USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 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 98:sc= 2.04 USER MOD Set 1.2: A 48 THR OG1 : rot 71:sc= 0.9 USER MOD Set 2.1: A 21 THR OG1 : rot 151:sc= 1.12 USER MOD Set 2.2: A 40 TYR OH : rot 79:sc= -0.334 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0278 (180deg=-0.282) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.22 (180deg=1) USER MOD Single : A 3 THR OG1 : rot 42:sc= 0.488 USER MOD Single : A 6 THR OG1 : rot -65:sc= 1.18 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0658 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 27 SER OG : rot 52:sc= 0.171 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 157:sc= -0.121 (180deg=-0.712) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 79 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.947 11.492 -4.346 1.00 5.55 N ATOM 2 CA MET A 1 -6.388 11.307 -4.535 1.00 4.81 C ATOM 3 C MET A 1 -7.084 11.500 -3.208 1.00 4.08 C ATOM 4 O MET A 1 -6.458 11.343 -2.150 1.00 4.33 O ATOM 5 CB MET A 1 -6.692 9.888 -5.054 1.00 5.00 C ATOM 6 CG MET A 1 -6.007 9.530 -6.363 1.00 5.78 C ATOM 7 SD MET A 1 -6.514 10.563 -7.750 1.00 6.34 S ATOM 8 CE MET A 1 -8.225 10.072 -7.940 1.00 6.63 C ATOM 0 H1 MET A 1 -4.475 11.513 -5.273 1.00 5.55 H new ATOM 0 H2 MET A 1 -4.774 12.389 -3.849 1.00 5.55 H new ATOM 0 H3 MET A 1 -4.567 10.705 -3.782 1.00 5.55 H new ATOM 0 HA MET A 1 -6.743 12.034 -5.266 1.00 4.81 H new ATOM 0 HB2 MET A 1 -6.393 9.166 -4.294 1.00 5.00 H new ATOM 0 HB3 MET A 1 -7.769 9.786 -5.184 1.00 5.00 H new ATOM 0 HG2 MET A 1 -4.928 9.614 -6.234 1.00 5.78 H new ATOM 0 HG3 MET A 1 -6.219 8.488 -6.601 1.00 5.78 H new ATOM 0 HE1 MET A 1 -8.597 10.414 -8.906 1.00 6.63 H new ATOM 0 HE2 MET A 1 -8.300 8.986 -7.887 1.00 6.63 H new ATOM 0 HE3 MET A 1 -8.822 10.516 -7.143 1.00 6.63 H new ATOM 20 N ALA A 2 -8.358 11.867 -3.256 1.00 3.63 N ATOM 21 CA ALA A 2 -9.158 12.030 -2.060 1.00 3.34 C ATOM 22 C ALA A 2 -9.487 10.666 -1.490 1.00 2.29 C ATOM 23 O ALA A 2 -9.002 10.302 -0.420 1.00 2.60 O ATOM 24 CB ALA A 2 -10.426 12.820 -2.352 1.00 4.09 C ATOM 0 H ALA A 2 -8.860 12.058 -4.123 1.00 3.63 H new ATOM 0 HA ALA A 2 -8.587 12.597 -1.324 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -11.007 12.927 -1.436 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -10.161 13.807 -2.731 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -11.020 12.292 -3.099 1.00 4.09 H new ATOM 30 N THR A 3 -10.288 9.893 -2.200 1.00 1.66 N ATOM 31 CA THR A 3 -10.560 8.555 -1.761 1.00 1.24 C ATOM 32 C THR A 3 -10.298 7.608 -2.876 1.00 1.06 C ATOM 33 O THR A 3 -11.106 7.469 -3.804 1.00 1.81 O ATOM 34 CB THR A 3 -12.024 8.425 -1.279 1.00 2.06 C ATOM 35 OG1 THR A 3 -12.916 8.940 -2.289 1.00 2.62 O ATOM 36 CG2 THR A 3 -12.244 9.177 0.022 1.00 2.77 C ATOM 0 H THR A 3 -10.750 10.170 -3.066 1.00 1.66 H new ATOM 0 HA THR A 3 -9.906 8.317 -0.922 1.00 1.24 H new ATOM 0 HB THR A 3 -12.231 7.369 -1.104 1.00 2.06 H new ATOM 0 HG1 THR A 3 -12.616 8.642 -3.173 1.00 2.62 H new ATOM 0 HG21 THR A 3 -13.282 9.067 0.335 1.00 2.77 H new ATOM 0 HG22 THR A 3 -11.588 8.771 0.792 1.00 2.77 H new ATOM 0 HG23 THR A 3 -12.020 10.233 -0.126 1.00 2.77 H new ATOM 44 N LEU A 4 -9.157 6.978 -2.739 1.00 0.89 N ATOM 45 CA LEU A 4 -8.602 5.979 -3.579 1.00 0.69 C ATOM 46 C LEU A 4 -7.123 6.149 -3.400 1.00 0.63 C ATOM 47 O LEU A 4 -6.682 7.225 -2.996 1.00 0.87 O ATOM 48 CB LEU A 4 -8.875 6.208 -5.056 1.00 0.83 C ATOM 49 CG LEU A 4 -8.480 5.063 -5.924 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.429 3.890 -5.740 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.321 5.464 -7.371 1.00 1.51 C ATOM 0 H LEU A 4 -8.542 7.184 -1.952 1.00 0.89 H new ATOM 0 HA LEU A 4 -9.019 5.007 -3.317 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -9.938 6.406 -5.193 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.340 7.100 -5.381 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.492 4.733 -5.603 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.119 3.067 -6.384 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.408 3.564 -4.700 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.441 4.196 -6.004 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.033 4.593 -7.960 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.266 5.859 -7.745 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -7.550 6.230 -7.454 1.00 1.51 H new ATOM 63 N LEU A 5 -6.382 5.146 -3.652 1.00 0.49 N ATOM 64 CA LEU A 5 -4.982 5.252 -3.635 1.00 0.44 C ATOM 65 C LEU A 5 -4.477 4.958 -5.007 1.00 0.39 C ATOM 66 O LEU A 5 -4.828 3.926 -5.577 1.00 0.42 O ATOM 67 CB LEU A 5 -4.400 4.238 -2.684 1.00 0.47 C ATOM 68 CG LEU A 5 -4.801 4.357 -1.230 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.199 3.220 -0.467 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.340 5.683 -0.644 1.00 0.79 C ATOM 0 H LEU A 5 -6.735 4.216 -3.879 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.694 6.254 -3.316 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -4.681 3.244 -3.033 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.313 4.302 -2.743 1.00 0.47 H new ATOM 0 HG LEU A 5 -5.888 4.320 -1.156 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -4.482 3.296 0.583 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -4.563 2.276 -0.873 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.113 3.258 -0.554 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -4.641 5.743 0.402 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.255 5.754 -0.714 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -4.794 6.504 -1.200 1.00 0.79 H new ATOM 82 N THR A 6 -3.737 5.856 -5.571 1.00 0.38 N ATOM 83 CA THR A 6 -3.060 5.550 -6.777 1.00 0.40 C ATOM 84 C THR A 6 -1.633 5.166 -6.425 1.00 0.34 C ATOM 85 O THR A 6 -1.316 5.030 -5.223 1.00 0.30 O ATOM 86 CB THR A 6 -3.123 6.686 -7.846 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.637 7.939 -7.320 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.542 6.862 -8.362 1.00 0.63 C ATOM 0 H THR A 6 -3.590 6.800 -5.215 1.00 0.38 H new ATOM 0 HA THR A 6 -3.569 4.715 -7.258 1.00 0.40 H new ATOM 0 HB THR A 6 -2.476 6.388 -8.671 1.00 0.51 H new ATOM 0 HG1 THR A 6 -3.229 8.243 -6.600 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.563 7.659 -9.106 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.882 5.932 -8.817 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.201 7.122 -7.533 1.00 0.63 H new ATOM 96 N THR A 7 -0.794 5.014 -7.409 1.00 0.37 N ATOM 97 CA THR A 7 0.578 4.599 -7.240 1.00 0.37 C ATOM 98 C THR A 7 1.310 5.478 -6.201 1.00 0.35 C ATOM 99 O THR A 7 1.814 4.969 -5.191 1.00 0.34 O ATOM 100 CB THR A 7 1.241 4.713 -8.608 1.00 0.48 C ATOM 101 OG1 THR A 7 0.296 4.204 -9.576 1.00 0.61 O ATOM 102 CG2 THR A 7 2.508 3.870 -8.664 1.00 0.56 C ATOM 0 H THR A 7 -1.049 5.179 -8.383 1.00 0.37 H new ATOM 0 HA THR A 7 0.624 3.577 -6.864 1.00 0.37 H new ATOM 0 HB THR A 7 1.512 5.749 -8.810 1.00 0.48 H new ATOM 0 HG1 THR A 7 0.685 4.261 -10.474 1.00 0.61 H new ATOM 0 HG21 THR A 7 2.965 3.966 -9.649 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.208 4.215 -7.903 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.258 2.825 -8.480 1.00 0.56 H new ATOM 110 N ASP A 8 1.296 6.787 -6.411 1.00 0.43 N ATOM 111 CA ASP A 8 1.981 7.714 -5.508 1.00 0.50 C ATOM 112 C ASP A 8 1.270 7.860 -4.160 1.00 0.44 C ATOM 113 O ASP A 8 1.918 8.116 -3.136 1.00 0.46 O ATOM 114 CB ASP A 8 2.202 9.077 -6.166 1.00 0.67 C ATOM 115 CG ASP A 8 2.879 10.081 -5.251 1.00 1.08 C ATOM 116 OD1 ASP A 8 4.097 9.947 -4.992 1.00 1.26 O ATOM 117 OD2 ASP A 8 2.208 11.026 -4.788 1.00 1.65 O ATOM 0 H ASP A 8 0.821 7.234 -7.195 1.00 0.43 H new ATOM 0 HA ASP A 8 2.958 7.276 -5.302 1.00 0.50 H new ATOM 0 HB2 ASP A 8 2.808 8.946 -7.063 1.00 0.67 H new ATOM 0 HB3 ASP A 8 1.241 9.478 -6.487 1.00 0.67 H new ATOM 122 N ASP A 9 -0.055 7.667 -4.129 1.00 0.42 N ATOM 123 CA ASP A 9 -0.796 7.754 -2.840 1.00 0.42 C ATOM 124 C ASP A 9 -0.342 6.640 -1.954 1.00 0.40 C ATOM 125 O ASP A 9 -0.039 6.841 -0.768 1.00 0.45 O ATOM 126 CB ASP A 9 -2.327 7.631 -2.981 1.00 0.46 C ATOM 127 CG ASP A 9 -2.993 8.717 -3.763 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.153 9.810 -3.225 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.372 8.503 -4.931 1.00 1.41 O ATOM 0 H ASP A 9 -0.630 7.456 -4.945 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.582 8.742 -2.433 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.555 6.676 -3.454 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.765 7.605 -1.983 1.00 0.46 H new ATOM 134 N LEU A 10 -0.251 5.463 -2.551 1.00 0.37 N ATOM 135 CA LEU A 10 0.178 4.285 -1.854 1.00 0.36 C ATOM 136 C LEU A 10 1.627 4.458 -1.444 1.00 0.36 C ATOM 137 O LEU A 10 1.982 4.225 -0.292 1.00 0.41 O ATOM 138 CB LEU A 10 0.037 3.062 -2.756 1.00 0.35 C ATOM 139 CG LEU A 10 0.247 1.726 -2.072 1.00 0.37 C ATOM 140 CD1 LEU A 10 -0.836 1.514 -1.031 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.262 0.594 -3.087 1.00 0.37 C ATOM 0 H LEU A 10 -0.475 5.308 -3.534 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.441 4.138 -0.969 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.958 3.072 -3.201 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.752 3.150 -3.574 1.00 0.35 H new ATOM 0 HG LEU A 10 1.217 1.729 -1.574 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.685 0.553 -0.539 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -0.790 2.312 -0.290 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -1.813 1.524 -1.515 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.414 -0.355 -2.572 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.689 0.570 -3.619 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.072 0.754 -3.799 1.00 0.37 H new ATOM 153 N ARG A 11 2.434 4.902 -2.401 1.00 0.36 N ATOM 154 CA ARG A 11 3.852 5.190 -2.214 1.00 0.38 C ATOM 155 C ARG A 11 4.075 6.077 -0.977 1.00 0.39 C ATOM 156 O ARG A 11 4.898 5.756 -0.117 1.00 0.41 O ATOM 157 CB ARG A 11 4.377 5.891 -3.467 1.00 0.42 C ATOM 158 CG ARG A 11 5.813 6.335 -3.402 1.00 0.52 C ATOM 159 CD ARG A 11 6.160 7.178 -4.607 1.00 0.71 C ATOM 160 NE ARG A 11 7.483 7.776 -4.474 1.00 1.21 N ATOM 161 CZ ARG A 11 7.708 9.092 -4.408 1.00 1.60 C ATOM 162 NH1 ARG A 11 6.706 9.953 -4.530 1.00 1.92 N ATOM 163 NH2 ARG A 11 8.934 9.535 -4.216 1.00 2.46 N ATOM 0 H ARG A 11 2.112 5.076 -3.353 1.00 0.36 H new ATOM 0 HA ARG A 11 4.391 4.256 -2.054 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.260 5.217 -4.316 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.753 6.763 -3.664 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.982 6.907 -2.490 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.468 5.465 -3.359 1.00 0.52 H new ATOM 0 HD2 ARG A 11 6.126 6.562 -5.506 1.00 0.71 H new ATOM 0 HD3 ARG A 11 5.415 7.964 -4.730 1.00 0.71 H new ATOM 0 HE ARG A 11 8.288 7.151 -4.428 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.756 9.612 -4.675 1.00 1.92 H new ATOM 0 HH12 ARG A 11 6.886 10.956 -4.478 1.00 1.92 H new ATOM 0 HH21 ARG A 11 9.705 8.875 -4.119 1.00 2.46 H new ATOM 0 HH22 ARG A 11 9.112 10.538 -4.165 1.00 2.46 H new ATOM 177 N ARG A 12 3.344 7.190 -0.905 1.00 0.42 N ATOM 178 CA ARG A 12 3.427 8.096 0.235 1.00 0.47 C ATOM 179 C ARG A 12 3.067 7.389 1.543 1.00 0.43 C ATOM 180 O ARG A 12 3.837 7.423 2.506 1.00 0.48 O ATOM 181 CB ARG A 12 2.551 9.345 0.054 1.00 0.60 C ATOM 182 CG ARG A 12 2.590 10.240 1.278 1.00 1.18 C ATOM 183 CD ARG A 12 1.715 11.468 1.173 1.00 1.47 C ATOM 184 NE ARG A 12 1.667 12.136 2.478 1.00 2.25 N ATOM 185 CZ ARG A 12 1.259 13.373 2.738 1.00 2.83 C ATOM 186 NH1 ARG A 12 0.797 14.172 1.781 1.00 2.60 N ATOM 187 NH2 ARG A 12 1.291 13.786 3.992 1.00 3.93 N ATOM 0 H ARG A 12 2.686 7.484 -1.627 1.00 0.42 H new ATOM 0 HA ARG A 12 4.466 8.422 0.288 1.00 0.47 H new ATOM 0 HB2 ARG A 12 2.891 9.905 -0.817 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.522 9.043 -0.143 1.00 0.60 H new ATOM 0 HG2 ARG A 12 2.282 9.661 2.148 1.00 1.18 H new ATOM 0 HG3 ARG A 12 3.619 10.554 1.452 1.00 1.18 H new ATOM 0 HD2 ARG A 12 2.109 12.147 0.417 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.710 11.188 0.857 1.00 1.47 H new ATOM 0 HE ARG A 12 1.983 11.588 3.278 1.00 2.25 H new ATOM 0 HH11 ARG A 12 0.749 13.839 0.818 1.00 2.60 H new ATOM 0 HH12 ARG A 12 0.490 15.118 2.010 1.00 2.60 H new ATOM 0 HH21 ARG A 12 1.622 13.161 4.727 1.00 3.93 H new ATOM 0 HH22 ARG A 12 0.985 14.730 4.226 1.00 3.93 H new ATOM 201 N ALA A 13 1.924 6.702 1.544 1.00 0.40 N ATOM 202 CA ALA A 13 1.407 6.036 2.741 1.00 0.42 C ATOM 203 C ALA A 13 2.381 4.989 3.255 1.00 0.41 C ATOM 204 O ALA A 13 2.537 4.824 4.473 1.00 0.50 O ATOM 205 CB ALA A 13 0.054 5.405 2.445 1.00 0.45 C ATOM 0 H ALA A 13 1.333 6.592 0.720 1.00 0.40 H new ATOM 0 HA ALA A 13 1.285 6.787 3.521 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.322 4.912 3.342 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.648 6.179 2.135 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.162 4.671 1.646 1.00 0.45 H new ATOM 211 N LEU A 14 3.048 4.314 2.336 1.00 0.38 N ATOM 212 CA LEU A 14 4.053 3.321 2.676 1.00 0.46 C ATOM 213 C LEU A 14 5.216 3.980 3.411 1.00 0.54 C ATOM 214 O LEU A 14 5.545 3.596 4.540 1.00 0.69 O ATOM 215 CB LEU A 14 4.558 2.624 1.408 1.00 0.48 C ATOM 216 CG LEU A 14 3.559 1.735 0.665 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.151 1.280 -0.650 1.00 1.21 C ATOM 218 CD2 LEU A 14 3.193 0.529 1.511 1.00 1.44 C ATOM 0 H LEU A 14 2.909 4.438 1.333 1.00 0.38 H new ATOM 0 HA LEU A 14 3.601 2.575 3.330 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.911 3.390 0.717 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.421 2.015 1.676 1.00 0.48 H new ATOM 0 HG LEU A 14 2.656 2.313 0.470 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.433 0.648 -1.173 1.00 1.21 H new ATOM 0 HD12 LEU A 14 4.383 2.150 -1.265 1.00 1.21 H new ATOM 0 HD13 LEU A 14 5.064 0.714 -0.462 1.00 1.21 H new ATOM 0 HD21 LEU A 14 2.482 -0.094 0.969 1.00 1.44 H new ATOM 0 HD22 LEU A 14 4.091 -0.050 1.727 1.00 1.44 H new ATOM 0 HD23 LEU A 14 2.743 0.863 2.446 1.00 1.44 H new ATOM 230 N VAL A 15 5.776 5.021 2.800 1.00 0.53 N ATOM 231 CA VAL A 15 6.921 5.746 3.360 1.00 0.63 C ATOM 232 C VAL A 15 6.601 6.306 4.753 1.00 0.66 C ATOM 233 O VAL A 15 7.389 6.137 5.693 1.00 0.80 O ATOM 234 CB VAL A 15 7.400 6.888 2.404 1.00 0.67 C ATOM 235 CG1 VAL A 15 8.527 7.708 3.035 1.00 0.76 C ATOM 236 CG2 VAL A 15 7.882 6.298 1.084 1.00 0.71 C ATOM 0 H VAL A 15 5.452 5.388 1.905 1.00 0.53 H new ATOM 0 HA VAL A 15 7.736 5.030 3.462 1.00 0.63 H new ATOM 0 HB VAL A 15 6.551 7.548 2.225 1.00 0.67 H new ATOM 0 HG11 VAL A 15 8.836 8.493 2.345 1.00 0.76 H new ATOM 0 HG12 VAL A 15 8.174 8.159 3.962 1.00 0.76 H new ATOM 0 HG13 VAL A 15 9.375 7.057 3.248 1.00 0.76 H new ATOM 0 HG21 VAL A 15 8.213 7.101 0.426 1.00 0.71 H new ATOM 0 HG22 VAL A 15 8.712 5.617 1.271 1.00 0.71 H new ATOM 0 HG23 VAL A 15 7.066 5.753 0.609 1.00 0.71 H new ATOM 246 N GLU A 16 5.429 6.926 4.890 1.00 0.62 N ATOM 247 CA GLU A 16 5.000 7.519 6.166 1.00 0.71 C ATOM 248 C GLU A 16 4.895 6.463 7.277 1.00 0.74 C ATOM 249 O GLU A 16 5.109 6.767 8.454 1.00 0.89 O ATOM 250 CB GLU A 16 3.633 8.187 6.025 1.00 0.79 C ATOM 251 CG GLU A 16 3.541 9.301 5.006 1.00 0.87 C ATOM 252 CD GLU A 16 2.129 9.819 4.887 1.00 1.20 C ATOM 253 OE1 GLU A 16 1.192 9.030 4.624 1.00 2.05 O ATOM 254 OE2 GLU A 16 1.915 11.038 5.075 1.00 1.38 O ATOM 0 H GLU A 16 4.754 7.033 4.133 1.00 0.62 H new ATOM 0 HA GLU A 16 5.757 8.256 6.433 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.902 7.422 5.764 1.00 0.79 H new ATOM 0 HB3 GLU A 16 3.344 8.586 6.997 1.00 0.79 H new ATOM 0 HG2 GLU A 16 4.206 10.115 5.293 1.00 0.87 H new ATOM 0 HG3 GLU A 16 3.881 8.938 4.036 1.00 0.87 H new ATOM 261 N SER A 17 4.575 5.238 6.906 1.00 0.68 N ATOM 262 CA SER A 17 4.376 4.189 7.882 1.00 0.77 C ATOM 263 C SER A 17 5.685 3.449 8.184 1.00 0.89 C ATOM 264 O SER A 17 5.909 3.012 9.312 1.00 1.15 O ATOM 265 CB SER A 17 3.320 3.215 7.377 1.00 0.73 C ATOM 266 OG SER A 17 2.148 3.915 6.955 1.00 1.39 O ATOM 0 H SER A 17 4.448 4.947 5.937 1.00 0.68 H new ATOM 0 HA SER A 17 4.034 4.645 8.811 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.721 2.634 6.547 1.00 0.73 H new ATOM 0 HB3 SER A 17 3.063 2.508 8.166 1.00 0.73 H new ATOM 0 HG SER A 17 2.169 4.032 5.982 1.00 1.39 H new ATOM 272 N ALA A 18 6.541 3.318 7.182 1.00 0.82 N ATOM 273 CA ALA A 18 7.810 2.623 7.347 1.00 1.03 C ATOM 274 C ALA A 18 8.831 3.499 8.067 1.00 1.22 C ATOM 275 O ALA A 18 9.724 2.992 8.766 1.00 1.58 O ATOM 276 CB ALA A 18 8.349 2.169 5.999 1.00 1.03 C ATOM 0 H ALA A 18 6.380 3.684 6.244 1.00 0.82 H new ATOM 0 HA ALA A 18 7.632 1.742 7.964 1.00 1.03 H new ATOM 0 HB1 ALA A 18 9.298 1.652 6.142 1.00 1.03 H new ATOM 0 HB2 ALA A 18 7.634 1.493 5.530 1.00 1.03 H new ATOM 0 HB3 ALA A 18 8.502 3.037 5.357 1.00 1.03 H new ATOM 282 N GLY A 19 8.706 4.801 7.883 1.00 1.23 N ATOM 283 CA GLY A 19 9.599 5.743 8.516 1.00 1.56 C ATOM 284 C GLY A 19 10.865 5.900 7.718 1.00 1.74 C ATOM 285 O GLY A 19 10.995 6.827 6.897 1.00 2.32 O ATOM 0 H GLY A 19 7.989 5.228 7.296 1.00 1.23 H new ATOM 0 HA2 GLY A 19 9.104 6.709 8.615 1.00 1.56 H new ATOM 0 HA3 GLY A 19 9.839 5.403 9.523 1.00 1.56 H new ATOM 289 N GLU A 20 11.778 4.988 7.927 1.00 2.01 N ATOM 290 CA GLU A 20 13.020 4.964 7.208 1.00 2.53 C ATOM 291 C GLU A 20 12.899 3.977 6.082 1.00 2.51 C ATOM 292 O GLU A 20 12.748 2.770 6.310 1.00 3.17 O ATOM 293 CB GLU A 20 14.172 4.595 8.126 1.00 3.47 C ATOM 294 CG GLU A 20 14.400 5.601 9.227 1.00 4.03 C ATOM 295 CD GLU A 20 15.495 5.196 10.157 1.00 4.59 C ATOM 296 OE1 GLU A 20 15.236 4.456 11.121 1.00 4.85 O ATOM 297 OE2 GLU A 20 16.647 5.617 9.943 1.00 5.17 O ATOM 0 H GLU A 20 11.677 4.235 8.608 1.00 2.01 H new ATOM 0 HA GLU A 20 13.230 5.956 6.808 1.00 2.53 H new ATOM 0 HB2 GLU A 20 13.976 3.619 8.569 1.00 3.47 H new ATOM 0 HB3 GLU A 20 15.083 4.500 7.535 1.00 3.47 H new ATOM 0 HG2 GLU A 20 14.642 6.568 8.786 1.00 4.03 H new ATOM 0 HG3 GLU A 20 13.477 5.730 9.793 1.00 4.03 H new ATOM 304 N THR A 21 12.901 4.478 4.894 1.00 2.53 N ATOM 305 CA THR A 21 12.751 3.674 3.740 1.00 3.19 C ATOM 306 C THR A 21 13.345 4.348 2.529 1.00 3.12 C ATOM 307 O THR A 21 12.887 5.409 2.058 1.00 3.48 O ATOM 308 CB THR A 21 11.269 3.283 3.503 1.00 4.10 C ATOM 309 OG1 THR A 21 11.118 2.581 2.268 1.00 4.58 O ATOM 310 CG2 THR A 21 10.318 4.470 3.570 1.00 4.86 C ATOM 0 H THR A 21 13.009 5.473 4.699 1.00 2.53 H new ATOM 0 HA THR A 21 13.303 2.749 3.910 1.00 3.19 H new ATOM 0 HB THR A 21 10.993 2.620 4.323 1.00 4.10 H new ATOM 0 HG1 THR A 21 10.356 1.968 2.331 1.00 4.58 H new ATOM 0 HG21 THR A 21 9.298 4.129 3.396 1.00 4.86 H new ATOM 0 HG22 THR A 21 10.383 4.933 4.555 1.00 4.86 H new ATOM 0 HG23 THR A 21 10.592 5.199 2.808 1.00 4.86 H new ATOM 318 N ASP A 22 14.420 3.795 2.103 1.00 3.06 N ATOM 319 CA ASP A 22 15.057 4.222 0.894 1.00 3.18 C ATOM 320 C ASP A 22 14.647 3.289 -0.187 1.00 2.90 C ATOM 321 O ASP A 22 14.009 3.693 -1.162 1.00 3.34 O ATOM 322 CB ASP A 22 16.584 4.264 1.009 1.00 3.66 C ATOM 323 CG ASP A 22 17.069 5.383 1.881 1.00 4.04 C ATOM 324 OD1 ASP A 22 16.902 6.559 1.519 1.00 4.50 O ATOM 325 OD2 ASP A 22 17.608 5.094 2.987 1.00 4.28 O ATOM 0 H ASP A 22 14.893 3.027 2.580 1.00 3.06 H new ATOM 0 HA ASP A 22 14.744 5.243 0.676 1.00 3.18 H new ATOM 0 HB2 ASP A 22 16.940 3.315 1.411 1.00 3.66 H new ATOM 0 HB3 ASP A 22 17.016 4.371 0.014 1.00 3.66 H new ATOM 330 N GLY A 23 14.965 2.022 0.014 1.00 2.71 N ATOM 331 CA GLY A 23 14.623 0.997 -0.928 1.00 2.74 C ATOM 332 C GLY A 23 15.466 1.057 -2.184 1.00 2.39 C ATOM 333 O GLY A 23 16.385 0.264 -2.369 1.00 2.77 O ATOM 0 H GLY A 23 15.466 1.686 0.836 1.00 2.71 H new ATOM 0 HA2 GLY A 23 14.746 0.021 -0.458 1.00 2.74 H new ATOM 0 HA3 GLY A 23 13.571 1.091 -1.196 1.00 2.74 H new ATOM 337 N THR A 24 15.167 2.032 -2.997 1.00 2.07 N ATOM 338 CA THR A 24 15.746 2.253 -4.288 1.00 1.91 C ATOM 339 C THR A 24 14.989 3.469 -4.848 1.00 1.88 C ATOM 340 O THR A 24 14.537 4.320 -4.053 1.00 2.57 O ATOM 341 CB THR A 24 15.559 0.972 -5.195 1.00 2.18 C ATOM 342 OG1 THR A 24 16.178 1.120 -6.481 1.00 2.87 O ATOM 343 CG2 THR A 24 14.082 0.603 -5.373 1.00 2.46 C ATOM 0 H THR A 24 14.469 2.736 -2.758 1.00 2.07 H new ATOM 0 HA THR A 24 16.820 2.437 -4.249 1.00 1.91 H new ATOM 0 HB THR A 24 16.058 0.160 -4.666 1.00 2.18 H new ATOM 0 HG1 THR A 24 16.039 0.305 -7.007 1.00 2.87 H new ATOM 0 HG21 THR A 24 14.002 -0.283 -6.003 1.00 2.46 H new ATOM 0 HG22 THR A 24 13.639 0.397 -4.399 1.00 2.46 H new ATOM 0 HG23 THR A 24 13.554 1.432 -5.844 1.00 2.46 H new ATOM 351 N ASP A 25 14.826 3.573 -6.140 1.00 1.70 N ATOM 352 CA ASP A 25 13.983 4.603 -6.664 1.00 1.79 C ATOM 353 C ASP A 25 12.544 4.115 -6.568 1.00 1.40 C ATOM 354 O ASP A 25 12.128 3.160 -7.226 1.00 1.51 O ATOM 355 CB ASP A 25 14.376 5.077 -8.088 1.00 2.34 C ATOM 356 CG ASP A 25 14.190 4.065 -9.194 1.00 2.77 C ATOM 357 OD1 ASP A 25 15.036 3.147 -9.324 1.00 3.17 O ATOM 358 OD2 ASP A 25 13.186 4.140 -9.927 1.00 3.23 O ATOM 0 H ASP A 25 15.260 2.966 -6.836 1.00 1.70 H new ATOM 0 HA ASP A 25 14.109 5.505 -6.065 1.00 1.79 H new ATOM 0 HB2 ASP A 25 13.789 5.963 -8.330 1.00 2.34 H new ATOM 0 HB3 ASP A 25 15.422 5.382 -8.073 1.00 2.34 H new ATOM 363 N LEU A 26 11.819 4.727 -5.674 1.00 1.16 N ATOM 364 CA LEU A 26 10.463 4.314 -5.352 1.00 0.93 C ATOM 365 C LEU A 26 9.482 5.167 -6.140 1.00 0.82 C ATOM 366 O LEU A 26 8.266 4.997 -6.070 1.00 0.80 O ATOM 367 CB LEU A 26 10.242 4.480 -3.840 1.00 0.99 C ATOM 368 CG LEU A 26 9.003 3.815 -3.243 1.00 0.82 C ATOM 369 CD1 LEU A 26 9.124 2.309 -3.338 1.00 0.95 C ATOM 370 CD2 LEU A 26 8.816 4.241 -1.801 1.00 1.03 C ATOM 0 H LEU A 26 12.145 5.532 -5.140 1.00 1.16 H new ATOM 0 HA LEU A 26 10.305 3.269 -5.619 1.00 0.93 H new ATOM 0 HB2 LEU A 26 11.119 4.088 -3.324 1.00 0.99 H new ATOM 0 HB3 LEU A 26 10.193 5.546 -3.620 1.00 0.99 H new ATOM 0 HG LEU A 26 8.128 4.132 -3.811 1.00 0.82 H new ATOM 0 HD11 LEU A 26 8.236 1.845 -2.910 1.00 0.95 H new ATOM 0 HD12 LEU A 26 9.218 2.017 -4.384 1.00 0.95 H new ATOM 0 HD13 LEU A 26 10.006 1.979 -2.789 1.00 0.95 H new ATOM 0 HD21 LEU A 26 7.929 3.758 -1.391 1.00 1.03 H new ATOM 0 HD22 LEU A 26 9.690 3.949 -1.219 1.00 1.03 H new ATOM 0 HD23 LEU A 26 8.694 5.323 -1.754 1.00 1.03 H new ATOM 382 N SER A 27 10.035 6.090 -6.857 1.00 0.90 N ATOM 383 CA SER A 27 9.318 6.983 -7.689 1.00 0.92 C ATOM 384 C SER A 27 8.966 6.321 -9.032 1.00 0.91 C ATOM 385 O SER A 27 9.761 5.550 -9.596 1.00 1.08 O ATOM 386 CB SER A 27 10.185 8.219 -7.852 1.00 1.15 C ATOM 387 OG SER A 27 11.575 7.851 -7.801 1.00 1.46 O ATOM 0 H SER A 27 11.043 6.244 -6.875 1.00 0.90 H new ATOM 0 HA SER A 27 8.362 7.262 -7.246 1.00 0.92 H new ATOM 0 HB2 SER A 27 9.963 8.707 -8.801 1.00 1.15 H new ATOM 0 HB3 SER A 27 9.961 8.938 -7.064 1.00 1.15 H new ATOM 0 HG SER A 27 11.745 7.126 -8.438 1.00 1.46 H new ATOM 393 N GLY A 28 7.776 6.585 -9.507 1.00 0.93 N ATOM 394 CA GLY A 28 7.321 6.021 -10.753 1.00 0.99 C ATOM 395 C GLY A 28 6.582 4.728 -10.520 1.00 0.85 C ATOM 396 O GLY A 28 5.859 4.584 -9.518 1.00 1.02 O ATOM 0 H GLY A 28 7.099 7.192 -9.045 1.00 0.93 H new ATOM 0 HA2 GLY A 28 6.669 6.731 -11.261 1.00 0.99 H new ATOM 0 HA3 GLY A 28 8.173 5.844 -11.410 1.00 0.99 H new ATOM 400 N ASP A 29 6.751 3.781 -11.407 1.00 0.70 N ATOM 401 CA ASP A 29 6.112 2.498 -11.250 1.00 0.64 C ATOM 402 C ASP A 29 7.011 1.590 -10.461 1.00 0.55 C ATOM 403 O ASP A 29 7.966 1.021 -10.992 1.00 0.74 O ATOM 404 CB ASP A 29 5.781 1.837 -12.597 1.00 0.80 C ATOM 405 CG ASP A 29 4.972 0.554 -12.429 1.00 1.29 C ATOM 406 OD1 ASP A 29 5.590 -0.513 -12.260 1.00 2.07 O ATOM 407 OD2 ASP A 29 3.716 0.590 -12.477 1.00 1.68 O ATOM 0 H ASP A 29 7.325 3.873 -12.245 1.00 0.70 H new ATOM 0 HA ASP A 29 5.171 2.663 -10.726 1.00 0.64 H new ATOM 0 HB2 ASP A 29 5.221 2.538 -13.216 1.00 0.80 H new ATOM 0 HB3 ASP A 29 6.707 1.613 -13.127 1.00 0.80 H new ATOM 412 N PHE A 30 6.745 1.484 -9.196 1.00 0.39 N ATOM 413 CA PHE A 30 7.501 0.589 -8.359 1.00 0.34 C ATOM 414 C PHE A 30 6.700 -0.683 -8.149 1.00 0.31 C ATOM 415 O PHE A 30 7.105 -1.566 -7.435 1.00 0.31 O ATOM 416 CB PHE A 30 7.861 1.250 -7.006 1.00 0.35 C ATOM 417 CG PHE A 30 6.702 1.480 -6.055 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.803 2.519 -6.247 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.535 0.655 -4.950 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.762 2.724 -5.362 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.501 0.851 -4.062 1.00 0.38 C ATOM 422 CZ PHE A 30 4.610 1.890 -4.267 1.00 0.42 C ATOM 0 H PHE A 30 6.011 2.004 -8.715 1.00 0.39 H new ATOM 0 HA PHE A 30 8.442 0.348 -8.853 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.600 0.626 -6.504 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.337 2.210 -7.207 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.918 3.175 -7.097 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.229 -0.155 -4.784 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.067 3.535 -5.524 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.386 0.197 -3.210 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.797 2.050 -3.574 1.00 0.42 H new ATOM 432 N LEU A 31 5.546 -0.747 -8.815 1.00 0.31 N ATOM 433 CA LEU A 31 4.584 -1.852 -8.710 1.00 0.31 C ATOM 434 C LEU A 31 5.188 -3.230 -8.982 1.00 0.31 C ATOM 435 O LEU A 31 4.679 -4.240 -8.494 1.00 0.35 O ATOM 436 CB LEU A 31 3.407 -1.645 -9.639 1.00 0.33 C ATOM 437 CG LEU A 31 2.636 -0.332 -9.525 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.425 -0.394 -10.416 1.00 0.39 C ATOM 439 CD2 LEU A 31 2.222 -0.046 -8.087 1.00 0.32 C ATOM 0 H LEU A 31 5.244 -0.015 -9.459 1.00 0.31 H new ATOM 0 HA LEU A 31 4.256 -1.837 -7.671 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.769 -1.734 -10.663 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.704 -2.462 -9.477 1.00 0.33 H new ATOM 0 HG LEU A 31 3.288 0.482 -9.841 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.869 0.540 -10.340 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.740 -0.546 -11.448 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.787 -1.222 -10.106 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.676 0.896 -8.046 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.583 -0.852 -7.725 1.00 0.32 H new ATOM 0 HD23 LEU A 31 3.110 0.022 -7.459 1.00 0.32 H new ATOM 451 N ASP A 32 6.242 -3.262 -9.764 1.00 0.31 N ATOM 452 CA ASP A 32 6.890 -4.516 -10.146 1.00 0.37 C ATOM 453 C ASP A 32 7.979 -4.876 -9.149 1.00 0.37 C ATOM 454 O ASP A 32 8.394 -6.033 -9.030 1.00 0.45 O ATOM 455 CB ASP A 32 7.479 -4.372 -11.554 1.00 0.48 C ATOM 456 CG ASP A 32 8.199 -5.604 -12.053 1.00 1.29 C ATOM 457 OD1 ASP A 32 7.522 -6.558 -12.540 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.452 -5.623 -12.009 1.00 1.83 O ATOM 0 H ASP A 32 6.680 -2.429 -10.157 1.00 0.31 H new ATOM 0 HA ASP A 32 6.152 -5.318 -10.145 1.00 0.37 H new ATOM 0 HB2 ASP A 32 6.675 -4.128 -12.249 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.173 -3.531 -11.561 1.00 0.48 H new ATOM 463 N LEU A 33 8.409 -3.898 -8.416 1.00 0.35 N ATOM 464 CA LEU A 33 9.410 -4.085 -7.415 1.00 0.37 C ATOM 465 C LEU A 33 8.744 -4.615 -6.173 1.00 0.34 C ATOM 466 O LEU A 33 7.810 -4.010 -5.656 1.00 0.40 O ATOM 467 CB LEU A 33 10.196 -2.784 -7.123 1.00 0.41 C ATOM 468 CG LEU A 33 11.165 -2.261 -8.222 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.448 -1.868 -9.508 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.961 -1.087 -7.697 1.00 1.27 C ATOM 0 H LEU A 33 8.072 -2.939 -8.497 1.00 0.35 H new ATOM 0 HA LEU A 33 10.146 -4.803 -7.777 1.00 0.37 H new ATOM 0 HB2 LEU A 33 9.473 -1.996 -6.911 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.775 -2.939 -6.212 1.00 0.41 H new ATOM 0 HG LEU A 33 11.834 -3.085 -8.469 1.00 0.51 H new ATOM 0 HD11 LEU A 33 11.176 -1.511 -10.236 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.925 -2.735 -9.912 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.729 -1.077 -9.296 1.00 1.37 H new ATOM 0 HD21 LEU A 33 12.636 -0.729 -8.474 1.00 1.27 H new ATOM 0 HD22 LEU A 33 11.281 -0.285 -7.409 1.00 1.27 H new ATOM 0 HD23 LEU A 33 12.541 -1.400 -6.829 1.00 1.27 H new ATOM 482 N ARG A 34 9.202 -5.735 -5.710 1.00 0.33 N ATOM 483 CA ARG A 34 8.590 -6.377 -4.571 1.00 0.34 C ATOM 484 C ARG A 34 8.951 -5.646 -3.302 1.00 0.29 C ATOM 485 O ARG A 34 10.073 -5.135 -3.173 1.00 0.34 O ATOM 486 CB ARG A 34 9.017 -7.848 -4.449 1.00 0.47 C ATOM 487 CG ARG A 34 8.469 -8.798 -5.513 1.00 0.61 C ATOM 488 CD ARG A 34 9.032 -8.568 -6.907 1.00 1.10 C ATOM 489 NE ARG A 34 8.575 -9.602 -7.850 1.00 1.91 N ATOM 490 CZ ARG A 34 8.856 -9.629 -9.161 1.00 3.03 C ATOM 491 NH1 ARG A 34 9.338 -8.548 -9.764 1.00 3.63 N ATOM 492 NH2 ARG A 34 8.586 -10.716 -9.874 1.00 3.94 N ATOM 0 H ARG A 34 10.002 -6.233 -6.100 1.00 0.33 H new ATOM 0 HA ARG A 34 7.511 -6.345 -4.722 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.106 -7.893 -4.477 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.708 -8.215 -3.470 1.00 0.47 H new ATOM 0 HG2 ARG A 34 8.683 -9.824 -5.212 1.00 0.61 H new ATOM 0 HG3 ARG A 34 7.384 -8.696 -5.550 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.726 -7.585 -7.267 1.00 1.10 H new ATOM 0 HD3 ARG A 34 10.121 -8.568 -6.865 1.00 1.10 H new ATOM 0 HE ARG A 34 8.000 -10.357 -7.477 1.00 1.91 H new ATOM 0 HH11 ARG A 34 9.496 -7.694 -9.230 1.00 3.63 H new ATOM 0 HH12 ARG A 34 9.551 -8.572 -10.761 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.165 -11.529 -9.425 1.00 3.94 H new ATOM 0 HH22 ARG A 34 8.799 -10.738 -10.871 1.00 3.94 H new ATOM 506 N PHE A 35 8.021 -5.614 -2.344 1.00 0.25 N ATOM 507 CA PHE A 35 8.270 -4.931 -1.070 1.00 0.24 C ATOM 508 C PHE A 35 9.433 -5.595 -0.357 1.00 0.27 C ATOM 509 O PHE A 35 10.219 -4.944 0.327 1.00 0.29 O ATOM 510 CB PHE A 35 7.053 -4.947 -0.145 1.00 0.26 C ATOM 511 CG PHE A 35 5.799 -4.386 -0.709 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.633 -3.024 -0.872 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.768 -5.220 -1.035 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.447 -2.524 -1.359 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.591 -4.732 -1.524 1.00 0.32 C ATOM 516 CZ PHE A 35 3.425 -3.393 -1.684 1.00 0.35 C ATOM 0 H PHE A 35 7.101 -6.046 -2.423 1.00 0.25 H new ATOM 0 HA PHE A 35 8.497 -3.891 -1.305 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.864 -5.977 0.156 1.00 0.26 H new ATOM 0 HB3 PHE A 35 7.302 -4.392 0.759 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.437 -2.349 -0.616 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.886 -6.285 -0.903 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.317 -1.459 -1.486 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.792 -5.410 -1.784 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.491 -3.008 -2.066 1.00 0.35 H new ATOM 526 N GLU A 36 9.535 -6.895 -0.559 1.00 0.37 N ATOM 527 CA GLU A 36 10.590 -7.730 -0.013 1.00 0.47 C ATOM 528 C GLU A 36 11.971 -7.166 -0.404 1.00 0.46 C ATOM 529 O GLU A 36 12.890 -7.070 0.423 1.00 0.51 O ATOM 530 CB GLU A 36 10.447 -9.127 -0.608 1.00 0.64 C ATOM 531 CG GLU A 36 11.268 -10.183 0.082 1.00 1.56 C ATOM 532 CD GLU A 36 10.696 -10.545 1.419 1.00 2.12 C ATOM 533 OE1 GLU A 36 11.002 -9.833 2.397 1.00 2.45 O ATOM 534 OE2 GLU A 36 9.935 -11.522 1.520 1.00 2.79 O ATOM 0 H GLU A 36 8.865 -7.416 -1.125 1.00 0.37 H new ATOM 0 HA GLU A 36 10.510 -7.756 1.074 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.397 -9.419 -0.572 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.732 -9.092 -1.660 1.00 0.64 H new ATOM 0 HG2 GLU A 36 11.318 -11.073 -0.545 1.00 1.56 H new ATOM 0 HG3 GLU A 36 12.290 -9.825 0.208 1.00 1.56 H new ATOM 541 N ASP A 37 12.059 -6.716 -1.646 1.00 0.44 N ATOM 542 CA ASP A 37 13.300 -6.240 -2.239 1.00 0.50 C ATOM 543 C ASP A 37 13.587 -4.817 -1.827 1.00 0.48 C ATOM 544 O ASP A 37 14.732 -4.446 -1.608 1.00 0.60 O ATOM 545 CB ASP A 37 13.204 -6.321 -3.770 1.00 0.57 C ATOM 546 CG ASP A 37 14.433 -5.801 -4.485 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.413 -6.542 -4.622 1.00 0.74 O ATOM 548 OD2 ASP A 37 14.453 -4.608 -4.887 1.00 0.88 O ATOM 0 H ASP A 37 11.260 -6.670 -2.279 1.00 0.44 H new ATOM 0 HA ASP A 37 14.114 -6.872 -1.884 1.00 0.50 H new ATOM 0 HB2 ASP A 37 13.037 -7.358 -4.060 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.334 -5.753 -4.101 1.00 0.57 H new ATOM 553 N ILE A 38 12.545 -4.042 -1.650 1.00 0.40 N ATOM 554 CA ILE A 38 12.706 -2.638 -1.315 1.00 0.42 C ATOM 555 C ILE A 38 12.708 -2.399 0.198 1.00 0.42 C ATOM 556 O ILE A 38 12.529 -1.275 0.655 1.00 0.50 O ATOM 557 CB ILE A 38 11.656 -1.729 -2.016 1.00 0.47 C ATOM 558 CG1 ILE A 38 10.225 -2.141 -1.625 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.843 -1.785 -3.531 1.00 0.56 C ATOM 560 CD1 ILE A 38 9.128 -1.290 -2.238 1.00 0.60 C ATOM 0 H ILE A 38 11.577 -4.353 -1.731 1.00 0.40 H new ATOM 0 HA ILE A 38 13.686 -2.355 -1.698 1.00 0.42 H new ATOM 0 HB ILE A 38 11.809 -0.702 -1.684 1.00 0.47 H new ATOM 0 HG12 ILE A 38 10.068 -3.179 -1.919 1.00 0.47 H new ATOM 0 HG13 ILE A 38 10.134 -2.100 -0.540 1.00 0.47 H new ATOM 0 HG21 ILE A 38 11.103 -1.146 -4.013 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.844 -1.438 -3.787 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.715 -2.811 -3.876 1.00 0.56 H new ATOM 0 HD11 ILE A 38 8.156 -1.655 -1.906 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.253 -0.254 -1.924 1.00 0.60 H new ATOM 0 HD13 ILE A 38 9.186 -1.349 -3.325 1.00 0.60 H new ATOM 572 N GLY A 39 12.970 -3.453 0.954 1.00 0.42 N ATOM 573 CA GLY A 39 13.123 -3.347 2.396 1.00 0.50 C ATOM 574 C GLY A 39 11.835 -3.030 3.120 1.00 0.47 C ATOM 575 O GLY A 39 11.796 -2.134 3.966 1.00 0.66 O ATOM 0 H GLY A 39 13.082 -4.399 0.589 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.524 -4.285 2.780 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.856 -2.571 2.619 1.00 0.50 H new ATOM 579 N TYR A 40 10.791 -3.722 2.773 1.00 0.36 N ATOM 580 CA TYR A 40 9.510 -3.557 3.419 1.00 0.36 C ATOM 581 C TYR A 40 9.059 -4.826 4.077 1.00 0.42 C ATOM 582 O TYR A 40 8.990 -5.884 3.433 1.00 0.59 O ATOM 583 CB TYR A 40 8.440 -3.117 2.430 1.00 0.36 C ATOM 584 CG TYR A 40 8.255 -1.639 2.303 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.170 -0.851 1.638 1.00 0.70 C ATOM 586 CD2 TYR A 40 7.141 -1.033 2.859 1.00 0.64 C ATOM 587 CE1 TYR A 40 8.988 0.506 1.527 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.941 0.319 2.760 1.00 0.90 C ATOM 589 CZ TYR A 40 7.876 1.094 2.085 1.00 1.04 C ATOM 590 OH TYR A 40 7.706 2.456 1.982 1.00 1.33 O ATOM 0 H TYR A 40 10.797 -4.422 2.031 1.00 0.36 H new ATOM 0 HA TYR A 40 9.644 -2.784 4.176 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.688 -3.521 1.448 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.490 -3.561 2.727 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.044 -1.308 1.197 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.415 -1.638 3.381 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.715 1.109 1.004 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.068 0.776 3.201 1.00 0.90 H new ATOM 0 HH TYR A 40 7.366 2.677 1.090 1.00 1.33 H new ATOM 600 N ASP A 41 8.773 -4.733 5.343 1.00 0.42 N ATOM 601 CA ASP A 41 8.178 -5.830 6.065 1.00 0.51 C ATOM 602 C ASP A 41 6.710 -5.764 5.857 1.00 0.44 C ATOM 603 O ASP A 41 6.125 -4.672 5.933 1.00 0.38 O ATOM 604 CB ASP A 41 8.417 -5.760 7.579 1.00 0.67 C ATOM 605 CG ASP A 41 9.841 -5.929 8.006 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.365 -7.066 7.929 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.490 -4.927 8.359 1.00 0.99 O ATOM 0 H ASP A 41 8.943 -3.900 5.906 1.00 0.42 H new ATOM 0 HA ASP A 41 8.632 -6.748 5.692 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.056 -4.798 7.944 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.815 -6.530 8.062 1.00 0.67 H new ATOM 612 N SER A 42 6.113 -6.882 5.561 1.00 0.51 N ATOM 613 CA SER A 42 4.678 -7.001 5.454 1.00 0.48 C ATOM 614 C SER A 42 3.967 -6.481 6.738 1.00 0.41 C ATOM 615 O SER A 42 2.838 -6.032 6.680 1.00 0.37 O ATOM 616 CB SER A 42 4.298 -8.428 5.145 1.00 0.59 C ATOM 617 OG SER A 42 5.024 -8.909 4.017 1.00 1.03 O ATOM 0 H SER A 42 6.613 -7.753 5.383 1.00 0.51 H new ATOM 0 HA SER A 42 4.339 -6.373 4.630 1.00 0.48 H new ATOM 0 HB2 SER A 42 4.501 -9.059 6.010 1.00 0.59 H new ATOM 0 HB3 SER A 42 3.228 -8.490 4.949 1.00 0.59 H new ATOM 0 HG SER A 42 4.766 -9.836 3.833 1.00 1.03 H new ATOM 623 N LEU A 43 4.651 -6.518 7.884 1.00 0.45 N ATOM 624 CA LEU A 43 4.112 -5.945 9.115 1.00 0.46 C ATOM 625 C LEU A 43 3.958 -4.424 8.966 1.00 0.41 C ATOM 626 O LEU A 43 2.892 -3.872 9.253 1.00 0.41 O ATOM 627 CB LEU A 43 5.007 -6.265 10.320 1.00 0.59 C ATOM 628 CG LEU A 43 4.567 -5.648 11.659 1.00 0.75 C ATOM 629 CD1 LEU A 43 3.186 -6.138 12.068 1.00 1.56 C ATOM 630 CD2 LEU A 43 5.583 -5.938 12.744 1.00 1.24 C ATOM 0 H LEU A 43 5.575 -6.937 7.983 1.00 0.45 H new ATOM 0 HA LEU A 43 3.134 -6.392 9.292 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.054 -7.348 10.438 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.019 -5.925 10.099 1.00 0.59 H new ATOM 0 HG LEU A 43 4.509 -4.568 11.523 1.00 0.75 H new ATOM 0 HD11 LEU A 43 2.905 -5.683 13.018 1.00 1.56 H new ATOM 0 HD12 LEU A 43 2.460 -5.860 11.304 1.00 1.56 H new ATOM 0 HD13 LEU A 43 3.202 -7.223 12.176 1.00 1.56 H new ATOM 0 HD21 LEU A 43 5.251 -5.492 13.682 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.683 -7.016 12.870 1.00 1.24 H new ATOM 0 HD23 LEU A 43 6.547 -5.515 12.462 1.00 1.24 H new ATOM 642 N ALA A 44 5.020 -3.761 8.508 1.00 0.39 N ATOM 643 CA ALA A 44 4.996 -2.314 8.255 1.00 0.39 C ATOM 644 C ALA A 44 4.015 -2.005 7.127 1.00 0.34 C ATOM 645 O ALA A 44 3.366 -0.960 7.092 1.00 0.40 O ATOM 646 CB ALA A 44 6.391 -1.808 7.912 1.00 0.43 C ATOM 0 H ALA A 44 5.915 -4.204 8.302 1.00 0.39 H new ATOM 0 HA ALA A 44 4.666 -1.801 9.158 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.354 -0.734 7.728 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.066 -2.010 8.744 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.753 -2.317 7.019 1.00 0.43 H new ATOM 652 N LEU A 45 3.914 -2.944 6.225 1.00 0.29 N ATOM 653 CA LEU A 45 2.997 -2.903 5.111 1.00 0.28 C ATOM 654 C LEU A 45 1.548 -2.890 5.653 1.00 0.25 C ATOM 655 O LEU A 45 0.738 -2.040 5.281 1.00 0.26 O ATOM 656 CB LEU A 45 3.236 -4.155 4.284 1.00 0.30 C ATOM 657 CG LEU A 45 2.527 -4.288 2.969 1.00 0.33 C ATOM 658 CD1 LEU A 45 3.051 -3.259 2.024 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.767 -5.664 2.413 1.00 0.38 C ATOM 0 H LEU A 45 4.486 -3.788 6.244 1.00 0.29 H new ATOM 0 HA LEU A 45 3.149 -2.012 4.501 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.307 -4.227 4.093 1.00 0.30 H new ATOM 0 HB3 LEU A 45 2.963 -5.014 4.896 1.00 0.30 H new ATOM 0 HG LEU A 45 1.456 -4.139 3.107 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.539 -3.351 1.066 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.876 -2.265 2.435 1.00 0.43 H new ATOM 0 HD13 LEU A 45 4.121 -3.409 1.880 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.253 -5.765 1.457 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.837 -5.816 2.268 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.385 -6.410 3.110 1.00 0.38 H new ATOM 671 N MET A 46 1.244 -3.832 6.551 1.00 0.24 N ATOM 672 CA MET A 46 -0.066 -3.901 7.215 1.00 0.23 C ATOM 673 C MET A 46 -0.314 -2.659 8.048 1.00 0.25 C ATOM 674 O MET A 46 -1.428 -2.210 8.152 1.00 0.27 O ATOM 675 CB MET A 46 -0.216 -5.152 8.099 1.00 0.27 C ATOM 676 CG MET A 46 -0.150 -6.474 7.351 1.00 0.34 C ATOM 677 SD MET A 46 -0.376 -7.910 8.430 1.00 0.50 S ATOM 678 CE MET A 46 -2.069 -7.658 8.982 1.00 1.49 C ATOM 0 H MET A 46 1.893 -4.565 6.838 1.00 0.24 H new ATOM 0 HA MET A 46 -0.810 -3.964 6.421 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.567 -5.140 8.857 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.169 -5.096 8.625 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.916 -6.485 6.576 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.814 -6.553 6.848 1.00 0.34 H new ATOM 0 HE1 MET A 46 -2.494 -8.610 9.299 1.00 1.49 H new ATOM 0 HE2 MET A 46 -2.079 -6.959 9.819 1.00 1.49 H new ATOM 0 HE3 MET A 46 -2.662 -7.251 8.163 1.00 1.49 H new ATOM 688 N GLU A 47 0.748 -2.101 8.618 1.00 0.29 N ATOM 689 CA GLU A 47 0.676 -0.863 9.414 1.00 0.34 C ATOM 690 C GLU A 47 0.174 0.281 8.508 1.00 0.32 C ATOM 691 O GLU A 47 -0.612 1.144 8.913 1.00 0.36 O ATOM 692 CB GLU A 47 2.085 -0.528 9.930 1.00 0.45 C ATOM 693 CG GLU A 47 2.165 0.617 10.919 1.00 0.58 C ATOM 694 CD GLU A 47 1.606 0.253 12.266 1.00 1.03 C ATOM 695 OE1 GLU A 47 2.303 -0.398 13.068 1.00 1.25 O ATOM 696 OE2 GLU A 47 0.456 0.604 12.545 1.00 1.88 O ATOM 0 H GLU A 47 1.689 -2.488 8.546 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.005 -0.990 10.256 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.502 -1.419 10.399 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.719 -0.291 9.075 1.00 0.45 H new ATOM 0 HG2 GLU A 47 3.205 0.924 11.031 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.621 1.474 10.523 1.00 0.58 H new ATOM 703 N THR A 48 0.612 0.225 7.281 1.00 0.30 N ATOM 704 CA THR A 48 0.280 1.182 6.256 1.00 0.33 C ATOM 705 C THR A 48 -1.184 1.005 5.936 1.00 0.29 C ATOM 706 O THR A 48 -1.996 1.932 6.065 1.00 0.33 O ATOM 707 CB THR A 48 1.120 0.907 4.987 1.00 0.36 C ATOM 708 OG1 THR A 48 2.523 0.965 5.299 1.00 0.42 O ATOM 709 CG2 THR A 48 0.795 1.913 3.896 1.00 0.45 C ATOM 0 H THR A 48 1.233 -0.515 6.953 1.00 0.30 H new ATOM 0 HA THR A 48 0.488 2.197 6.596 1.00 0.33 H new ATOM 0 HB THR A 48 0.873 -0.091 4.625 1.00 0.36 H new ATOM 0 HG1 THR A 48 2.771 0.184 5.836 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.398 1.700 3.013 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.262 1.843 3.639 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.016 2.919 4.252 1.00 0.45 H new ATOM 717 N ALA A 49 -1.505 -0.225 5.541 1.00 0.25 N ATOM 718 CA ALA A 49 -2.843 -0.636 5.205 1.00 0.24 C ATOM 719 C ALA A 49 -3.805 -0.346 6.343 1.00 0.22 C ATOM 720 O ALA A 49 -4.944 -0.017 6.107 1.00 0.23 O ATOM 721 CB ALA A 49 -2.860 -2.112 4.844 1.00 0.27 C ATOM 0 H ALA A 49 -0.817 -0.972 5.447 1.00 0.25 H new ATOM 0 HA ALA A 49 -3.173 -0.062 4.340 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.877 -2.413 4.591 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.207 -2.285 3.988 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.508 -2.698 5.693 1.00 0.27 H new ATOM 727 N ALA A 50 -3.316 -0.440 7.578 1.00 0.23 N ATOM 728 CA ALA A 50 -4.111 -0.163 8.751 1.00 0.26 C ATOM 729 C ALA A 50 -4.681 1.247 8.720 1.00 0.28 C ATOM 730 O ALA A 50 -5.877 1.457 8.939 1.00 0.30 O ATOM 731 CB ALA A 50 -3.335 -0.389 10.030 1.00 0.33 C ATOM 0 H ALA A 50 -2.355 -0.712 7.783 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.941 -0.869 8.736 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.972 -0.168 10.886 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.009 -1.428 10.079 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.464 0.266 10.048 1.00 0.33 H new ATOM 737 N ARG A 51 -3.816 2.202 8.399 1.00 0.31 N ATOM 738 CA ARG A 51 -4.182 3.619 8.302 1.00 0.37 C ATOM 739 C ARG A 51 -5.184 3.811 7.179 1.00 0.36 C ATOM 740 O ARG A 51 -6.123 4.599 7.279 1.00 0.40 O ATOM 741 CB ARG A 51 -2.939 4.449 7.998 1.00 0.45 C ATOM 742 CG ARG A 51 -1.893 4.463 9.095 1.00 0.54 C ATOM 743 CD ARG A 51 -0.617 5.127 8.616 1.00 0.70 C ATOM 744 NE ARG A 51 -0.849 6.471 8.077 1.00 1.59 N ATOM 745 CZ ARG A 51 -0.090 7.025 7.118 1.00 1.76 C ATOM 746 NH1 ARG A 51 0.953 6.369 6.635 1.00 1.27 N ATOM 747 NH2 ARG A 51 -0.367 8.219 6.642 1.00 2.84 N ATOM 0 H ARG A 51 -2.833 2.019 8.196 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.620 3.939 9.248 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -2.481 4.068 7.085 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -3.246 5.475 7.797 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -2.280 4.994 9.965 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.680 3.442 9.413 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.089 5.188 9.444 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.155 4.506 7.848 1.00 0.70 H new ATOM 0 HE ARG A 51 -1.628 7.013 8.450 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.181 5.441 6.991 1.00 1.27 H new ATOM 0 HH12 ARG A 51 1.528 6.791 5.906 1.00 1.27 H new ATOM 0 HH21 ARG A 51 -1.168 8.738 7.001 1.00 2.84 H new ATOM 0 HH22 ARG A 51 0.219 8.626 5.913 1.00 2.84 H new ATOM 761 N LEU A 52 -4.973 3.070 6.124 1.00 0.32 N ATOM 762 CA LEU A 52 -5.811 3.101 4.956 1.00 0.34 C ATOM 763 C LEU A 52 -7.212 2.567 5.291 1.00 0.33 C ATOM 764 O LEU A 52 -8.218 3.201 4.963 1.00 0.37 O ATOM 765 CB LEU A 52 -5.134 2.300 3.844 1.00 0.35 C ATOM 766 CG LEU A 52 -3.710 2.767 3.498 1.00 0.43 C ATOM 767 CD1 LEU A 52 -3.051 1.838 2.500 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.718 4.202 2.980 1.00 0.69 C ATOM 0 H LEU A 52 -4.196 2.413 6.052 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.942 4.126 4.608 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -5.097 1.251 4.140 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.750 2.357 2.946 1.00 0.35 H new ATOM 0 HG LEU A 52 -3.122 2.739 4.415 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -2.046 2.197 2.277 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.993 0.834 2.921 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.639 1.813 1.583 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.699 4.509 2.742 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.334 4.261 2.082 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -4.127 4.863 3.745 1.00 0.69 H new ATOM 780 N GLU A 53 -7.267 1.419 5.967 1.00 0.29 N ATOM 781 CA GLU A 53 -8.532 0.836 6.431 1.00 0.32 C ATOM 782 C GLU A 53 -9.259 1.814 7.347 1.00 0.35 C ATOM 783 O GLU A 53 -10.480 1.972 7.264 1.00 0.42 O ATOM 784 CB GLU A 53 -8.306 -0.487 7.168 1.00 0.32 C ATOM 785 CG GLU A 53 -7.681 -1.576 6.324 1.00 0.34 C ATOM 786 CD GLU A 53 -7.586 -2.887 7.060 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.614 -3.102 7.824 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.472 -3.731 6.885 1.00 0.48 O ATOM 0 H GLU A 53 -6.443 0.868 6.208 1.00 0.29 H new ATOM 0 HA GLU A 53 -9.143 0.635 5.551 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.667 -0.303 8.032 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -9.263 -0.844 7.549 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -8.270 -1.713 5.417 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.684 -1.264 6.012 1.00 0.34 H new ATOM 795 N SER A 54 -8.486 2.471 8.197 1.00 0.35 N ATOM 796 CA SER A 54 -8.989 3.466 9.118 1.00 0.41 C ATOM 797 C SER A 54 -9.637 4.654 8.355 1.00 0.45 C ATOM 798 O SER A 54 -10.859 4.842 8.412 1.00 0.55 O ATOM 799 CB SER A 54 -7.825 3.943 10.023 1.00 0.47 C ATOM 800 OG SER A 54 -8.238 4.887 10.997 1.00 1.19 O ATOM 0 H SER A 54 -7.479 2.323 8.264 1.00 0.35 H new ATOM 0 HA SER A 54 -9.769 3.026 9.740 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.383 3.081 10.523 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.046 4.385 9.402 1.00 0.47 H new ATOM 0 HG SER A 54 -7.468 5.154 11.541 1.00 1.19 H new ATOM 806 N ARG A 55 -8.832 5.390 7.586 1.00 0.44 N ATOM 807 CA ARG A 55 -9.300 6.595 6.893 1.00 0.54 C ATOM 808 C ARG A 55 -10.374 6.312 5.845 1.00 0.56 C ATOM 809 O ARG A 55 -11.362 7.042 5.749 1.00 0.68 O ATOM 810 CB ARG A 55 -8.138 7.351 6.224 1.00 0.63 C ATOM 811 CG ARG A 55 -8.602 8.555 5.397 1.00 0.83 C ATOM 812 CD ARG A 55 -7.470 9.241 4.657 1.00 1.08 C ATOM 813 NE ARG A 55 -6.558 9.965 5.537 1.00 1.65 N ATOM 814 CZ ARG A 55 -5.721 10.936 5.136 1.00 2.21 C ATOM 815 NH1 ARG A 55 -5.630 11.272 3.844 1.00 2.35 N ATOM 816 NH2 ARG A 55 -4.998 11.580 6.024 1.00 3.07 N ATOM 0 H ARG A 55 -7.848 5.172 7.426 1.00 0.44 H new ATOM 0 HA ARG A 55 -9.745 7.214 7.672 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -7.444 7.691 6.992 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -7.589 6.665 5.579 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -9.352 8.226 4.677 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -9.087 9.276 6.056 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -6.907 8.495 4.097 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -7.890 9.936 3.930 1.00 1.08 H new ATOM 0 HE ARG A 55 -6.556 9.716 6.526 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -6.200 10.789 3.150 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -4.990 12.011 3.553 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -5.074 11.342 7.013 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -4.361 12.318 5.725 1.00 3.07 H new ATOM 830 N TYR A 56 -10.204 5.258 5.090 1.00 0.50 N ATOM 831 CA TYR A 56 -11.077 5.027 3.959 1.00 0.57 C ATOM 832 C TYR A 56 -12.262 4.142 4.296 1.00 0.61 C ATOM 833 O TYR A 56 -13.149 3.946 3.465 1.00 0.74 O ATOM 834 CB TYR A 56 -10.285 4.486 2.760 1.00 0.62 C ATOM 835 CG TYR A 56 -9.205 5.441 2.286 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.516 6.551 1.514 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.870 5.210 2.586 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.532 7.402 1.056 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.881 6.060 2.138 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.241 7.226 1.463 1.00 0.91 C ATOM 841 OH TYR A 56 -6.233 7.990 0.905 1.00 1.01 O ATOM 0 H TYR A 56 -9.481 4.552 5.231 1.00 0.50 H new ATOM 0 HA TYR A 56 -11.498 5.994 3.682 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.828 3.535 3.032 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.972 4.286 1.938 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.548 6.752 1.267 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.601 4.350 3.181 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -8.782 8.205 0.378 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.840 5.826 2.308 1.00 0.85 H new ATOM 0 HH TYR A 56 -5.374 7.741 1.305 1.00 1.01 H new ATOM 851 N GLY A 57 -12.295 3.634 5.514 1.00 0.58 N ATOM 852 CA GLY A 57 -13.405 2.795 5.947 1.00 0.66 C ATOM 853 C GLY A 57 -13.472 1.484 5.191 1.00 0.71 C ATOM 854 O GLY A 57 -14.546 0.881 5.054 1.00 0.93 O ATOM 0 H GLY A 57 -11.573 3.784 6.219 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -13.307 2.591 7.013 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -14.341 3.337 5.811 1.00 0.66 H new ATOM 858 N VAL A 58 -12.336 1.046 4.699 1.00 0.60 N ATOM 859 CA VAL A 58 -12.259 -0.179 3.944 1.00 0.65 C ATOM 860 C VAL A 58 -11.772 -1.318 4.817 1.00 0.60 C ATOM 861 O VAL A 58 -11.387 -1.093 5.963 1.00 0.70 O ATOM 862 CB VAL A 58 -11.414 -0.050 2.642 1.00 0.69 C ATOM 863 CG1 VAL A 58 -12.085 0.911 1.687 1.00 1.09 C ATOM 864 CG2 VAL A 58 -9.994 0.429 2.937 1.00 1.16 C ATOM 0 H VAL A 58 -11.444 1.528 4.811 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.273 -0.406 3.614 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.349 -1.039 2.188 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -11.489 0.997 0.778 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -13.079 0.540 1.436 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -12.172 1.890 2.158 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -9.435 0.507 2.004 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -10.032 1.406 3.420 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -9.500 -0.283 3.598 1.00 1.16 H new ATOM 874 N SER A 59 -11.770 -2.506 4.296 1.00 0.62 N ATOM 875 CA SER A 59 -11.399 -3.660 5.064 1.00 0.67 C ATOM 876 C SER A 59 -10.593 -4.661 4.241 1.00 0.59 C ATOM 877 O SER A 59 -11.093 -5.255 3.278 1.00 0.72 O ATOM 878 CB SER A 59 -12.662 -4.279 5.665 1.00 0.92 C ATOM 879 OG SER A 59 -13.744 -4.251 4.723 1.00 1.87 O ATOM 0 H SER A 59 -12.025 -2.706 3.329 1.00 0.62 H new ATOM 0 HA SER A 59 -10.737 -3.355 5.875 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.461 -5.308 5.963 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.945 -3.735 6.566 1.00 0.92 H new ATOM 0 HG SER A 59 -14.541 -4.653 5.128 1.00 1.87 H new ATOM 885 N ILE A 60 -9.358 -4.823 4.609 1.00 0.48 N ATOM 886 CA ILE A 60 -8.458 -5.719 3.939 1.00 0.45 C ATOM 887 C ILE A 60 -8.294 -6.970 4.795 1.00 0.51 C ATOM 888 O ILE A 60 -8.043 -6.861 5.998 1.00 0.57 O ATOM 889 CB ILE A 60 -7.067 -5.051 3.736 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.220 -3.717 2.990 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.123 -5.983 2.971 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.932 -2.936 2.856 1.00 0.41 C ATOM 0 H ILE A 60 -8.938 -4.329 5.396 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.866 -5.973 2.961 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.634 -4.857 4.717 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.619 -3.913 1.995 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.953 -3.102 3.512 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.157 -5.495 2.841 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.990 -6.907 3.533 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.549 -6.211 1.994 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.124 -2.008 2.318 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.541 -2.707 3.847 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.202 -3.530 2.306 1.00 0.41 H new ATOM 904 N PRO A 61 -8.504 -8.165 4.226 1.00 0.58 N ATOM 905 CA PRO A 61 -8.277 -9.425 4.940 1.00 0.66 C ATOM 906 C PRO A 61 -6.808 -9.547 5.369 1.00 0.56 C ATOM 907 O PRO A 61 -5.901 -9.239 4.579 1.00 0.44 O ATOM 908 CB PRO A 61 -8.623 -10.492 3.898 1.00 0.78 C ATOM 909 CG PRO A 61 -9.524 -9.797 2.942 1.00 0.87 C ATOM 910 CD PRO A 61 -9.020 -8.391 2.865 1.00 0.66 C ATOM 0 HA PRO A 61 -8.868 -9.510 5.852 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.728 -10.866 3.400 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.115 -11.350 4.356 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.501 -10.276 1.963 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.558 -9.825 3.287 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.240 -8.280 2.111 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.813 -7.688 2.609 1.00 0.66 H new ATOM 918 N ASP A 62 -6.587 -9.996 6.606 1.00 0.67 N ATOM 919 CA ASP A 62 -5.232 -10.091 7.213 1.00 0.67 C ATOM 920 C ASP A 62 -4.256 -10.853 6.353 1.00 0.54 C ATOM 921 O ASP A 62 -3.116 -10.423 6.174 1.00 0.52 O ATOM 922 CB ASP A 62 -5.254 -10.736 8.605 1.00 0.90 C ATOM 923 CG ASP A 62 -5.961 -9.923 9.655 1.00 1.18 C ATOM 924 OD1 ASP A 62 -7.190 -10.005 9.759 1.00 1.29 O ATOM 925 OD2 ASP A 62 -5.292 -9.161 10.380 1.00 1.83 O ATOM 0 H ASP A 62 -7.334 -10.307 7.226 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.899 -9.057 7.298 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -5.735 -11.711 8.533 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -4.228 -10.910 8.928 1.00 0.90 H new ATOM 930 N ASP A 63 -4.716 -11.958 5.769 1.00 0.56 N ATOM 931 CA ASP A 63 -3.838 -12.804 4.958 1.00 0.55 C ATOM 932 C ASP A 63 -3.441 -12.092 3.699 1.00 0.44 C ATOM 933 O ASP A 63 -2.356 -12.228 3.248 1.00 0.46 O ATOM 934 CB ASP A 63 -4.488 -14.156 4.616 1.00 0.75 C ATOM 935 CG ASP A 63 -3.594 -15.041 3.745 1.00 1.54 C ATOM 936 OD1 ASP A 63 -2.589 -15.591 4.259 1.00 1.84 O ATOM 937 OD2 ASP A 63 -3.880 -15.186 2.539 1.00 2.34 O ATOM 0 H ASP A 63 -5.679 -12.287 5.840 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.949 -13.008 5.554 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -4.725 -14.684 5.540 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.431 -13.980 4.099 1.00 0.75 H new ATOM 942 N VAL A 64 -4.321 -11.270 3.187 1.00 0.41 N ATOM 943 CA VAL A 64 -4.040 -10.513 1.977 1.00 0.40 C ATOM 944 C VAL A 64 -3.073 -9.374 2.312 1.00 0.34 C ATOM 945 O VAL A 64 -2.086 -9.162 1.611 1.00 0.41 O ATOM 946 CB VAL A 64 -5.348 -9.940 1.361 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.058 -9.128 0.104 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.319 -11.065 1.041 1.00 0.66 C ATOM 0 H VAL A 64 -5.245 -11.102 3.586 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.587 -11.178 1.242 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.801 -9.276 2.098 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -5.992 -8.741 -0.303 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.398 -8.297 0.352 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -4.576 -9.765 -0.637 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.230 -10.648 0.611 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -5.860 -11.749 0.327 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.564 -11.605 1.955 1.00 0.66 H new ATOM 958 N ALA A 65 -3.352 -8.690 3.416 1.00 0.33 N ATOM 959 CA ALA A 65 -2.562 -7.544 3.881 1.00 0.39 C ATOM 960 C ALA A 65 -1.080 -7.889 4.066 1.00 0.41 C ATOM 961 O ALA A 65 -0.214 -7.062 3.804 1.00 0.51 O ATOM 962 CB ALA A 65 -3.143 -6.999 5.181 1.00 0.46 C ATOM 0 H ALA A 65 -4.140 -8.914 4.023 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.618 -6.779 3.107 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.549 -6.149 5.517 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -4.172 -6.680 5.014 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -3.124 -7.778 5.943 1.00 0.46 H new ATOM 968 N GLY A 66 -0.798 -9.102 4.503 1.00 0.40 N ATOM 969 CA GLY A 66 0.574 -9.510 4.703 1.00 0.48 C ATOM 970 C GLY A 66 1.057 -10.497 3.656 1.00 0.48 C ATOM 971 O GLY A 66 2.010 -11.252 3.895 1.00 0.61 O ATOM 0 H GLY A 66 -1.495 -9.813 4.724 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.215 -8.629 4.687 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.674 -9.959 5.691 1.00 0.48 H new ATOM 975 N ARG A 67 0.417 -10.499 2.501 1.00 0.43 N ATOM 976 CA ARG A 67 0.782 -11.420 1.424 1.00 0.48 C ATOM 977 C ARG A 67 0.840 -10.682 0.087 1.00 0.36 C ATOM 978 O ARG A 67 1.098 -11.269 -0.971 1.00 0.40 O ATOM 979 CB ARG A 67 -0.237 -12.538 1.390 1.00 0.64 C ATOM 980 CG ARG A 67 0.000 -13.680 0.450 1.00 1.16 C ATOM 981 CD ARG A 67 -1.105 -14.686 0.637 1.00 1.45 C ATOM 982 NE ARG A 67 -1.005 -15.809 -0.269 1.00 2.16 N ATOM 983 CZ ARG A 67 -1.738 -16.923 -0.167 1.00 3.05 C ATOM 984 NH1 ARG A 67 -2.635 -17.064 0.820 1.00 3.43 N ATOM 985 NH2 ARG A 67 -1.607 -17.883 -1.061 1.00 3.98 N ATOM 0 H ARG A 67 -0.359 -9.876 2.278 1.00 0.43 H new ATOM 0 HA ARG A 67 1.772 -11.838 1.605 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -0.318 -12.946 2.397 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.205 -12.100 1.145 1.00 0.64 H new ATOM 0 HG2 ARG A 67 0.020 -13.325 -0.580 1.00 1.16 H new ATOM 0 HG3 ARG A 67 0.969 -14.139 0.648 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -1.086 -15.052 1.664 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -2.066 -14.193 0.492 1.00 1.45 H new ATOM 0 HE ARG A 67 -0.333 -15.747 -1.034 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -2.764 -16.317 1.503 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -3.189 -17.918 0.888 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -0.946 -17.776 -1.831 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -2.166 -18.732 -0.983 1.00 3.98 H new ATOM 999 N VAL A 68 0.560 -9.407 0.126 1.00 0.33 N ATOM 1000 CA VAL A 68 0.712 -8.577 -1.037 1.00 0.34 C ATOM 1001 C VAL A 68 2.187 -8.248 -1.198 1.00 0.35 C ATOM 1002 O VAL A 68 2.759 -7.479 -0.447 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.180 -7.306 -0.989 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.632 -7.684 -1.248 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.073 -6.599 0.351 1.00 0.41 C ATOM 0 H VAL A 68 0.224 -8.919 0.956 1.00 0.33 H new ATOM 0 HA VAL A 68 0.365 -9.123 -1.914 1.00 0.34 H new ATOM 0 HB VAL A 68 0.171 -6.623 -1.763 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.253 -6.789 -1.213 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.718 -8.147 -2.231 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.966 -8.387 -0.485 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.710 -5.715 0.348 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.393 -7.274 1.145 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.961 -6.300 0.523 1.00 0.41 H new ATOM 1015 N ASP A 69 2.796 -8.942 -2.107 1.00 0.36 N ATOM 1016 CA ASP A 69 4.233 -8.885 -2.343 1.00 0.40 C ATOM 1017 C ASP A 69 4.551 -7.828 -3.346 1.00 0.32 C ATOM 1018 O ASP A 69 5.623 -7.197 -3.310 1.00 0.32 O ATOM 1019 CB ASP A 69 4.692 -10.236 -2.864 1.00 0.57 C ATOM 1020 CG ASP A 69 6.190 -10.397 -2.991 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.939 -10.035 -2.055 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.632 -10.948 -4.023 1.00 1.91 O ATOM 0 H ASP A 69 2.309 -9.586 -2.730 1.00 0.36 H new ATOM 0 HA ASP A 69 4.746 -8.645 -1.412 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.313 -11.013 -2.199 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.240 -10.404 -3.841 1.00 0.57 H new ATOM 1027 N THR A 70 3.632 -7.616 -4.228 1.00 0.32 N ATOM 1028 CA THR A 70 3.810 -6.653 -5.233 1.00 0.31 C ATOM 1029 C THR A 70 2.800 -5.525 -5.056 1.00 0.27 C ATOM 1030 O THR A 70 1.597 -5.774 -4.851 1.00 0.29 O ATOM 1031 CB THR A 70 3.770 -7.302 -6.633 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.556 -8.057 -6.806 1.00 0.45 O ATOM 1033 CG2 THR A 70 4.959 -8.241 -6.775 1.00 0.47 C ATOM 0 H THR A 70 2.741 -8.111 -4.262 1.00 0.32 H new ATOM 0 HA THR A 70 4.801 -6.207 -5.142 1.00 0.31 H new ATOM 0 HB THR A 70 3.809 -6.517 -7.388 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.546 -8.460 -7.699 1.00 0.45 H new ATOM 0 HG21 THR A 70 4.940 -8.705 -7.761 1.00 0.47 H new ATOM 0 HG22 THR A 70 5.884 -7.677 -6.657 1.00 0.47 H new ATOM 0 HG23 THR A 70 4.905 -9.014 -6.009 1.00 0.47 H new ATOM 1041 N PRO A 71 3.290 -4.268 -5.083 1.00 0.25 N ATOM 1042 CA PRO A 71 2.483 -3.065 -4.846 1.00 0.24 C ATOM 1043 C PRO A 71 1.188 -3.036 -5.629 1.00 0.21 C ATOM 1044 O PRO A 71 0.141 -2.747 -5.074 1.00 0.25 O ATOM 1045 CB PRO A 71 3.401 -1.936 -5.283 1.00 0.29 C ATOM 1046 CG PRO A 71 4.768 -2.460 -5.040 1.00 0.32 C ATOM 1047 CD PRO A 71 4.707 -3.928 -5.315 1.00 0.30 C ATOM 0 HA PRO A 71 2.162 -3.003 -3.806 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.252 -1.686 -6.333 1.00 0.29 H new ATOM 0 HB3 PRO A 71 3.215 -1.028 -4.710 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.493 -1.972 -5.691 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.081 -2.269 -4.014 1.00 0.32 H new ATOM 0 HD2 PRO A 71 5.012 -4.157 -6.336 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.367 -4.488 -4.652 1.00 0.30 H new ATOM 1055 N ARG A 72 1.269 -3.346 -6.910 1.00 0.22 N ATOM 1056 CA ARG A 72 0.102 -3.363 -7.791 1.00 0.26 C ATOM 1057 C ARG A 72 -1.043 -4.238 -7.293 1.00 0.25 C ATOM 1058 O ARG A 72 -2.183 -3.854 -7.420 1.00 0.29 O ATOM 1059 CB ARG A 72 0.487 -3.640 -9.240 1.00 0.40 C ATOM 1060 CG ARG A 72 1.361 -4.821 -9.436 1.00 0.92 C ATOM 1061 CD ARG A 72 2.004 -4.790 -10.807 1.00 0.95 C ATOM 1062 NE ARG A 72 3.018 -5.798 -10.866 1.00 0.67 N ATOM 1063 CZ ARG A 72 4.057 -5.860 -11.710 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.239 -4.927 -12.628 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.943 -6.855 -11.604 1.00 1.29 N ATOM 0 H ARG A 72 2.143 -3.594 -7.375 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.305 -2.352 -7.762 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.424 -3.779 -9.823 1.00 0.40 H new ATOM 0 HB3 ARG A 72 0.992 -2.761 -9.641 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.133 -4.840 -8.667 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.777 -5.734 -9.323 1.00 0.92 H new ATOM 0 HD2 ARG A 72 1.254 -4.964 -11.579 1.00 0.95 H new ATOM 0 HD3 ARG A 72 2.437 -3.808 -10.998 1.00 0.95 H new ATOM 0 HE ARG A 72 2.941 -6.556 -10.188 1.00 0.67 H new ATOM 0 HH11 ARG A 72 3.585 -4.148 -12.700 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.034 -4.986 -13.264 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.828 -7.566 -10.881 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.734 -6.904 -12.246 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.732 -5.382 -6.685 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.765 -6.275 -6.163 1.00 0.28 C ATOM 1081 C GLU A 73 -2.502 -5.634 -5.010 1.00 0.26 C ATOM 1082 O GLU A 73 -3.737 -5.682 -4.933 1.00 0.28 O ATOM 1083 CB GLU A 73 -1.172 -7.609 -5.742 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.644 -8.420 -6.900 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.729 -8.765 -7.884 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.974 -7.981 -8.827 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -2.355 -9.815 -7.741 1.00 1.24 O ATOM 0 H GLU A 73 0.223 -5.711 -6.542 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.480 -6.459 -6.965 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.363 -7.432 -5.033 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.933 -8.188 -5.219 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.142 -7.860 -7.407 1.00 0.44 H new ATOM 0 HG3 GLU A 73 -0.190 -9.337 -6.524 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.742 -5.013 -4.136 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.279 -4.332 -2.978 1.00 0.28 C ATOM 1096 C LEU A 74 -3.045 -3.089 -3.430 1.00 0.26 C ATOM 1097 O LEU A 74 -4.159 -2.836 -2.972 1.00 0.29 O ATOM 1098 CB LEU A 74 -1.116 -4.010 -1.988 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.443 -3.317 -0.637 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.647 -1.838 -0.807 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.664 -3.952 0.027 1.00 0.90 C ATOM 0 H LEU A 74 -0.726 -4.966 -4.209 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.989 -4.965 -2.445 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.608 -4.948 -1.762 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.401 -3.379 -2.516 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.582 -3.463 0.015 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.874 -1.388 0.160 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.740 -1.390 -1.212 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.476 -1.661 -1.493 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.869 -3.446 0.971 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.527 -3.856 -0.631 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -2.468 -5.007 0.216 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.445 -2.345 -4.341 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.038 -1.148 -4.916 1.00 0.23 C ATOM 1115 C LEU A 75 -4.389 -1.497 -5.531 1.00 0.24 C ATOM 1116 O LEU A 75 -5.403 -0.867 -5.233 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.102 -0.573 -5.986 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.487 0.781 -6.560 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.497 1.819 -5.461 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -1.523 1.182 -7.662 1.00 0.34 C ATOM 0 H LEU A 75 -1.518 -2.557 -4.709 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.184 -0.400 -4.136 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.103 -0.492 -5.559 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.041 -1.288 -6.807 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.487 0.713 -6.989 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -2.773 2.787 -5.878 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.220 1.533 -4.697 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.505 1.886 -5.015 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -1.812 2.154 -8.063 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -0.513 1.243 -7.257 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -1.551 0.438 -8.458 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.385 -2.544 -6.342 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.584 -3.071 -6.994 1.00 0.25 C ATOM 1134 C ASP A 76 -6.649 -3.447 -5.980 1.00 0.27 C ATOM 1135 O ASP A 76 -7.821 -3.086 -6.135 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.230 -4.298 -7.837 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.441 -5.017 -8.366 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.013 -4.575 -9.384 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.851 -6.026 -7.776 1.00 0.57 O ATOM 0 H ASP A 76 -3.537 -3.063 -6.572 1.00 0.22 H new ATOM 0 HA ASP A 76 -5.982 -2.285 -7.636 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.604 -3.989 -8.674 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.639 -4.988 -7.234 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.231 -4.146 -4.933 1.00 0.30 N ATOM 1145 CA LEU A 77 -7.135 -4.602 -3.882 1.00 0.36 C ATOM 1146 C LEU A 77 -7.785 -3.390 -3.216 1.00 0.34 C ATOM 1147 O LEU A 77 -8.999 -3.332 -3.065 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.343 -5.481 -2.858 1.00 0.47 C ATOM 1149 CG LEU A 77 -7.128 -6.296 -1.781 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.782 -5.418 -0.719 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -8.159 -7.206 -2.438 1.00 1.96 C ATOM 0 H LEU A 77 -5.257 -4.413 -4.787 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.929 -5.219 -4.302 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.742 -6.188 -3.430 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.649 -4.825 -2.331 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.390 -6.908 -1.262 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -8.311 -6.047 -0.002 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -7.015 -4.842 -0.200 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.488 -4.737 -1.194 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.694 -7.764 -1.670 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.866 -6.603 -3.007 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.655 -7.903 -3.108 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.981 -2.400 -2.877 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.495 -1.213 -2.228 1.00 0.34 C ATOM 1165 C ILE A 78 -8.338 -0.362 -3.192 1.00 0.31 C ATOM 1166 O ILE A 78 -9.272 0.310 -2.780 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.374 -0.383 -1.534 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.681 -1.254 -0.482 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -6.941 0.877 -0.883 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.581 -0.557 0.283 1.00 0.55 C ATOM 0 H ILE A 78 -5.974 -2.395 -3.040 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.160 -1.549 -1.432 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.652 -0.070 -2.289 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.429 -1.610 0.226 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.264 -2.133 -0.974 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.135 1.435 -0.407 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.413 1.499 -1.644 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.681 0.598 -0.133 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.146 -1.248 1.006 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.809 -0.225 -0.411 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.993 0.305 0.807 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.046 -0.438 -4.478 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.876 0.250 -5.472 1.00 0.31 C ATOM 1184 C ASN A 79 -10.240 -0.392 -5.540 1.00 0.32 C ATOM 1185 O ASN A 79 -11.258 0.299 -5.619 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.228 0.313 -6.869 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.185 1.422 -7.017 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.991 1.958 -8.098 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.519 1.775 -5.948 1.00 0.52 N ATOM 0 H ASN A 79 -7.257 -0.957 -4.862 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.976 1.284 -5.141 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.758 -0.646 -7.084 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -9.009 0.460 -7.615 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.818 2.514 -6.005 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.700 1.311 -5.058 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.258 -1.715 -5.448 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.503 -2.452 -5.418 1.00 0.42 C ATOM 1198 C GLY A 80 -12.263 -2.170 -4.140 1.00 0.45 C ATOM 1199 O GLY A 80 -13.472 -1.967 -4.155 1.00 0.53 O ATOM 0 H GLY A 80 -9.421 -2.295 -5.393 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.114 -2.178 -6.278 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.301 -3.520 -5.498 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.530 -2.079 -3.042 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.111 -1.799 -1.743 1.00 0.52 C ATOM 1205 C ALA A 81 -12.691 -0.389 -1.710 1.00 0.51 C ATOM 1206 O ALA A 81 -13.788 -0.176 -1.208 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.068 -1.981 -0.651 1.00 0.59 C ATOM 0 H ALA A 81 -10.517 -2.197 -3.028 1.00 0.44 H new ATOM 0 HA ALA A 81 -12.923 -2.503 -1.563 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.516 -1.768 0.319 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -10.703 -3.008 -0.664 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.237 -1.298 -0.824 1.00 0.59 H new ATOM 1213 N LEU A 82 -11.971 0.572 -2.274 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.461 1.942 -2.368 1.00 0.56 C ATOM 1215 C LEU A 82 -13.611 2.065 -3.350 1.00 0.59 C ATOM 1216 O LEU A 82 -14.443 2.936 -3.218 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.344 2.951 -2.695 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.658 3.634 -1.497 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -11.662 4.456 -0.713 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -9.981 2.630 -0.592 1.00 1.10 C ATOM 0 H LEU A 82 -11.044 0.428 -2.674 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.839 2.196 -1.378 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.580 2.436 -3.277 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.763 3.727 -3.335 1.00 0.63 H new ATOM 0 HG LEU A 82 -9.887 4.295 -1.892 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -11.163 4.933 0.130 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -12.091 5.221 -1.360 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -12.456 3.806 -0.345 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.509 3.151 0.241 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -10.722 1.929 -0.208 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -9.223 2.085 -1.155 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.658 1.195 -4.340 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.787 1.176 -5.256 1.00 0.67 C ATOM 1234 C ALA A 83 -16.060 0.817 -4.489 1.00 0.72 C ATOM 1235 O ALA A 83 -17.141 1.326 -4.768 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.549 0.190 -6.392 1.00 0.76 C ATOM 0 H ALA A 83 -12.938 0.499 -4.532 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.901 2.167 -5.696 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.408 0.194 -7.063 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.655 0.480 -6.944 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.414 -0.811 -5.983 1.00 0.76 H new ATOM 1242 N GLU A 84 -15.895 -0.012 -3.490 1.00 0.77 N ATOM 1243 CA GLU A 84 -16.987 -0.500 -2.689 1.00 0.95 C ATOM 1244 C GLU A 84 -17.302 0.403 -1.497 1.00 1.08 C ATOM 1245 O GLU A 84 -18.414 0.904 -1.372 1.00 1.35 O ATOM 1246 CB GLU A 84 -16.653 -1.898 -2.195 1.00 1.11 C ATOM 1247 CG GLU A 84 -16.471 -2.901 -3.308 1.00 1.33 C ATOM 1248 CD GLU A 84 -17.747 -3.171 -4.041 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -18.146 -2.378 -4.900 1.00 2.44 O ATOM 1250 OE2 GLU A 84 -18.385 -4.204 -3.761 1.00 2.24 O ATOM 0 H GLU A 84 -14.984 -0.372 -3.206 1.00 0.77 H new ATOM 0 HA GLU A 84 -17.876 -0.512 -3.320 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -15.740 -1.857 -1.601 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -17.449 -2.241 -1.534 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -15.723 -2.531 -4.009 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.087 -3.834 -2.895 1.00 1.33 H new ATOM 1257 N ALA A 85 -16.321 0.631 -0.655 1.00 1.14 N ATOM 1258 CA ALA A 85 -16.531 1.312 0.622 1.00 1.38 C ATOM 1259 C ALA A 85 -16.334 2.835 0.566 1.00 1.73 C ATOM 1260 O ALA A 85 -16.148 3.479 1.602 1.00 2.12 O ATOM 1261 CB ALA A 85 -15.640 0.690 1.682 1.00 1.46 C ATOM 0 H ALA A 85 -15.354 0.355 -0.826 1.00 1.14 H new ATOM 0 HA ALA A 85 -17.580 1.171 0.880 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -15.797 1.198 2.633 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -15.886 -0.366 1.790 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -14.596 0.791 1.385 1.00 1.46 H new ATOM 1267 N ALA A 86 -16.378 3.414 -0.612 1.00 2.21 N ATOM 1268 CA ALA A 86 -16.319 4.861 -0.714 1.00 2.74 C ATOM 1269 C ALA A 86 -17.690 5.418 -0.452 1.00 3.28 C ATOM 1270 O ALA A 86 -18.566 5.290 -1.328 1.00 3.60 O ATOM 1271 CB ALA A 86 -15.802 5.331 -2.055 1.00 3.25 C ATOM 1272 OXT ALA A 86 -17.916 5.944 0.653 1.00 3.84 O ATOM 0 H ALA A 86 -16.453 2.919 -1.501 1.00 2.21 H new ATOM 0 HA ALA A 86 -15.611 5.226 0.030 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -15.779 6.421 -2.075 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -14.795 4.944 -2.213 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -16.458 4.967 -2.846 1.00 3.25 H new TER 1278 ALA A 86