ATOM 356 CG ASP A 25 13.905 7.447 -4.959 1.00 2.30 C ATOM 357 OD1 ASP A 25 12.908 7.846 -5.596 1.00 2.76 O ATOM 358 OD2 ASP A 25 15.038 7.952 -5.107 1.00 2.59 O ATOM 0 H ASP A 25 13.172 4.693 -2.066 1.00 1.72 H new ATOM 0 HA ASP A 25 12.790 7.542 -2.547 1.00 1.73 H new ATOM 0 HB2 ASP A 25 14.707 6.124 -3.475 1.00 2.18 H new ATOM 0 HB3 ASP A 25 13.527 5.380 -4.536 1.00 2.18 H new ATOM 363 N LEU A 26 10.357 7.198 -3.071 1.00 1.15 N ATOM 364 CA LEU A 26 9.010 7.251 -3.618 1.00 1.01 C ATOM 365 C LEU A 26 8.784 8.610 -4.267 1.00 1.04 C ATOM 366 O LEU A 26 7.742 9.239 -4.082 1.00 1.18 O ATOM 367 CB LEU A 26 7.962 7.005 -2.522 1.00 1.12 C ATOM 368 CG LEU A 26 7.782 5.544 -2.079 1.00 0.89 C ATOM 369 CD1 LEU A 26 8.997 5.031 -1.326 1.00 1.28 C ATOM 370 CD2 LEU A 26 6.542 5.397 -1.220 1.00 1.60 C ATOM 0 H LEU A 26 10.510 7.817 -2.275 1.00 1.15 H new ATOM 0 HA LEU A 26 8.902 6.466 -4.366 1.00 1.01 H new ATOM 0 HB2 LEU A 26 8.232 7.598 -1.648 1.00 1.12 H new ATOM 0 HB3 LEU A 26 7.001 7.378 -2.876 1.00 1.12 H new ATOM 0 HG LEU A 26 7.667 4.943 -2.981 1.00 0.89 H new ATOM 0 HD11 LEU A 26 8.831 3.995 -1.030 1.00 1.28 H new ATOM 0 HD12 LEU A 26 9.875 5.088 -1.970 1.00 1.28 H new ATOM 0 HD13 LEU A 26 9.159 5.641 -0.437 1.00 1.28 H new ATOM 0 HD21 LEU A 26 6.431 4.356 -0.916 1.00 1.60 H new ATOM 0 HD22 LEU A 26 6.636 6.026 -0.334 1.00 1.60 H new ATOM 0 HD23 LEU A 26 5.665 5.703 -1.791 1.00 1.60 H new ATOM 382 N SER A 27 9.778 9.048 -5.027 1.00 1.09 N ATOM 383 CA SER A 27 9.781 10.377 -5.616 1.00 1.24 C ATOM 384 C SER A 27 8.757 10.498 -6.744 1.00 1.33 C ATOM 385 O SER A 27 9.045 10.172 -7.895 1.00 1.85 O ATOM 386 CB SER A 27 11.182 10.693 -6.139 1.00 1.39 C ATOM 387 OG SER A 27 12.157 10.433 -5.143 1.00 2.08 O ATOM 0 H SER A 27 10.603 8.492 -5.252 1.00 1.09 H new ATOM 0 HA SER A 27 9.502 11.095 -4.845 1.00 1.24 H new ATOM 0 HB2 SER A 27 11.390 10.092 -7.024 1.00 1.39 H new ATOM 0 HB3 SER A 27 11.235 11.738 -6.444 1.00 1.39 H new ATOM 0 HG SER A 27 12.584 9.569 -5.321 1.00 2.08 H new ATOM 393 N GLY A 28 7.557 10.950 -6.399 1.00 1.34 N ATOM 394 CA GLY A 28 6.518 11.147 -7.390 1.00 1.58 C ATOM 395 C GLY A 28 5.819 9.853 -7.748 1.00 1.41 C ATOM 396 O GLY A 28 4.672 9.627 -7.353 1.00 1.84 O ATOM 0 H GLY A 28 7.285 11.185 -5.444 1.00 1.34 H new ATOM 0 HA2 GLY A 28 5.787 11.861 -7.011 1.00 1.58 H new ATOM 0 HA3 GLY A 28 6.953 11.584 -8.289 1.00 1.58 H new ATOM 400 N ASP A 29 6.516 9.000 -8.482 1.00 1.35 N ATOM 401 CA ASP A 29 5.965 7.724 -8.912 1.00 1.28 C ATOM 402 C ASP A 29 6.541 6.589 -8.073 1.00 1.21 C ATOM 403 O ASP A 29 7.624 6.722 -7.500 1.00 1.84 O ATOM 404 CB ASP A 29 6.255 7.481 -10.399 1.00 1.54 C ATOM 405 CG ASP A 29 7.737 7.344 -10.697 1.00 2.18 C ATOM 406 OD1 ASP A 29 8.415 8.382 -10.862 1.00 2.64 O ATOM 407 OD2 ASP A 29 8.227 6.202 -10.774 1.00 2.77 O ATOM 0 H ASP A 29 7.472 9.170 -8.795 1.00 1.35 H new ATOM 0 HA ASP A 29 4.885 7.754 -8.771 1.00 1.28 H new ATOM 0 HB2 ASP A 29 5.740 6.576 -10.721 1.00 1.54 H new ATOM 0 HB3 ASP A 29 5.847 8.306 -10.983 1.00 1.54 H new ATOM 412 N PHE A 30 5.805 5.481 -8.003 1.00 0.72 N ATOM 413 CA PHE A 30 6.216 4.317 -7.215 1.00 0.64 C ATOM 414 C PHE A 30 5.192 3.193 -7.349 1.00 0.53 C ATOM 415 O PHE A 30 5.517 2.022 -7.172 1.00 0.50 O ATOM 416 CB PHE A 30 6.413 4.677 -5.733 1.00 0.64 C ATOM 417 CG PHE A 30 5.171 5.147 -5.016 1.00 0.57 C ATOM 418 CD1 PHE A 30 4.740 6.462 -5.137 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.427 4.274 -4.235 1.00 0.70 C ATOM 420 CE1 PHE A 30 3.595 6.893 -4.487 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.283 4.701 -3.587 1.00 0.87 C ATOM 422 CZ PHE A 30 2.890 6.017 -3.675 1.00 0.92 C ATOM 0 H PHE A 30 4.914 5.363 -8.486 1.00 0.72 H new ATOM 0 HA PHE A 30 7.174 3.977 -7.608 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.805 3.803 -5.212 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.171 5.457 -5.663 1.00 0.64 H new ATOM 0 HD1 PHE A 30 5.303 7.155 -5.744 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.746 3.247 -4.132 1.00 0.70 H new ATOM 0 HE1 PHE A 30 3.252 7.909 -4.612 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.697 4.001 -3.011 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.036 6.366 -3.114 1.00 0.92 H new ATOM 432 N LEU A 31 3.952 3.571 -7.657 1.00 0.50 N ATOM 433 CA LEU A 31 2.854 2.616 -7.847 1.00 0.45 C ATOM 434 C LEU A 31 3.194 1.548 -8.884 1.00 0.41 C ATOM 435 O LEU A 31 2.624 0.456 -8.880 1.00 0.43 O ATOM 436 CB LEU A 31 1.589 3.347 -8.302 1.00 0.52 C ATOM 437 CG LEU A 31 1.069 4.436 -7.358 1.00 0.54 C ATOM 438 CD1 LEU A 31 -0.139 5.130 -7.964 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.708 3.845 -6.009 1.00 0.43 C ATOM 0 H LEU A 31 3.678 4.545 -7.782 1.00 0.50 H new ATOM 0 HA LEU A 31 2.690 2.129 -6.886 1.00 0.45 H new ATOM 0 HB2 LEU A 31 1.784 3.799 -9.274 1.00 0.52 H new ATOM 0 HB3 LEU A 31 0.799 2.610 -8.446 1.00 0.52 H new ATOM 0 HG LEU A 31 1.861 5.171 -7.215 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.496 5.901 -7.281 1.00 0.78 H new ATOM 0 HD12 LEU A 31 0.142 5.588 -8.913 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.931 4.400 -8.134 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.341 4.634 -5.353 1.00 0.43 H new ATOM 0 HD22 LEU A 31 -0.068 3.090 -6.138 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.591 3.385 -5.565 1.00 0.43 H new ATOM 451 N ASP A 32 4.120 1.877 -9.768 1.00 0.41 N ATOM 452 CA ASP A 32 4.406 1.058 -10.937 1.00 0.43 C ATOM 453 C ASP A 32 5.477 0.023 -10.633 1.00 0.42 C ATOM 454 O ASP A 32 5.620 -0.962 -11.358 1.00 0.51 O ATOM 455 CB ASP A 32 4.874 1.960 -12.078 1.00 0.56 C ATOM 456 CG ASP A 32 4.021 3.205 -12.211 1.00 1.39 C ATOM 457 OD1 ASP A 32 4.236 4.165 -11.442 1.00 2.29 O ATOM 458 OD2 ASP A 32 3.136 3.233 -13.094 1.00 1.73 O ATOM 0 H ASP A 32 4.694 2.717 -9.698 1.00 0.41 H new ATOM 0 HA ASP A 32 3.496 0.531 -11.223 1.00 0.43 H new ATOM 0 HB2 ASP A 32 5.911 2.249 -11.908 1.00 0.56 H new ATOM 0 HB3 ASP A 32 4.848 1.402 -13.014 1.00 0.56 H new ATOM 463 N LEU A 33 6.221 0.244 -9.561 1.00 0.43 N ATOM 464 CA LEU A 33 7.301 -0.659 -9.184 1.00 0.48 C ATOM 465 C LEU A 33 6.787 -1.752 -8.256 1.00 0.42 C ATOM 466 O LEU A 33 5.806 -1.554 -7.544 1.00 0.46 O ATOM 467 CB LEU A 33 8.428 0.117 -8.496 1.00 0.56 C ATOM 468 CG LEU A 33 9.050 1.238 -9.332 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.142 1.947 -8.548 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.601 0.690 -10.640 1.00 1.01 C ATOM 0 H LEU A 33 6.098 1.040 -8.936 1.00 0.43 H new ATOM 0 HA LEU A 33 7.690 -1.122 -10.091 1.00 0.48 H new ATOM 0 HB2 LEU A 33 8.041 0.546 -7.572 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.213 -0.585 -8.217 1.00 0.56 H new ATOM 0 HG LEU A 33 8.270 1.962 -9.566 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.572 2.741 -9.159 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.718 2.377 -7.641 1.00 1.23 H new ATOM 0 HD13 LEU A 33 10.921 1.232 -8.281 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.039 1.503 -11.219 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.366 -0.057 -10.428 1.00 1.01 H new ATOM 0 HD23 LEU A 33 8.794 0.231 -11.211 1.00 1.01 H new ATOM 482 N ARG A 34 7.443 -2.903 -8.270 1.00 0.40 N ATOM 483 CA ARG A 34 7.100 -3.986 -7.356 1.00 0.39 C ATOM 484 C ARG A 34 7.478 -3.624 -5.927 1.00 0.36 C ATOM 485 O ARG A 34 8.404 -2.845 -5.702 1.00 0.42 O ATOM 486 CB ARG A 34 7.829 -5.276 -7.737 1.00 0.50 C ATOM 487 CG ARG A 34 7.075 -6.179 -8.692 1.00 0.66 C ATOM 488 CD ARG A 34 7.818 -7.489 -8.888 1.00 0.80 C ATOM 489 NE ARG A 34 7.045 -8.459 -9.656 1.00 1.41 N ATOM 490 CZ ARG A 34 7.594 -9.373 -10.449 1.00 1.84 C ATOM 491 NH1 ARG A 34 8.916 -9.433 -10.570 1.00 1.72 N ATOM 492 NH2 ARG A 34 6.828 -10.234 -11.111 1.00 2.88 N ATOM 0 H ARG A 34 8.215 -3.112 -8.903 1.00 0.40 H new ATOM 0 HA ARG A 34 6.023 -4.140 -7.427 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.787 -5.015 -8.187 1.00 0.50 H new ATOM 0 HB3 ARG A 34 8.046 -5.835 -6.827 1.00 0.50 H new ATOM 0 HG2 ARG A 34 6.076 -6.376 -8.303 1.00 0.66 H new ATOM 0 HG3 ARG A 34 6.950 -5.678 -9.652 1.00 0.66 H new ATOM 0 HD2 ARG A 34 8.762 -7.295 -9.398 1.00 0.80 H new ATOM 0 HD3 ARG A 34 8.063 -7.913 -7.914 1.00 0.80 H new ATOM 0 HE ARG A 34 6.028 -8.434 -9.580 1.00 1.41 H new ATOM 0 HH11 ARG A 34 9.505 -8.779 -10.055 1.00 1.72 H new ATOM 0 HH12 ARG A 34 9.341 -10.133 -11.178 1.00 1.72 H new ATOM 0 HH21 ARG A 34 5.814 -10.195 -11.012 1.00 2.88 H new ATOM 0 HH22 ARG A 34 7.255 -10.934 -11.718 1.00 2.88 H new ATOM 506 N PHE A 35 6.763 -4.193 -4.967 1.00 0.36 N ATOM 507 CA PHE A 35 7.109 -4.032 -3.557 1.00 0.39 C ATOM 508 C PHE A 35 8.534 -4.515 -3.296 1.00 0.46 C ATOM 509 O PHE A 35 9.294 -3.878 -2.565 1.00 0.49 O ATOM 510 CB PHE A 35 6.123 -4.787 -2.663 1.00 0.45 C ATOM 511 CG PHE A 35 4.720 -4.251 -2.725 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.422 -2.993 -2.222 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.699 -5.003 -3.291 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.134 -2.496 -2.280 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.410 -4.509 -3.351 1.00 0.59 C ATOM 516 CZ PHE A 35 2.122 -3.269 -2.831 1.00 0.59 C ATOM 0 H PHE A 35 5.939 -4.771 -5.136 1.00 0.36 H new ATOM 0 HA PHE A 35 7.049 -2.971 -3.315 1.00 0.39 H new ATOM 0 HB2 PHE A 35 6.114 -5.838 -2.953 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.474 -4.744 -1.632 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.206 -2.395 -1.780 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.915 -5.984 -3.688 1.00 0.52 H new ATOM 0 HE1 PHE A 35 2.916 -1.510 -1.898 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.628 -5.098 -3.807 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.108 -2.897 -2.851 1.00 0.59 H new ATOM 526 N GLU A 36 8.889 -5.645 -3.909 1.00 0.59 N ATOM 527 CA GLU A 36 10.242 -6.193 -3.801 1.00 0.76 C ATOM 528 C GLU A 36 11.285 -5.218 -4.352 1.00 0.71 C ATOM 529 O GLU A 36 12.457 -5.272 -3.979 1.00 0.80 O ATOM 530 CB GLU A 36 10.352 -7.526 -4.555 1.00 1.00 C ATOM 531 CG GLU A 36 10.084 -7.397 -6.047 1.00 1.26 C ATOM 532 CD GLU A 36 10.713 -8.510 -6.859 1.00 1.89 C ATOM 533 OE1 GLU A 36 11.897 -8.394 -7.228 1.00 2.28 O ATOM 534 OE2 GLU A 36 10.028 -9.523 -7.113 1.00 2.60 O ATOM 0 H GLU A 36 8.257 -6.200 -4.487 1.00 0.59 H new ATOM 0 HA GLU A 36 10.438 -6.357 -2.741 1.00 0.76 H new ATOM 0 HB2 GLU A 36 11.350 -7.938 -4.406 1.00 1.00 H new ATOM 0 HB3 GLU A 36 9.646 -8.237 -4.126 1.00 1.00 H new ATOM 0 HG2 GLU A 36 9.008 -7.393 -6.218 1.00 1.26 H new ATOM 0 HG3 GLU A 36 10.466 -6.438 -6.398 1.00 1.26 H new ATOM 541 N ASP A 37 10.846 -4.322 -5.231 1.00 0.65 N ATOM 542 CA ASP A 37 11.754 -3.422 -5.935 1.00 0.74 C ATOM 543 C ASP A 37 12.018 -2.187 -5.092 1.00 0.66 C ATOM 544 O ASP A 37 13.113 -1.631 -5.107 1.00 0.75 O ATOM 545 CB ASP A 37 11.156 -3.017 -7.286 1.00 0.86 C ATOM 546 CG ASP A 37 12.174 -2.395 -8.224 1.00 1.28 C ATOM 547 OD1 ASP A 37 12.953 -3.155 -8.830 1.00 1.38 O ATOM 548 OD2 ASP A 37 12.172 -1.156 -8.393 1.00 2.03 O ATOM 0 H ASP A 37 9.863 -4.200 -5.474 1.00 0.65 H new ATOM 0 HA ASP A 37 12.697 -3.940 -6.110 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.721 -3.896 -7.762 1.00 0.86 H new ATOM 0 HB3 ASP A 37 10.344 -2.309 -7.120 1.00 0.86 H new ATOM 553 N ILE A 38 11.010 -1.776 -4.334 1.00 0.54 N ATOM 554 CA ILE A 38 11.141 -0.613 -3.470 1.00 0.54 C ATOM 555 C ILE A 38 11.638 -0.994 -2.075 1.00 0.50 C ATOM 556 O ILE A 38 11.569 -0.194 -1.145 1.00 0.55 O ATOM 557 CB ILE A 38 9.822 0.180 -3.346 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.645 -0.762 -3.074 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.582 0.994 -4.608 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.335 -0.052 -2.803 1.00 0.57 C ATOM 0 H ILE A 38 10.097 -2.229 -4.300 1.00 0.54 H new ATOM 0 HA ILE A 38 11.883 0.028 -3.947 1.00 0.54 H new ATOM 0 HB ILE A 38 9.905 0.864 -2.501 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.517 -1.423 -3.931 1.00 0.48 H new ATOM 0 HG13 ILE A 38 8.888 -1.392 -2.219 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.649 1.550 -4.511 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.407 1.692 -4.753 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.518 0.325 -5.466 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.553 -0.789 -2.620 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.442 0.588 -1.927 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.066 0.557 -3.666 1.00 0.57 H new ATOM 572 N GLY A 39 12.154 -2.214 -1.947 1.00 0.53 N ATOM 573 CA GLY A 39 12.821 -2.628 -0.721 1.00 0.58 C ATOM 574 C GLY A 39 11.881 -3.053 0.399 1.00 0.51 C ATOM 575 O GLY A 39 12.245 -2.984 1.573 1.00 0.62 O ATOM 0 H GLY A 39 12.122 -2.928 -2.675 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.491 -3.457 -0.949 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.441 -1.806 -0.365 1.00 0.58 H new ATOM 579 N TYR A 40 10.687 -3.508 0.057 1.00 0.47 N ATOM 580 CA TYR A 40 9.745 -3.972 1.069 1.00 0.47 C ATOM 581 C TYR A 40 9.539 -5.476 0.969 1.00 0.55 C ATOM 582 O TYR A 40 9.092 -5.988 -0.056 1.00 0.71 O ATOM 583 CB TYR A 40 8.417 -3.226 0.953 1.00 0.47 C ATOM 584 CG TYR A 40 8.523 -1.781 1.379 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.840 -0.795 0.456 1.00 0.48 C ATOM 586 CD2 TYR A 40 8.291 -1.402 2.692 1.00 0.49 C ATOM 587 CE1 TYR A 40 8.920 0.529 0.831 1.00 0.52 C ATOM 588 CE2 TYR A 40 8.373 -0.079 3.079 1.00 0.53 C ATOM 589 CZ TYR A 40 8.752 0.869 2.179 1.00 0.53 C ATOM 590 OH TYR A 40 8.766 2.205 2.520 1.00 0.61 O ATOM 0 H TYR A 40 10.347 -3.567 -0.903 1.00 0.47 H new ATOM 0 HA TYR A 40 10.167 -3.758 2.051 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.068 -3.272 -0.078 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.668 -3.728 1.566 1.00 0.47 H new ATOM 0 HD1 TYR A 40 9.027 -1.069 -0.572 1.00 0.48 H new ATOM 0 HD2 TYR A 40 8.042 -2.155 3.425 1.00 0.49 H new ATOM 0 HE1 TYR A 40 9.110 1.295 0.094 1.00 0.52 H new ATOM 0 HE2 TYR A 40 8.137 0.203 4.094 1.00 0.53 H new ATOM 0 HH TYR A 40 9.385 2.346 3.267 1.00 0.61 H new ATOM 600 N ASP A 41 9.886 -6.174 2.044 1.00 0.58 N ATOM 601 CA ASP A 41 9.843 -7.633 2.064 1.00 0.71 C ATOM 602 C ASP A 41 8.518 -8.131 2.654 1.00 0.66 C ATOM 603 O ASP A 41 7.616 -7.337 2.926 1.00 0.93 O ATOM 604 CB ASP A 41 11.029 -8.175 2.870 1.00 0.89 C ATOM 605 CG ASP A 41 11.465 -9.559 2.422 1.00 1.40 C ATOM 606 OD1 ASP A 41 10.845 -10.553 2.853 1.00 1.82 O ATOM 607 OD2 ASP A 41 12.432 -9.656 1.637 1.00 1.93 O ATOM 0 H ASP A 41 10.202 -5.752 2.917 1.00 0.58 H new ATOM 0 HA ASP A 41 9.913 -8.000 1.040 1.00 0.71 H new ATOM 0 HB2 ASP A 41 11.869 -7.487 2.777 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.759 -8.208 3.926 1.00 0.89 H new ATOM 612 N SER A 42 8.430 -9.441 2.865 1.00 0.63 N ATOM 613 CA SER A 42 7.198 -10.108 3.287 1.00 0.63 C ATOM 614 C SER A 42 6.562 -9.445 4.510 1.00 0.54 C ATOM 615 O SER A 42 5.431 -8.959 4.454 1.00 0.50 O ATOM 616 CB SER A 42 7.498 -11.579 3.596 1.00 0.77 C ATOM 617 OG SER A 42 8.488 -11.674 4.672 1.00 0.91 O ATOM 0 H SER A 42 9.218 -10.077 2.747 1.00 0.63 H new ATOM 0 HA SER A 42 6.483 -10.027 2.468 1.00 0.63 H new ATOM 0 HB2 SER A 42 6.582 -12.092 3.888 1.00 0.77 H new ATOM 0 HB3 SER A 42 7.872 -12.078 2.702 1.00 0.77 H new ATOM 622 N LEU A 43 7.303 -9.434 5.612 1.00 0.57 N ATOM 623 CA LEU A 43 6.804 -8.918 6.882 1.00 0.57 C ATOM 624 C LEU A 43 6.397 -7.457 6.772 1.00 0.48 C ATOM 625 O LEU A 43 5.278 -7.090 7.130 1.00 0.49 O ATOM 626 CB LEU A 43 7.871 -9.083 7.968 1.00 0.68 C ATOM 627 CG LEU A 43 7.462 -8.612 9.364 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.314 -9.453 9.897 1.00 0.90 C ATOM 629 CD2 LEU A 43 8.652 -8.670 10.309 1.00 1.32 C ATOM 0 H LEU A 43 8.262 -9.780 5.651 1.00 0.57 H new ATOM 0 HA LEU A 43 5.917 -9.492 7.151 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.148 -10.136 8.025 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.763 -8.534 7.664 1.00 0.68 H new ATOM 0 HG LEU A 43 7.123 -7.578 9.296 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.037 -9.103 10.891 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.457 -9.364 9.229 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.623 -10.497 9.953 1.00 0.90 H new ATOM 0 HD21 LEU A 43 8.347 -8.332 11.299 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.017 -9.695 10.372 1.00 1.32 H new ATOM 0 HD23 LEU A 43 9.446 -8.024 9.934 1.00 1.32 H new ATOM 641 N ALA A 44 7.302 -6.635 6.250 1.00 0.44 N ATOM 642 CA ALA A 44 7.074 -5.198 6.167 1.00 0.41 C ATOM 643 C ALA A 44 5.876 -4.878 5.286 1.00 0.34 C ATOM 644 O ALA A 44 5.187 -3.878 5.496 1.00 0.36 O ATOM 645 CB ALA A 44 8.316 -4.501 5.640 1.00 0.47 C ATOM 0 H ALA A 44 8.201 -6.941 5.878 1.00 0.44 H new ATOM 0 HA ALA A 44 6.858 -4.832 7.171 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.134 -3.428 5.582 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.153 -4.692 6.312 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.554 -4.883 4.647 1.00 0.47 H new ATOM 651 N LEU A 45 5.626 -5.734 4.306 1.00 0.35 N ATOM 652 CA LEU A 45 4.528 -5.527 3.374 1.00 0.35 C ATOM 653 C LEU A 45 3.181 -5.535 4.099 1.00 0.34 C ATOM 654 O LEU A 45 2.378 -4.613 3.940 1.00 0.36 O ATOM 655 CB LEU A 45 4.551 -6.604 2.286 1.00 0.43 C ATOM 656 CG LEU A 45 3.527 -6.420 1.163 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.698 -5.060 0.507 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.663 -7.528 0.126 1.00 0.74 C ATOM 0 H LEU A 45 6.170 -6.580 4.136 1.00 0.35 H new ATOM 0 HA LEU A 45 4.655 -4.549 2.910 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.548 -6.631 1.846 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.382 -7.574 2.754 1.00 0.43 H new ATOM 0 HG LEU A 45 2.529 -6.475 1.597 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.963 -4.945 -0.289 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.553 -4.276 1.251 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.701 -4.982 0.088 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.927 -7.380 -0.664 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.665 -7.504 -0.303 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.495 -8.494 0.602 1.00 0.74 H new ATOM 670 N MET A 46 2.937 -6.568 4.902 1.00 0.36 N ATOM 671 CA MET A 46 1.668 -6.679 5.619 1.00 0.40 C ATOM 672 C MET A 46 1.567 -5.624 6.719 1.00 0.37 C ATOM 673 O MET A 46 0.475 -5.147 7.026 1.00 0.41 O ATOM 674 CB MET A 46 1.462 -8.076 6.219 1.00 0.49 C ATOM 675 CG MET A 46 2.439 -8.436 7.323 1.00 0.52 C ATOM 676 SD MET A 46 1.907 -9.871 8.275 1.00 1.21 S ATOM 677 CE MET A 46 0.385 -9.259 8.994 1.00 1.26 C ATOM 0 H MET A 46 3.592 -7.332 5.072 1.00 0.36 H new ATOM 0 HA MET A 46 0.879 -6.509 4.886 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.448 -8.143 6.612 1.00 0.49 H new ATOM 0 HB3 MET A 46 1.544 -8.816 5.423 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.418 -8.636 6.887 1.00 0.52 H new ATOM 0 HG3 MET A 46 2.557 -7.583 7.992 1.00 0.52 H new ATOM 0 HE1 MET A 46 0.208 -9.756 9.948 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.465 -8.184 9.154 1.00 1.26 H new ATOM 0 HE3 MET A 46 -0.445 -9.465 8.318 1.00 1.26 H new ATOM 687 N GLU A 47 2.702 -5.254 7.307 1.00 0.37 N ATOM 688 CA GLU A 47 2.716 -4.229 8.345 1.00 0.42 C ATOM 689 C GLU A 47 2.290 -2.887 7.760 1.00 0.41 C ATOM 690 O GLU A 47 1.552 -2.127 8.391 1.00 0.47 O ATOM 691 CB GLU A 47 4.104 -4.119 8.983 1.00 0.48 C ATOM 692 CG GLU A 47 4.546 -5.395 9.682 1.00 0.62 C ATOM 693 CD GLU A 47 5.891 -5.259 10.368 1.00 1.21 C ATOM 694 OE1 GLU A 47 6.917 -5.195 9.665 1.00 2.20 O ATOM 695 OE2 GLU A 47 5.924 -5.238 11.618 1.00 1.18 O ATOM 0 H GLU A 47 3.617 -5.646 7.084 1.00 0.37 H new ATOM 0 HA GLU A 47 2.008 -4.515 9.123 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.832 -3.864 8.212 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.102 -3.300 9.703 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.795 -5.677 10.420 1.00 0.62 H new ATOM 0 HG3 GLU A 47 4.596 -6.204 8.953 1.00 0.62 H new ATOM 702 N THR A 48 2.750 -2.614 6.545 1.00 0.37 N ATOM 703 CA THR A 48 2.367 -1.402 5.832 1.00 0.42 C ATOM 704 C THR A 48 0.858 -1.375 5.572 1.00 0.40 C ATOM 705 O THR A 48 0.205 -0.343 5.748 1.00 0.43 O ATOM 706 CB THR A 48 3.119 -1.284 4.490 1.00 0.45 C ATOM 707 OG1 THR A 48 4.535 -1.398 4.704 1.00 0.47 O ATOM 708 CG2 THR A 48 2.818 0.047 3.816 1.00 0.54 C ATOM 0 H THR A 48 3.391 -3.218 6.031 1.00 0.37 H new ATOM 0 HA THR A 48 2.637 -0.556 6.464 1.00 0.42 H new ATOM 0 HB THR A 48 2.781 -2.093 3.842 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.764 -2.334 4.884 1.00 0.47 H new ATOM 0 HG21 THR A 48 3.359 0.107 2.872 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.747 0.125 3.626 1.00 0.54 H new ATOM 0 HG23 THR A 48 3.131 0.863 4.467 1.00 0.54 H new ATOM 716 N ALA A 49 0.314 -2.521 5.171 1.00 0.40 N ATOM 717 CA ALA A 49 -1.109 -2.643 4.851 1.00 0.39 C ATOM 718 C ALA A 49 -1.995 -2.215 6.020 1.00 0.34 C ATOM 719 O ALA A 49 -3.023 -1.564 5.826 1.00 0.33 O ATOM 720 CB ALA A 49 -1.433 -4.073 4.447 1.00 0.46 C ATOM 0 H ALA A 49 0.841 -3.387 5.059 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.317 -1.973 4.017 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.494 -4.153 4.211 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -0.845 -4.346 3.571 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.193 -4.747 5.269 1.00 0.46 H new ATOM 726 N ALA A 50 -1.577 -2.571 7.231 1.00 0.37 N ATOM 727 CA ALA A 50 -2.355 -2.285 8.432 1.00 0.40 C ATOM 728 C ALA A 50 -2.515 -0.784 8.633 1.00 0.39 C ATOM 729 O ALA A 50 -3.516 -0.317 9.174 1.00 0.44 O ATOM 730 CB ALA A 50 -1.707 -2.917 9.656 1.00 0.49 C ATOM 0 H ALA A 50 -0.700 -3.060 7.407 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.346 -2.720 8.301 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.303 -2.692 10.540 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.652 -3.997 9.521 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.702 -2.515 9.784 1.00 0.49 H new ATOM 736 N ARG A 51 -1.523 -0.033 8.181 1.00 0.37 N ATOM 737 CA ARG A 51 -1.532 1.412 8.318 1.00 0.44 C ATOM 738 C ARG A 51 -2.642 2.028 7.470 1.00 0.40 C ATOM 739 O ARG A 51 -3.279 3.003 7.870 1.00 0.52 O ATOM 740 CB ARG A 51 -0.176 1.984 7.911 1.00 0.52 C ATOM 741 CG ARG A 51 0.994 1.480 8.745 1.00 0.68 C ATOM 742 CD ARG A 51 0.924 1.953 10.194 1.00 0.95 C ATOM 743 NE ARG A 51 -0.170 1.326 10.950 1.00 1.47 N ATOM 744 CZ ARG A 51 -0.088 0.990 12.241 1.00 1.90 C ATOM 745 NH1 ARG A 51 1.052 1.162 12.904 1.00 1.94 N ATOM 746 NH2 ARG A 51 -1.139 0.463 12.861 1.00 2.86 N ATOM 0 H ARG A 51 -0.697 -0.405 7.713 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.722 1.660 9.362 1.00 0.44 H new ATOM 0 HB2 ARG A 51 0.008 1.741 6.864 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.217 3.071 7.984 1.00 0.52 H new ATOM 0 HG2 ARG A 51 1.010 0.390 8.722 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.928 1.822 8.299 1.00 0.68 H new ATOM 0 HD2 ARG A 51 1.871 1.735 10.688 1.00 0.95 H new ATOM 0 HD3 ARG A 51 0.797 3.035 10.211 1.00 0.95 H new ATOM 0 HE ARG A 51 -1.044 1.136 10.460 1.00 1.47 H new ATOM 0 HH11 ARG A 51 1.866 1.551 12.427 1.00 1.94 H new ATOM 0 HH12 ARG A 51 1.113 0.905 13.889 1.00 1.94 H new ATOM 0 HH21 ARG A 51 -2.010 0.314 12.351 1.00 2.86 H new ATOM 0 HH22 ARG A 51 -1.074 0.207 13.846 1.00 2.86 H new ATOM 760 N LEU A 52 -2.874 1.435 6.305 1.00 0.32 N ATOM 761 CA LEU A 52 -3.915 1.900 5.401 1.00 0.31 C ATOM 762 C LEU A 52 -5.289 1.607 5.984 1.00 0.27 C ATOM 763 O LEU A 52 -6.179 2.463 5.969 1.00 0.30 O ATOM 764 CB LEU A 52 -3.770 1.228 4.033 1.00 0.35 C ATOM 765 CG LEU A 52 -2.442 1.490 3.321 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.351 0.672 2.046 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.286 2.970 3.012 1.00 0.56 C ATOM 0 H LEU A 52 -2.352 0.628 5.964 1.00 0.32 H new ATOM 0 HA LEU A 52 -3.809 2.978 5.275 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -3.891 0.152 4.159 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.582 1.567 3.390 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.632 1.188 3.985 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.400 0.871 1.553 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.419 -0.389 2.288 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.169 0.945 1.380 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.336 3.138 2.506 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.103 3.295 2.368 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.308 3.540 3.941 1.00 0.56 H new ATOM 779 N GLU A 53 -5.447 0.398 6.519 1.00 0.25 N ATOM 780 CA GLU A 53 -6.713 -0.025 7.108 1.00 0.26 C ATOM 781 C GLU A 53 -7.130 0.907 8.245 1.00 0.30 C ATOM 782 O GLU A 53 -8.259 1.388 8.277 1.00 0.36 O ATOM 783 CB GLU A 53 -6.617 -1.455 7.640 1.00 0.27 C ATOM 784 CG GLU A 53 -6.342 -2.501 6.575 1.00 0.32 C ATOM 785 CD GLU A 53 -6.286 -3.900 7.154 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.291 -4.222 7.834 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.250 -4.673 6.953 1.00 0.48 O ATOM 0 H GLU A 53 -4.711 -0.307 6.556 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.465 0.016 6.320 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.826 -1.499 8.389 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.549 -1.705 8.146 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.120 -2.455 5.813 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.397 -2.275 6.081 1.00 0.32 H new ATOM 794 N SER A 54 -6.203 1.176 9.159 1.00 0.36 N ATOM 795 CA SER A 54 -6.490 2.000 10.332 1.00 0.46 C ATOM 796 C SER A 54 -6.892 3.428 9.936 1.00 0.43 C ATOM 797 O SER A 54 -7.752 4.037 10.571 1.00 0.53 O ATOM 798 CB SER A 54 -5.263 2.050 11.245 1.00 0.59 C ATOM 799 OG SER A 54 -4.786 0.748 11.553 1.00 1.42 O ATOM 0 H SER A 54 -5.243 0.835 9.111 1.00 0.36 H new ATOM 0 HA SER A 54 -7.328 1.546 10.860 1.00 0.46 H new ATOM 0 HB2 SER A 54 -4.472 2.623 10.761 1.00 0.59 H new ATOM 0 HB3 SER A 54 -5.516 2.573 12.167 1.00 0.59 H new ATOM 0 HG SER A 54 -4.310 0.382 10.778 1.00 1.42 H new ATOM 805 N ARG A 55 -6.274 3.941 8.875 1.00 0.37 N ATOM 806 CA ARG A 55 -6.463 5.333 8.472 1.00 0.40 C ATOM 807 C ARG A 55 -7.817 5.545 7.790 1.00 0.40 C ATOM 808 O ARG A 55 -8.527 6.510 8.084 1.00 0.47 O ATOM 809 CB ARG A 55 -5.319 5.762 7.544 1.00 0.47 C ATOM 810 CG ARG A 55 -5.359 7.232 7.147 1.00 0.66 C ATOM 811 CD ARG A 55 -4.062 7.657 6.474 1.00 0.87 C ATOM 812 NE ARG A 55 -2.914 7.480 7.365 1.00 1.14 N ATOM 813 CZ ARG A 55 -1.640 7.607 6.994 1.00 1.64 C ATOM 814 NH1 ARG A 55 -1.330 8.016 5.771 1.00 1.89 N ATOM 815 NH2 ARG A 55 -0.673 7.367 7.869 1.00 2.42 N ATOM 0 H ARG A 55 -5.637 3.413 8.278 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.452 5.952 9.369 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.369 5.555 8.037 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.349 5.152 6.641 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.196 7.406 6.471 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -5.531 7.846 8.031 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -3.913 7.073 5.566 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -4.132 8.702 6.172 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.102 7.243 8.339 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -2.070 8.237 5.104 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -0.352 8.110 5.497 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -0.905 7.086 8.822 1.00 2.42 H new ATOM 0 HH22 ARG A 55 0.303 7.463 7.589 1.00 2.42 H new ATOM 829 N TYR A 56 -8.175 4.643 6.889 1.00 0.38 N ATOM 830 CA TYR A 56 -9.396 4.802 6.107 1.00 0.46 C ATOM 831 C TYR A 56 -10.553 3.991 6.681 1.00 0.51 C ATOM 832 O TYR A 56 -11.695 4.149 6.259 1.00 0.71 O ATOM 833 CB TYR A 56 -9.142 4.423 4.649 1.00 0.52 C ATOM 834 CG TYR A 56 -8.195 5.373 3.949 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.639 6.595 3.460 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.858 5.041 3.771 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.776 7.459 2.815 1.00 0.85 C ATOM 838 CE2 TYR A 56 -5.990 5.900 3.128 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.458 7.126 2.672 1.00 0.91 C ATOM 840 OH TYR A 56 -5.589 7.970 2.021 1.00 1.08 O ATOM 0 H TYR A 56 -7.643 3.798 6.680 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.685 5.852 6.156 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.732 3.414 4.608 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.091 4.404 4.113 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.675 6.874 3.586 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.492 4.095 4.142 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -8.142 8.397 2.424 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.957 5.622 2.981 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.679 8.876 2.385 1.00 1.08 H new ATOM 850 N GLY A 57 -10.262 3.140 7.655 1.00 0.41 N ATOM 851 CA GLY A 57 -11.300 2.330 8.265 1.00 0.46 C ATOM 852 C GLY A 57 -11.772 1.226 7.347 1.00 0.43 C ATOM 853 O GLY A 57 -12.972 0.969 7.232 1.00 0.58 O ATOM 0 H GLY A 57 -9.326 2.995 8.034 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -10.923 1.895 9.191 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.145 2.965 8.532 1.00 0.46 H new ATOM 857 N VAL A 58 -10.824 0.576 6.692 1.00 0.32 N ATOM 858 CA VAL A 58 -11.142 -0.484 5.749 1.00 0.33 C ATOM 859 C VAL A 58 -10.667 -1.837 6.271 1.00 0.33 C ATOM 860 O VAL A 58 -10.178 -1.941 7.396 1.00 0.34 O ATOM 861 CB VAL A 58 -10.517 -0.228 4.358 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.002 1.089 3.782 1.00 0.45 C ATOM 863 CG2 VAL A 58 -8.999 -0.235 4.435 1.00 0.30 C ATOM 0 H VAL A 58 -9.827 0.764 6.796 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.227 -0.493 5.643 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.835 -1.035 3.698 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.549 1.247 2.803 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.087 1.064 3.680 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.719 1.904 4.449 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.584 -0.053 3.444 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.666 0.547 5.118 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.658 -1.204 4.799 1.00 0.30 H new ATOM 873 N SER A 59 -10.811 -2.863 5.444 1.00 0.39 N ATOM 874 CA SER A 59 -10.358 -4.198 5.783 1.00 0.49 C ATOM 875 C SER A 59 -9.815 -4.881 4.534 1.00 0.48 C ATOM 876 O SER A 59 -10.548 -5.079 3.561 1.00 0.51 O ATOM 877 CB SER A 59 -11.520 -5.003 6.373 1.00 0.65 C ATOM 878 OG SER A 59 -12.106 -4.331 7.476 1.00 1.62 O ATOM 0 H SER A 59 -11.244 -2.791 4.523 1.00 0.39 H new ATOM 0 HA SER A 59 -9.563 -4.139 6.526 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.275 -5.172 5.605 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.162 -5.983 6.690 1.00 0.65 H new ATOM 0 HG SER A 59 -12.845 -4.868 7.831 1.00 1.62 H new ATOM 884 N ILE A 60 -8.537 -5.223 4.549 1.00 0.46 N ATOM 885 CA ILE A 60 -7.903 -5.839 3.388 1.00 0.46 C ATOM 886 C ILE A 60 -7.976 -7.363 3.473 1.00 0.54 C ATOM 887 O ILE A 60 -7.350 -7.979 4.334 1.00 0.60 O ATOM 888 CB ILE A 60 -6.427 -5.398 3.236 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.343 -3.874 3.102 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.787 -6.078 2.029 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.927 -3.347 3.013 1.00 0.45 C ATOM 0 H ILE A 60 -7.918 -5.086 5.348 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.453 -5.500 2.510 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.879 -5.700 4.128 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.892 -3.566 2.212 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.839 -3.415 3.958 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.750 -5.756 1.938 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.821 -7.160 2.160 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.332 -5.805 1.126 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.948 -2.261 2.920 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.379 -3.624 3.913 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.433 -3.776 2.141 1.00 0.45 H new ATOM 903 N PRO A 61 -8.759 -7.989 2.579 1.00 0.59 N ATOM 904 CA PRO A 61 -8.928 -9.444 2.554 1.00 0.69 C ATOM 905 C PRO A 61 -7.637 -10.153 2.174 1.00 0.62 C ATOM 906 O PRO A 61 -7.049 -9.863 1.129 1.00 0.57 O ATOM 907 CB PRO A 61 -10.000 -9.675 1.478 1.00 0.81 C ATOM 908 CG PRO A 61 -10.611 -8.339 1.232 1.00 0.79 C ATOM 909 CD PRO A 61 -9.536 -7.334 1.521 1.00 0.62 C ATOM 0 HA PRO A 61 -9.207 -9.838 3.531 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.560 -10.079 0.566 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.748 -10.392 1.817 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.959 -8.253 0.203 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.476 -8.181 1.876 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.928 -7.127 0.641 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.950 -6.382 1.853 1.00 0.62 H new ATOM 917 N ASP A 62 -7.209 -11.088 3.015 1.00 0.76 N ATOM 918 CA ASP A 62 -5.965 -11.823 2.793 1.00 0.82 C ATOM 919 C ASP A 62 -6.047 -12.692 1.539 1.00 0.67 C ATOM 920 O ASP A 62 -5.051 -13.273 1.109 1.00 0.77 O ATOM 921 CB ASP A 62 -5.596 -12.681 4.011 1.00 1.11 C ATOM 922 CG ASP A 62 -6.650 -13.714 4.354 1.00 1.39 C ATOM 923 OD1 ASP A 62 -7.764 -13.321 4.752 1.00 1.96 O ATOM 924 OD2 ASP A 62 -6.360 -14.925 4.238 1.00 1.99 O ATOM 0 H ASP A 62 -7.708 -11.358 3.863 1.00 0.76 H new ATOM 0 HA ASP A 62 -5.178 -11.083 2.645 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -4.650 -13.187 3.818 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -5.440 -12.031 4.872 1.00 1.11 H new ATOM 929 N ASP A 63 -7.237 -12.769 0.952 1.00 0.66 N ATOM 930 CA ASP A 63 -7.419 -13.437 -0.330 1.00 0.71 C ATOM 931 C ASP A 63 -6.874 -12.559 -1.446 1.00 0.58 C ATOM 932 O ASP A 63 -6.006 -12.972 -2.213 1.00 0.62 O ATOM 933 CB ASP A 63 -8.900 -13.704 -0.607 1.00 0.96 C ATOM 934 CG ASP A 63 -9.541 -14.649 0.386 1.00 1.67 C ATOM 935 OD1 ASP A 63 -9.902 -14.199 1.492 1.00 2.44 O ATOM 936 OD2 ASP A 63 -9.723 -15.839 0.048 1.00 2.03 O ATOM 0 H ASP A 63 -8.092 -12.375 1.346 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.885 -14.386 -0.292 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -9.440 -12.757 -0.595 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -9.005 -14.118 -1.610 1.00 0.96 H new ATOM 941 N VAL A 64 -7.375 -11.330 -1.514 1.00 0.57 N ATOM 942 CA VAL A 64 -6.982 -10.406 -2.569 1.00 0.58 C ATOM 943 C VAL A 64 -5.599 -9.824 -2.291 1.00 0.53 C ATOM 944 O VAL A 64 -4.915 -9.348 -3.198 1.00 0.59 O ATOM 945 CB VAL A 64 -7.992 -9.251 -2.737 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.776 -8.537 -4.066 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.424 -9.752 -2.624 1.00 1.14 C ATOM 0 H VAL A 64 -8.053 -10.952 -0.852 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.961 -10.981 -3.495 1.00 0.58 H new ATOM 0 HB VAL A 64 -7.822 -8.538 -1.930 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.498 -7.726 -4.165 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -6.766 -8.129 -4.100 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.910 -9.244 -4.885 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.113 -8.916 -2.746 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.612 -10.494 -3.400 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.575 -10.206 -1.644 1.00 1.14 H new ATOM 957 N ALA A 65 -5.187 -9.885 -1.031 1.00 0.52 N ATOM 958 CA ALA A 65 -3.868 -9.411 -0.626 1.00 0.58 C ATOM 959 C ALA A 65 -2.772 -10.188 -1.340 1.00 0.56 C ATOM 960 O ALA A 65 -1.689 -9.666 -1.595 1.00 0.68 O ATOM 961 CB ALA A 65 -3.706 -9.517 0.884 1.00 0.67 C ATOM 0 H ALA A 65 -5.750 -10.260 -0.268 1.00 0.52 H new ATOM 0 HA ALA A 65 -3.778 -8.362 -0.910 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -2.717 -9.160 1.170 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.467 -8.910 1.375 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.818 -10.557 1.190 1.00 0.67 H new ATOM 967 N GLY A 66 -3.073 -11.430 -1.685 1.00 0.50 N ATOM 968 CA GLY A 66 -2.114 -12.253 -2.391 1.00 0.56 C ATOM 969 C GLY A 66 -2.358 -12.253 -3.886 1.00 0.58 C ATOM 970 O GLY A 66 -1.809 -13.082 -4.610 1.00 0.77 O ATOM 0 H GLY A 66 -3.965 -11.883 -1.489 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -1.106 -11.890 -2.188 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -2.167 -13.275 -2.015 1.00 0.56 H new ATOM 974 N ARG A 67 -3.197 -11.335 -4.347 1.00 0.55 N ATOM 975 CA ARG A 67 -3.506 -11.229 -5.766 1.00 0.63 C ATOM 976 C ARG A 67 -2.850 -9.991 -6.372 1.00 0.58 C ATOM 977 O ARG A 67 -2.900 -9.776 -7.585 1.00 0.78 O ATOM 978 CB ARG A 67 -5.024 -11.183 -5.984 1.00 0.77 C ATOM 979 CG ARG A 67 -5.746 -12.442 -5.526 1.00 0.93 C ATOM 980 CD ARG A 67 -7.250 -12.346 -5.743 1.00 1.10 C ATOM 981 NE ARG A 67 -7.588 -12.091 -7.144 1.00 1.82 N ATOM 982 CZ ARG A 67 -8.771 -11.644 -7.559 1.00 2.63 C ATOM 983 NH1 ARG A 67 -9.770 -11.482 -6.702 1.00 2.86 N ATOM 984 NH2 ARG A 67 -8.961 -11.389 -8.848 1.00 3.63 N ATOM 0 H ARG A 67 -3.676 -10.653 -3.759 1.00 0.55 H new ATOM 0 HA ARG A 67 -3.107 -12.111 -6.266 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -5.433 -10.325 -5.450 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -5.225 -11.024 -7.043 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -5.355 -13.302 -6.069 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -5.542 -12.613 -4.469 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -7.723 -13.273 -5.419 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -7.655 -11.548 -5.121 1.00 1.10 H new ATOM 0 HE ARG A 67 -6.871 -12.267 -7.848 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -9.636 -11.701 -5.715 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -10.673 -11.139 -7.030 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -8.203 -11.536 -9.514 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -9.865 -11.046 -9.172 1.00 3.63 H new ATOM 998 N VAL A 68 -2.242 -9.172 -5.522 1.00 0.50 N ATOM 999 CA VAL A 68 -1.573 -7.959 -5.979 1.00 0.48 C ATOM 1000 C VAL A 68 -0.069 -8.176 -6.091 1.00 0.54 C ATOM 1001 O VAL A 68 0.458 -9.177 -5.606 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.849 -6.758 -5.045 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.336 -6.445 -4.999 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.315 -7.025 -3.643 1.00 0.89 C ATOM 0 H VAL A 68 -2.198 -9.325 -4.514 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.981 -7.729 -6.963 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.327 -5.890 -5.448 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.509 -5.597 -4.336 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.687 -6.200 -6.001 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.879 -7.313 -4.626 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.521 -6.166 -3.005 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.802 -7.908 -3.230 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.239 -7.192 -3.689 1.00 0.89 H new ATOM 1014 N ASP A 69 0.611 -7.239 -6.732 1.00 0.38 N ATOM 1015 CA ASP A 69 2.063 -7.297 -6.866 1.00 0.43 C ATOM 1016 C ASP A 69 2.629 -5.879 -6.885 1.00 0.34 C ATOM 1017 O ASP A 69 3.694 -5.607 -6.330 1.00 0.41 O ATOM 1018 CB ASP A 69 2.450 -8.046 -8.151 1.00 0.65 C ATOM 1019 CG ASP A 69 3.935 -8.371 -8.247 1.00 0.97 C ATOM 1020 OD1 ASP A 69 4.665 -8.122 -7.258 1.00 1.75 O ATOM 1021 OD2 ASP A 69 4.386 -8.848 -9.307 1.00 1.65 O ATOM 0 H ASP A 69 0.181 -6.425 -7.170 1.00 0.38 H new ATOM 0 HA ASP A 69 2.481 -7.837 -6.017 1.00 0.43 H new ATOM 0 HB2 ASP A 69 1.880 -8.973 -8.206 1.00 0.65 H new ATOM 0 HB3 ASP A 69 2.163 -7.444 -9.013 1.00 0.65 H new ATOM 1026 N THR A 70 1.899 -4.975 -7.519 1.00 0.34 N ATOM 1027 CA THR A 70 2.293 -3.577 -7.571 1.00 0.31 C ATOM 1028 C THR A 70 1.319 -2.708 -6.774 1.00 0.28 C ATOM 1029 O THR A 70 0.129 -3.026 -6.677 1.00 0.28 O ATOM 1030 CB THR A 70 2.358 -3.075 -9.031 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.134 -3.383 -9.712 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.528 -3.703 -9.774 1.00 0.44 C ATOM 0 H THR A 70 1.028 -5.186 -8.006 1.00 0.34 H new ATOM 0 HA THR A 70 3.285 -3.498 -7.127 1.00 0.31 H new ATOM 0 HB THR A 70 2.502 -1.995 -9.010 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.891 -4.317 -9.541 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.550 -3.332 -10.799 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.460 -3.441 -9.273 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.414 -4.787 -9.783 1.00 0.44 H new ATOM 1040 N PRO A 71 1.816 -1.605 -6.175 1.00 0.29 N ATOM 1041 CA PRO A 71 0.980 -0.643 -5.443 1.00 0.29 C ATOM 1042 C PRO A 71 -0.155 -0.102 -6.304 1.00 0.27 C ATOM 1043 O PRO A 71 -1.217 0.259 -5.797 1.00 0.28 O ATOM 1044 CB PRO A 71 1.958 0.479 -5.074 1.00 0.34 C ATOM 1045 CG PRO A 71 3.299 -0.165 -5.089 1.00 0.38 C ATOM 1046 CD PRO A 71 3.239 -1.228 -6.144 1.00 0.35 C ATOM 0 HA PRO A 71 0.495 -1.097 -4.579 1.00 0.29 H new ATOM 0 HB2 PRO A 71 1.906 1.300 -5.789 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.730 0.895 -4.093 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.078 0.563 -5.314 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.536 -0.595 -4.116 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.576 -0.853 -7.111 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.874 -2.078 -5.893 1.00 0.35 H new ATOM 1054 N ARG A 72 0.084 -0.050 -7.610 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.924 0.358 -8.578 1.00 0.37 C ATOM 1056 C ARG A 72 -2.196 -0.470 -8.395 1.00 0.35 C ATOM 1057 O ARG A 72 -3.299 0.076 -8.326 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.364 0.184 -9.996 1.00 0.49 C ATOM 1059 CG ARG A 72 -0.674 1.336 -10.947 1.00 0.83 C ATOM 1060 CD ARG A 72 -1.988 1.147 -11.691 1.00 1.15 C ATOM 1061 NE ARG A 72 -3.160 1.363 -10.843 1.00 1.76 N ATOM 1062 CZ ARG A 72 -4.395 1.538 -11.317 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -4.618 1.526 -12.625 1.00 3.22 N ATOM 1064 NH2 ARG A 72 -5.408 1.726 -10.481 1.00 3.56 N ATOM 0 H ARG A 72 0.984 -0.290 -8.026 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.177 1.407 -8.422 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.717 0.063 -9.933 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.764 -0.737 -10.420 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -0.712 2.268 -10.382 1.00 0.83 H new ATOM 0 HG3 ARG A 72 0.137 1.434 -11.669 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -2.024 1.837 -12.534 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -2.025 0.138 -12.102 1.00 1.15 H new ATOM 0 HE ARG A 72 -3.026 1.381 -9.832 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -3.844 1.383 -13.273 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -5.564 1.660 -12.982 1.00 3.22 H new ATOM 0 HH21 ARG A 72 -5.243 1.737 -9.474 1.00 3.56 H new ATOM 0 HH22 ARG A 72 -6.351 1.860 -10.845 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.021 -1.785 -8.295 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.135 -2.710 -8.103 1.00 0.39 C ATOM 1080 C GLU A 73 -3.752 -2.540 -6.721 1.00 0.36 C ATOM 1081 O GLU A 73 -4.972 -2.486 -6.579 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.649 -4.149 -8.273 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.970 -4.408 -9.604 1.00 0.56 C ATOM 1084 CD GLU A 73 -1.288 -5.755 -9.648 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -0.134 -5.851 -9.178 1.00 2.43 O ATOM 1086 OE2 GLU A 73 -1.902 -6.720 -10.152 1.00 1.91 O ATOM 0 H GLU A 73 -1.108 -2.238 -8.344 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.896 -2.489 -8.852 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.954 -4.386 -7.468 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.498 -4.825 -8.170 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -2.709 -4.351 -10.403 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.235 -3.625 -9.793 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.893 -2.446 -5.709 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.331 -2.311 -4.320 1.00 0.34 C ATOM 1095 C LEU A 74 -4.224 -1.081 -4.168 1.00 0.33 C ATOM 1096 O LEU A 74 -5.281 -1.136 -3.537 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.098 -2.221 -3.401 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.329 -2.546 -1.918 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -3.088 -1.432 -1.218 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.066 -3.870 -1.774 1.00 0.98 C ATOM 0 H LEU A 74 -1.880 -2.461 -5.826 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.915 -3.185 -4.033 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.335 -2.898 -3.785 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.692 -1.212 -3.471 1.00 0.34 H new ATOM 0 HG LEU A 74 -1.354 -2.634 -1.438 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -3.235 -1.694 -0.170 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -2.517 -0.506 -1.284 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -4.058 -1.296 -1.697 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.222 -4.086 -0.717 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -4.031 -3.806 -2.278 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -2.474 -4.667 -2.224 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.786 0.019 -4.766 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.548 1.261 -4.764 1.00 0.33 C ATOM 1114 C LEU A 75 -5.936 1.051 -5.362 1.00 0.35 C ATOM 1115 O LEU A 75 -6.940 1.490 -4.802 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.791 2.325 -5.566 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.472 3.690 -5.669 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.522 4.368 -4.309 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.751 4.563 -6.686 1.00 0.91 C ATOM 0 H LEU A 75 -2.897 0.076 -5.264 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.669 1.594 -3.733 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.809 2.463 -5.114 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.627 1.945 -6.574 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.497 3.543 -6.009 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -5.010 5.338 -4.404 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -5.084 3.745 -3.613 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -3.508 4.507 -3.934 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -4.246 5.532 -6.750 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.716 4.704 -6.375 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.774 4.079 -7.662 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.984 0.356 -6.494 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.230 0.168 -7.230 1.00 0.44 C ATOM 1133 C ASP A 76 -8.180 -0.752 -6.467 1.00 0.40 C ATOM 1134 O ASP A 76 -9.400 -0.668 -6.607 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.933 -0.410 -8.613 1.00 0.55 C ATOM 1136 CG ASP A 76 -8.071 -0.204 -9.592 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.137 0.885 -10.203 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.895 -1.126 -9.764 1.00 1.43 O ATOM 0 H ASP A 76 -5.172 -0.088 -6.923 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.715 1.138 -7.343 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.030 0.054 -9.010 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.728 -1.477 -8.520 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.606 -1.628 -5.654 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.383 -2.532 -4.813 1.00 0.38 C ATOM 1145 C LEU A 77 -9.177 -1.756 -3.770 1.00 0.34 C ATOM 1146 O LEU A 77 -10.407 -1.826 -3.732 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.457 -3.537 -4.115 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.134 -4.463 -3.099 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -9.183 -5.339 -3.771 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -7.096 -5.318 -2.385 1.00 1.66 C ATOM 0 H LEU A 77 -6.596 -1.733 -5.558 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.082 -3.071 -5.453 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.977 -4.151 -4.877 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.667 -2.984 -3.606 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.640 -3.843 -2.359 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.648 -5.986 -3.027 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -9.945 -4.708 -4.229 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.709 -5.951 -4.538 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.593 -5.970 -1.667 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.560 -5.924 -3.115 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.391 -4.673 -1.861 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.469 -1.010 -2.935 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.101 -0.301 -1.830 1.00 0.31 C ATOM 1164 C ILE A 78 -10.005 0.823 -2.347 1.00 0.34 C ATOM 1165 O ILE A 78 -11.145 0.971 -1.895 1.00 0.41 O ATOM 1166 CB ILE A 78 -8.045 0.264 -0.853 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.151 -0.872 -0.335 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.723 0.985 0.306 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -6.107 -0.427 0.670 1.00 0.40 C ATOM 0 H ILE A 78 -7.459 -0.879 -3.000 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.718 -1.018 -1.288 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.423 0.985 -1.384 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.780 -1.635 0.124 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.649 -1.340 -1.182 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.965 1.377 0.984 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.325 1.808 -0.080 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.365 0.287 0.843 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.517 -1.287 0.987 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.452 0.313 0.210 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.600 0.014 1.536 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.505 1.595 -3.308 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.279 2.687 -3.898 1.00 0.44 C ATOM 1183 C ASN A 79 -11.535 2.158 -4.583 1.00 0.44 C ATOM 1184 O ASN A 79 -12.587 2.789 -4.521 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.438 3.488 -4.900 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.398 4.358 -4.221 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.923 4.037 -3.136 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.056 5.479 -4.837 1.00 0.78 N ATOM 0 H ASN A 79 -8.568 1.486 -3.696 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.574 3.351 -3.086 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -8.941 2.800 -5.584 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.096 4.116 -5.501 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.377 6.109 -4.410 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -8.472 5.713 -5.738 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.419 0.988 -5.210 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.552 0.387 -5.894 1.00 0.47 C ATOM 1197 C GLY A 80 -13.701 0.082 -4.952 1.00 0.48 C ATOM 1198 O GLY A 80 -14.868 0.213 -5.321 1.00 0.54 O ATOM 0 H GLY A 80 -10.557 0.445 -5.256 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -12.898 1.060 -6.679 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.232 -0.534 -6.382 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.369 -0.319 -3.734 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.375 -0.620 -2.723 1.00 0.56 C ATOM 1204 C ALA A 81 -15.014 0.661 -2.194 1.00 0.61 C ATOM 1205 O ALA A 81 -16.235 0.753 -2.076 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.749 -1.407 -1.582 1.00 0.60 C ATOM 0 H ALA A 81 -12.407 -0.444 -3.420 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.156 -1.224 -3.184 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.509 -1.627 -0.832 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.338 -2.340 -1.966 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.951 -0.819 -1.129 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.181 1.653 -1.897 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.646 2.910 -1.313 1.00 0.64 C ATOM 1214 C LEU A 82 -15.481 3.719 -2.303 1.00 0.70 C ATOM 1215 O LEU A 82 -16.364 4.474 -1.903 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.453 3.743 -0.841 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.600 3.100 0.252 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.364 3.945 0.523 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.414 2.924 1.525 1.00 0.85 C ATOM 0 H LEU A 82 -13.174 1.612 -2.052 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.281 2.663 -0.462 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.816 3.954 -1.700 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.822 4.701 -0.475 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.279 2.116 -0.091 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.766 3.475 1.304 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.772 4.026 -0.388 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.668 4.940 0.848 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.792 2.465 2.294 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.761 3.897 1.872 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -14.273 2.284 1.322 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.204 3.547 -3.592 1.00 0.63 N ATOM 1232 CA ALA A 83 -15.899 4.293 -4.647 1.00 0.71 C ATOM 1233 C ALA A 83 -17.372 3.895 -4.762 1.00 0.85 C ATOM 1234 O ALA A 83 -18.124 4.492 -5.537 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.199 4.099 -5.984 1.00 0.70 C ATOM 0 H ALA A 83 -14.500 2.895 -3.937 1.00 0.63 H new ATOM 0 HA ALA A 83 -15.865 5.347 -4.371 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -15.727 4.659 -6.756 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.173 4.459 -5.913 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.195 3.040 -6.242 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.779 2.884 -4.006 1.00 0.89 N ATOM 1242 CA GLU A 84 -19.169 2.449 -4.007 1.00 1.11 C ATOM 1243 C GLU A 84 -19.997 3.342 -3.082 1.00 1.29 C ATOM 1244 O GLU A 84 -21.229 3.341 -3.130 1.00 1.58 O ATOM 1245 CB GLU A 84 -19.266 0.981 -3.576 1.00 1.25 C ATOM 1246 CG GLU A 84 -20.645 0.374 -3.776 1.00 1.81 C ATOM 1247 CD GLU A 84 -20.706 -1.083 -3.381 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -20.432 -1.951 -4.238 1.00 2.39 O ATOM 1249 OE2 GLU A 84 -21.026 -1.372 -2.210 1.00 2.67 O ATOM 0 H GLU A 84 -17.169 2.351 -3.386 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.568 2.534 -5.018 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -18.537 0.398 -4.139 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -18.993 0.902 -2.524 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -21.373 0.935 -3.190 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -20.933 0.474 -4.822 1.00 1.81 H new ATOM 1256 N ALA A 85 -19.313 4.124 -2.255 1.00 1.27 N ATOM 1257 CA ALA A 85 -19.982 5.039 -1.340 1.00 1.57 C ATOM 1258 C ALA A 85 -19.781 6.482 -1.791 1.00 1.83 C ATOM 1259 O ALA A 85 -18.958 6.758 -2.663 1.00 2.45 O ATOM 1260 CB ALA A 85 -19.468 4.841 0.080 1.00 1.74 C ATOM 0 H ALA A 85 -18.295 4.142 -2.200 1.00 1.27 H new ATOM 0 HA ALA A 85 -21.050 4.823 -1.350 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -19.978 5.532 0.751 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -19.662 3.817 0.398 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -18.395 5.032 0.109 1.00 1.74 H new ATOM 1266 N ALA A 86 -20.538 7.395 -1.204 1.00 2.09 N ATOM 1267 CA ALA A 86 -20.453 8.803 -1.560 1.00 2.63 C ATOM 1268 C ALA A 86 -19.507 9.538 -0.619 1.00 3.28 C ATOM 1269 O ALA A 86 -19.772 9.541 0.598 1.00 3.73 O ATOM 1270 CB ALA A 86 -21.833 9.442 -1.535 1.00 3.12 C ATOM 1271 OXT ALA A 86 -18.504 10.112 -1.096 1.00 3.82 O ATOM 0 H ALA A 86 -21.221 7.185 -0.476 1.00 2.09 H new ATOM 0 HA ALA A 86 -20.056 8.878 -2.572 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -21.751 10.495 -1.804 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -22.482 8.935 -2.249 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -22.256 9.355 -0.534 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 8.664 -13.044 5.420 1.00 1.12 P HETATM 1279 O26 SXO A 87 9.317 -12.774 6.801 1.00 1.48 O HETATM 1280 O23 SXO A 87 9.360 -14.041 4.457 1.00 1.45 O HETATM 1281 O27 SXO A 87 7.204 -13.557 5.675 1.00 1.11 O HETATM 1282 C28 SXO A 87 6.311 -12.707 6.464 1.00 1.02 C HETATM 1283 C29 SXO A 87 4.944 -13.365 6.665 1.00 1.15 C HETATM 1284 C30 SXO A 87 4.013 -12.275 7.152 1.00 1.14 C HETATM 1285 C31 SXO A 87 4.429 -13.937 5.344 1.00 1.22 C HETATM 1286 C32 SXO A 87 5.053 -14.513 7.719 1.00 1.49 C HETATM 1287 O33 SXO A 87 6.008 -15.489 7.291 1.00 1.65 O HETATM 1288 C34 SXO A 87 3.706 -15.208 7.911 1.00 1.70 C HETATM 1289 O35 SXO A 87 3.512 -16.325 7.425 1.00 1.95 O HETATM 1290 N36 SXO A 87 2.797 -14.562 8.629 1.00 1.69 N HETATM 1291 C37 SXO A 87 1.461 -15.075 8.921 1.00 1.95 C HETATM 1292 C38 SXO A 87 0.376 -14.053 8.606 1.00 1.97 C HETATM 1293 C39 SXO A 87 0.024 -14.016 7.128 1.00 1.75 C HETATM 1294 O40 SXO A 87 -0.298 -15.035 6.518 1.00 2.21 O HETATM 1295 N41 SXO A 87 0.064 -12.810 6.568 1.00 1.79 N HETATM 1296 C42 SXO A 87 -0.250 -12.570 5.162 1.00 1.94 C HETATM 1297 C43 SXO A 87 0.479 -11.365 4.597 1.00 1.99 C HETATM 1298 S1 SXO A 87 -0.056 -11.065 2.979 1.00 1.96 S HETATM 1299 C1 SXO A 87 0.964 -9.707 2.599 1.00 1.93 C HETATM 1300 O1 SXO A 87 1.947 -9.360 3.258 1.00 2.52 O HETATM 1301 C2 SXO A 87 0.536 -8.954 1.356 1.00 2.08 C HETATM 1302 C3 SXO A 87 0.048 -7.545 1.657 1.00 1.81 C HETATM 1303 C4 SXO A 87 -0.537 -6.887 0.417 1.00 1.94 C HETATM 1304 C5 SXO A 87 -0.953 -5.449 0.682 1.00 1.78 C HETATM 1305 C6 SXO A 87 0.250 -4.551 0.935 1.00 1.64 C HETATM 1306 C7 SXO A 87 -0.166 -3.104 1.146 1.00 1.79 C HETATM 1307 C8 SXO A 87 1.053 -2.241 1.364 1.00 1.84 C HETATM 0 HO33 SXO A 87 6.649 -15.072 6.678 1.00 1.65 H new HETATM 0 HN41 SXO A 87 0.327 -12.014 7.149 1.00 1.79 H new HETATM 0 HN36 SXO A 87 3.048 -13.646 9.002 1.00 1.69 H new HETATM 0 H43A SXO A 87 0.293 -10.490 5.220 1.00 1.99 H new HETATM 0 H42A SXO A 87 0.011 -13.454 4.580 1.00 1.94 H new HETATM 0 H38A SXO A 87 -0.518 -14.287 9.184 1.00 1.97 H new HETATM 0 H37A SXO A 87 1.286 -15.981 8.340 1.00 1.95 H new HETATM 0 H31B SXO A 87 4.332 -13.134 4.613 1.00 1.22 H new HETATM 0 H31A SXO A 87 5.131 -14.684 4.972 1.00 1.22 H new HETATM 0 H30B SXO A 87 4.391 -11.866 8.089 1.00 1.14 H new HETATM 0 H30A SXO A 87 3.959 -11.483 6.406 1.00 1.14 H new HETATM 0 H28A SXO A 87 6.764 -12.503 7.434 1.00 1.02 H new HETATM 0 H8B SXO A 87 1.593 -2.590 2.244 1.00 1.84 H new HETATM 0 H8A SXO A 87 1.703 -2.303 0.491 1.00 1.84 H new HETATM 0 H8 SXO A 87 0.744 -1.206 1.514 1.00 1.84 H new HETATM 0 H7A SXO A 87 -0.723 -2.748 0.280 1.00 1.79 H new HETATM 0 H7 SXO A 87 -0.832 -3.030 2.006 1.00 1.79 H new HETATM 0 H6A SXO A 87 0.792 -4.906 1.812 1.00 1.64 H new HETATM 0 H6 SXO A 87 0.936 -4.614 0.090 1.00 1.64 H new HETATM 0 H5A SXO A 87 -1.516 -5.070 -0.171 1.00 1.78 H new HETATM 0 H5 SXO A 87 -1.619 -5.416 1.544 1.00 1.78 H new HETATM 0 H4A SXO A 87 0.198 -6.910 -0.387 1.00 1.94 H new HETATM 0 H43 SXO A 87 1.555 -11.541 4.608 1.00 1.99 H new HETATM 0 H42 SXO A 87 -1.325 -12.423 5.054 1.00 1.94 H new HETATM 0 H4 SXO A 87 -1.401 -7.458 0.076 1.00 1.94 H new HETATM 0 H3A SXO A 87 -0.706 -7.579 2.443 1.00 1.81 H new HETATM 0 H38 SXO A 87 0.710 -13.064 8.922 1.00 1.97 H new HETATM 0 H37 SXO A 87 1.402 -15.354 9.973 1.00 1.95 H new HETATM 0 H32 SXO A 87 5.369 -14.066 8.662 1.00 1.49 H new HETATM 0 H31 SXO A 87 3.456 -14.402 5.503 1.00 1.22 H new HETATM 0 H30 SXO A 87 3.018 -12.691 7.313 1.00 1.14 H new HETATM 0 H3 SXO A 87 0.875 -6.944 2.034 1.00 1.81 H new HETATM 0 H2A SXO A 87 1.375 -8.902 0.662 1.00 2.08 H new HETATM 0 H28 SXO A 87 6.184 -11.747 5.963 1.00 1.02 H new HETATM 0 H2 SXO A 87 -0.258 -9.509 0.856 1.00 2.08 H new