USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 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 24 THR OG1 : rot 180:sc= 0.946 USER MOD Set 1.2: A 27 SER OG : rot 175:sc= 1.22 USER MOD Set 2.1: A 17 SER OG : rot -129:sc= 0.91 USER MOD Set 2.2: A 48 THR OG1 : rot 72:sc= 1.45 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.176 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -73:sc= 1.29 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -33:sc= 0.458 USER MOD Single : A 40 TYR OH : rot -137:sc= -0.502 USER MOD Single : A 46 MET CE :methyl -138:sc=-0.00424 (180deg=-0.58) USER MOD Single : A 54 SER OG : rot -83:sc= 1.08 USER MOD Single : A 56 TYR OH : rot -107:sc= 1.07 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -41:sc= 0.444 USER MOD Single : A 79 ASN : amide:sc= 0.907 K(o=0.91,f=-11!) USER MOD Single : A 87 SXH O33 : rot 38:sc= 0.355 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.050 -8.795 9.287 1.00 5.89 N ATOM 2 CA MET A 1 10.807 -9.929 8.392 1.00 5.39 C ATOM 3 C MET A 1 10.442 -9.426 7.017 1.00 4.66 C ATOM 4 O MET A 1 10.582 -8.233 6.738 1.00 4.91 O ATOM 5 CB MET A 1 9.674 -10.830 8.922 1.00 5.72 C ATOM 6 CG MET A 1 10.002 -11.593 10.189 1.00 6.12 C ATOM 7 SD MET A 1 11.366 -12.751 9.963 1.00 6.79 S ATOM 8 CE MET A 1 11.496 -13.434 11.615 1.00 7.46 C ATOM 0 H1 MET A 1 11.958 -8.928 9.777 1.00 5.89 H new ATOM 0 H2 MET A 1 11.081 -7.916 8.733 1.00 5.89 H new ATOM 0 H3 MET A 1 10.284 -8.735 9.988 1.00 5.89 H new ATOM 0 HA MET A 1 11.722 -10.519 8.343 1.00 5.39 H new ATOM 0 HB2 MET A 1 8.795 -10.212 9.105 1.00 5.72 H new ATOM 0 HB3 MET A 1 9.405 -11.545 8.145 1.00 5.72 H new ATOM 0 HG2 MET A 1 10.256 -10.887 10.979 1.00 6.12 H new ATOM 0 HG3 MET A 1 9.118 -12.138 10.521 1.00 6.12 H new ATOM 0 HE1 MET A 1 12.299 -14.171 11.642 1.00 7.46 H new ATOM 0 HE2 MET A 1 11.713 -12.634 12.323 1.00 7.46 H new ATOM 0 HE3 MET A 1 10.555 -13.913 11.886 1.00 7.46 H new ATOM 20 N ALA A 2 10.016 -10.356 6.161 1.00 4.17 N ATOM 21 CA ALA A 2 9.545 -10.095 4.815 1.00 3.77 C ATOM 22 C ALA A 2 10.652 -9.685 3.879 1.00 2.58 C ATOM 23 O ALA A 2 10.868 -8.496 3.617 1.00 2.61 O ATOM 24 CB ALA A 2 8.368 -9.121 4.769 1.00 4.69 C ATOM 0 H ALA A 2 9.992 -11.347 6.403 1.00 4.17 H new ATOM 0 HA ALA A 2 9.166 -11.050 4.452 1.00 3.77 H new ATOM 0 HB1 ALA A 2 8.063 -8.968 3.734 1.00 4.69 H new ATOM 0 HB2 ALA A 2 7.533 -9.532 5.336 1.00 4.69 H new ATOM 0 HB3 ALA A 2 8.668 -8.167 5.204 1.00 4.69 H new ATOM 30 N THR A 3 11.407 -10.659 3.444 1.00 2.17 N ATOM 31 CA THR A 3 12.416 -10.431 2.458 1.00 1.65 C ATOM 32 C THR A 3 11.700 -10.250 1.126 1.00 1.51 C ATOM 33 O THR A 3 11.193 -11.227 0.548 1.00 2.34 O ATOM 34 CB THR A 3 13.312 -11.655 2.374 1.00 2.61 C ATOM 35 OG1 THR A 3 13.688 -12.073 3.704 1.00 3.14 O ATOM 36 CG2 THR A 3 14.571 -11.348 1.565 1.00 3.14 C ATOM 0 H THR A 3 11.337 -11.625 3.764 1.00 2.17 H new ATOM 0 HA THR A 3 13.021 -9.558 2.705 1.00 1.65 H new ATOM 0 HB THR A 3 12.761 -12.453 1.877 1.00 2.61 H new ATOM 0 HG1 THR A 3 14.264 -12.864 3.648 1.00 3.14 H new ATOM 0 HG21 THR A 3 15.199 -12.238 1.517 1.00 3.14 H new ATOM 0 HG22 THR A 3 14.291 -11.047 0.556 1.00 3.14 H new ATOM 0 HG23 THR A 3 15.123 -10.540 2.044 1.00 3.14 H new ATOM 44 N LEU A 4 11.637 -9.002 0.679 1.00 1.02 N ATOM 45 CA LEU A 4 10.887 -8.579 -0.501 1.00 0.89 C ATOM 46 C LEU A 4 9.387 -8.679 -0.262 1.00 0.82 C ATOM 47 O LEU A 4 8.857 -9.733 0.081 1.00 1.00 O ATOM 48 CB LEU A 4 11.316 -9.298 -1.791 1.00 0.93 C ATOM 49 CG LEU A 4 12.755 -9.040 -2.241 1.00 1.05 C ATOM 50 CD1 LEU A 4 13.050 -9.784 -3.531 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.001 -7.546 -2.415 1.00 1.09 C ATOM 0 H LEU A 4 12.121 -8.231 1.140 1.00 1.02 H new ATOM 0 HA LEU A 4 11.133 -7.529 -0.662 1.00 0.89 H new ATOM 0 HB2 LEU A 4 11.185 -10.371 -1.649 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.643 -8.998 -2.594 1.00 0.93 H new ATOM 0 HG LEU A 4 13.429 -9.411 -1.469 1.00 1.05 H new ATOM 0 HD11 LEU A 4 14.078 -9.589 -3.837 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.915 -10.854 -3.373 1.00 1.31 H new ATOM 0 HD13 LEU A 4 12.369 -9.444 -4.311 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.030 -7.382 -2.735 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.319 -7.150 -3.167 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.830 -7.036 -1.467 1.00 1.09 H new ATOM 63 N LEU A 5 8.726 -7.584 -0.451 1.00 0.69 N ATOM 64 CA LEU A 5 7.321 -7.463 -0.216 1.00 0.62 C ATOM 65 C LEU A 5 6.590 -8.232 -1.296 1.00 0.51 C ATOM 66 O LEU A 5 6.829 -8.014 -2.492 1.00 0.50 O ATOM 67 CB LEU A 5 6.922 -5.977 -0.303 1.00 0.64 C ATOM 68 CG LEU A 5 5.503 -5.614 0.147 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.394 -5.647 1.646 1.00 1.14 C ATOM 70 CD2 LEU A 5 5.094 -4.262 -0.373 1.00 1.01 C ATOM 0 H LEU A 5 9.160 -6.723 -0.783 1.00 0.69 H new ATOM 0 HA LEU A 5 7.067 -7.855 0.769 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.626 -5.401 0.297 1.00 0.64 H new ATOM 0 HB3 LEU A 5 7.044 -5.653 -1.336 1.00 0.64 H new ATOM 0 HG LEU A 5 4.825 -6.359 -0.270 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.378 -5.386 1.943 1.00 1.14 H new ATOM 0 HD12 LEU A 5 5.631 -6.648 2.006 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.093 -4.931 2.078 1.00 1.14 H new ATOM 0 HD21 LEU A 5 4.083 -4.033 -0.037 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.781 -3.504 0.003 1.00 1.01 H new ATOM 0 HD23 LEU A 5 5.121 -4.268 -1.463 1.00 1.01 H new ATOM 82 N THR A 6 5.764 -9.150 -0.907 1.00 0.53 N ATOM 83 CA THR A 6 4.960 -9.838 -1.868 1.00 0.54 C ATOM 84 C THR A 6 3.610 -9.172 -1.891 1.00 0.47 C ATOM 85 O THR A 6 3.330 -8.329 -1.022 1.00 0.45 O ATOM 86 CB THR A 6 4.778 -11.338 -1.516 1.00 0.74 C ATOM 87 OG1 THR A 6 4.173 -11.469 -0.215 1.00 0.84 O ATOM 88 CG2 THR A 6 6.102 -12.058 -1.507 1.00 1.01 C ATOM 0 H THR A 6 5.628 -9.440 0.061 1.00 0.53 H new ATOM 0 HA THR A 6 5.455 -9.791 -2.838 1.00 0.54 H new ATOM 0 HB THR A 6 4.136 -11.782 -2.277 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.831 -11.244 0.476 1.00 0.84 H new ATOM 0 HG21 THR A 6 5.944 -13.107 -1.257 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.563 -11.985 -2.492 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.758 -11.603 -0.765 1.00 1.01 H new ATOM 96 N THR A 7 2.779 -9.518 -2.848 1.00 0.53 N ATOM 97 CA THR A 7 1.419 -9.041 -2.878 1.00 0.55 C ATOM 98 C THR A 7 0.680 -9.454 -1.578 1.00 0.49 C ATOM 99 O THR A 7 -0.216 -8.774 -1.127 1.00 0.47 O ATOM 100 CB THR A 7 0.681 -9.560 -4.128 1.00 0.73 C ATOM 101 OG1 THR A 7 1.515 -9.329 -5.286 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.648 -8.825 -4.324 1.00 0.95 C ATOM 0 H THR A 7 3.027 -10.134 -3.622 1.00 0.53 H new ATOM 0 HA THR A 7 1.433 -7.953 -2.934 1.00 0.55 H new ATOM 0 HB THR A 7 0.477 -10.623 -3.999 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.058 -9.656 -6.089 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.149 -9.210 -5.212 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.283 -8.983 -3.452 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.459 -7.759 -4.447 1.00 0.95 H new ATOM 110 N ASP A 8 1.129 -10.557 -0.965 1.00 0.57 N ATOM 111 CA ASP A 8 0.580 -11.043 0.306 1.00 0.61 C ATOM 112 C ASP A 8 0.986 -10.139 1.450 1.00 0.54 C ATOM 113 O ASP A 8 0.146 -9.730 2.263 1.00 0.53 O ATOM 114 CB ASP A 8 1.031 -12.475 0.620 1.00 0.81 C ATOM 115 CG ASP A 8 0.424 -13.517 -0.281 1.00 1.41 C ATOM 116 OD1 ASP A 8 -0.712 -13.943 -0.018 1.00 1.86 O ATOM 117 OD2 ASP A 8 1.094 -13.958 -1.253 1.00 2.14 O ATOM 0 H ASP A 8 1.882 -11.136 -1.336 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.504 -11.037 0.197 1.00 0.61 H new ATOM 0 HB2 ASP A 8 2.117 -12.529 0.542 1.00 0.81 H new ATOM 0 HB3 ASP A 8 0.774 -12.708 1.653 1.00 0.81 H new ATOM 122 N ASP A 9 2.280 -9.797 1.503 1.00 0.55 N ATOM 123 CA ASP A 9 2.804 -8.904 2.564 1.00 0.57 C ATOM 124 C ASP A 9 2.183 -7.538 2.397 1.00 0.50 C ATOM 125 O ASP A 9 1.918 -6.825 3.374 1.00 0.57 O ATOM 126 CB ASP A 9 4.335 -8.729 2.506 1.00 0.65 C ATOM 127 CG ASP A 9 5.135 -9.990 2.648 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.256 -10.492 3.780 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.634 -10.526 1.639 1.00 1.61 O ATOM 0 H ASP A 9 2.982 -10.117 0.836 1.00 0.55 H new ATOM 0 HA ASP A 9 2.552 -9.364 3.519 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.594 -8.260 1.557 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.634 -8.039 3.295 1.00 0.65 H new ATOM 134 N LEU A 10 1.965 -7.184 1.150 1.00 0.43 N ATOM 135 CA LEU A 10 1.318 -5.954 0.778 1.00 0.43 C ATOM 136 C LEU A 10 -0.124 -5.994 1.278 1.00 0.41 C ATOM 137 O LEU A 10 -0.527 -5.168 2.086 1.00 0.47 O ATOM 138 CB LEU A 10 1.339 -5.838 -0.761 1.00 0.46 C ATOM 139 CG LEU A 10 0.735 -4.583 -1.389 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.550 -3.362 -1.034 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.639 -4.746 -2.895 1.00 0.79 C ATOM 0 H LEU A 10 2.240 -7.758 0.353 1.00 0.43 H new ATOM 0 HA LEU A 10 1.830 -5.097 1.215 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.376 -5.910 -1.088 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.815 -6.702 -1.169 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.270 -4.444 -0.990 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.102 -2.480 -1.492 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.569 -3.239 0.049 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.568 -3.484 -1.403 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.207 -3.845 -3.332 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.635 -4.908 -3.308 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.006 -5.602 -3.129 1.00 0.79 H new ATOM 153 N ARG A 11 -0.849 -7.017 0.841 1.00 0.39 N ATOM 154 CA ARG A 11 -2.260 -7.221 1.149 1.00 0.44 C ATOM 155 C ARG A 11 -2.576 -7.095 2.622 1.00 0.44 C ATOM 156 O ARG A 11 -3.439 -6.317 2.988 1.00 0.48 O ATOM 157 CB ARG A 11 -2.762 -8.562 0.572 1.00 0.52 C ATOM 158 CG ARG A 11 -4.224 -8.863 0.855 1.00 0.70 C ATOM 159 CD ARG A 11 -4.754 -9.980 -0.037 1.00 0.85 C ATOM 160 NE ARG A 11 -4.051 -11.265 0.116 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.245 -12.331 -0.679 1.00 1.67 C ATOM 162 NH1 ARG A 11 -4.995 -12.227 -1.774 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.643 -13.470 -0.400 1.00 2.23 N ATOM 0 H ARG A 11 -0.461 -7.748 0.246 1.00 0.39 H new ATOM 0 HA ARG A 11 -2.803 -6.412 0.661 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.607 -8.559 -0.507 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.153 -9.369 0.979 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.341 -9.146 1.901 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -4.817 -7.962 0.701 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.812 -10.130 0.179 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.683 -9.662 -1.077 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.374 -11.351 0.874 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -5.426 -11.334 -2.014 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -5.138 -13.040 -2.373 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.034 -13.539 0.415 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.786 -14.283 -0.999 1.00 2.23 H new ATOM 177 N ARG A 12 -1.867 -7.829 3.460 1.00 0.47 N ATOM 178 CA ARG A 12 -2.126 -7.793 4.902 1.00 0.54 C ATOM 179 C ARG A 12 -1.954 -6.389 5.492 1.00 0.54 C ATOM 180 O ARG A 12 -2.804 -5.917 6.261 1.00 0.62 O ATOM 181 CB ARG A 12 -1.267 -8.792 5.657 1.00 0.64 C ATOM 182 CG ARG A 12 -1.490 -10.225 5.249 1.00 1.04 C ATOM 183 CD ARG A 12 -0.712 -11.175 6.134 1.00 1.27 C ATOM 184 NE ARG A 12 0.743 -10.933 6.108 1.00 1.78 N ATOM 185 CZ ARG A 12 1.650 -11.894 5.912 1.00 2.34 C ATOM 186 NH1 ARG A 12 1.256 -13.105 5.534 1.00 2.59 N ATOM 187 NH2 ARG A 12 2.943 -11.631 6.045 1.00 3.25 N ATOM 0 H ARG A 12 -1.112 -8.455 3.178 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.171 -8.079 5.026 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.217 -8.541 5.505 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.467 -8.694 6.724 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.553 -10.460 5.305 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.187 -10.361 4.211 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -1.071 -11.083 7.159 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.909 -12.199 5.818 1.00 1.27 H new ATOM 0 HE ARG A 12 1.075 -9.979 6.247 1.00 1.78 H new ATOM 0 HH11 ARG A 12 0.264 -13.298 5.394 1.00 2.59 H new ATOM 0 HH12 ARG A 12 1.945 -13.842 5.383 1.00 2.59 H new ATOM 0 HH21 ARG A 12 3.249 -10.691 6.298 1.00 3.25 H new ATOM 0 HH22 ARG A 12 3.632 -12.368 5.894 1.00 3.25 H new ATOM 201 N ALA A 13 -0.879 -5.718 5.113 1.00 0.52 N ATOM 202 CA ALA A 13 -0.604 -4.386 5.616 1.00 0.59 C ATOM 203 C ALA A 13 -1.662 -3.402 5.131 1.00 0.59 C ATOM 204 O ALA A 13 -2.162 -2.570 5.903 1.00 0.69 O ATOM 205 CB ALA A 13 0.782 -3.931 5.207 1.00 0.66 C ATOM 0 H ALA A 13 -0.183 -6.076 4.458 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.640 -4.418 6.705 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.966 -2.929 5.596 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.525 -4.619 5.611 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.854 -3.917 4.119 1.00 0.66 H new ATOM 211 N LEU A 14 -2.006 -3.532 3.880 1.00 0.52 N ATOM 212 CA LEU A 14 -2.994 -2.713 3.219 1.00 0.55 C ATOM 213 C LEU A 14 -4.404 -2.918 3.792 1.00 0.58 C ATOM 214 O LEU A 14 -5.053 -1.960 4.228 1.00 0.68 O ATOM 215 CB LEU A 14 -2.975 -3.044 1.713 1.00 0.52 C ATOM 216 CG LEU A 14 -1.916 -2.356 0.810 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.436 -1.038 0.311 1.00 1.30 C ATOM 218 CD2 LEU A 14 -0.588 -2.123 1.525 1.00 1.05 C ATOM 0 H LEU A 14 -1.593 -4.235 3.267 1.00 0.52 H new ATOM 0 HA LEU A 14 -2.741 -1.666 3.386 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -2.844 -4.121 1.613 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -3.959 -2.804 1.310 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.733 -3.036 -0.022 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -1.684 -0.566 -0.321 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.345 -1.201 -0.267 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -2.657 -0.389 1.159 1.00 1.30 H new ATOM 0 HD21 LEU A 14 0.112 -1.639 0.844 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -0.749 -1.484 2.393 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -0.177 -3.079 1.849 1.00 1.05 H new ATOM 230 N VAL A 15 -4.856 -4.160 3.824 1.00 0.57 N ATOM 231 CA VAL A 15 -6.241 -4.487 4.192 1.00 0.66 C ATOM 232 C VAL A 15 -6.575 -4.181 5.672 1.00 0.72 C ATOM 233 O VAL A 15 -7.739 -4.020 6.027 1.00 0.91 O ATOM 234 CB VAL A 15 -6.619 -5.968 3.828 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.983 -6.980 4.780 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.125 -6.167 3.729 1.00 1.01 C ATOM 0 H VAL A 15 -4.284 -4.974 3.598 1.00 0.57 H new ATOM 0 HA VAL A 15 -6.859 -3.822 3.589 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.202 -6.155 2.838 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.274 -7.989 4.487 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.898 -6.889 4.736 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -6.323 -6.786 5.797 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.339 -7.205 3.476 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.588 -5.924 4.686 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.528 -5.514 2.955 1.00 1.01 H new ATOM 246 N GLU A 16 -5.579 -4.108 6.527 1.00 0.66 N ATOM 247 CA GLU A 16 -5.853 -3.755 7.911 1.00 0.79 C ATOM 248 C GLU A 16 -5.863 -2.251 8.085 1.00 0.83 C ATOM 249 O GLU A 16 -6.466 -1.730 9.019 1.00 0.98 O ATOM 250 CB GLU A 16 -4.861 -4.382 8.877 1.00 0.94 C ATOM 251 CG GLU A 16 -4.843 -5.894 8.880 1.00 1.08 C ATOM 252 CD GLU A 16 -3.873 -6.426 9.895 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.640 -6.312 9.693 1.00 1.49 O ATOM 254 OE2 GLU A 16 -4.312 -7.011 10.895 1.00 1.71 O ATOM 0 H GLU A 16 -4.599 -4.282 6.303 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.839 -4.155 8.149 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.862 -4.022 8.633 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -5.088 -4.034 9.885 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -5.842 -6.271 9.096 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.572 -6.259 7.889 1.00 1.08 H new ATOM 261 N SER A 17 -5.214 -1.556 7.176 1.00 0.77 N ATOM 262 CA SER A 17 -5.106 -0.127 7.266 1.00 0.91 C ATOM 263 C SER A 17 -6.357 0.539 6.707 1.00 0.95 C ATOM 264 O SER A 17 -6.730 1.628 7.139 1.00 1.24 O ATOM 265 CB SER A 17 -3.856 0.359 6.522 1.00 0.98 C ATOM 266 OG SER A 17 -3.618 1.744 6.738 1.00 1.24 O ATOM 0 H SER A 17 -4.753 -1.966 6.364 1.00 0.77 H new ATOM 0 HA SER A 17 -5.013 0.150 8.316 1.00 0.91 H new ATOM 0 HB2 SER A 17 -2.990 -0.215 6.853 1.00 0.98 H new ATOM 0 HB3 SER A 17 -3.973 0.172 5.454 1.00 0.98 H new ATOM 0 HG SER A 17 -3.500 2.194 5.875 1.00 1.24 H new ATOM 272 N ALA A 18 -7.020 -0.125 5.778 1.00 0.83 N ATOM 273 CA ALA A 18 -8.175 0.435 5.130 1.00 0.94 C ATOM 274 C ALA A 18 -8.987 -0.653 4.487 1.00 1.41 C ATOM 275 O ALA A 18 -8.632 -1.824 4.555 1.00 2.05 O ATOM 276 CB ALA A 18 -7.738 1.406 4.066 1.00 1.05 C ATOM 0 H ALA A 18 -6.769 -1.061 5.458 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.780 0.947 5.878 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -8.615 1.829 3.577 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -7.155 2.207 4.521 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -7.126 0.887 3.328 1.00 1.05 H new ATOM 282 N GLY A 19 -10.049 -0.258 3.860 1.00 1.80 N ATOM 283 CA GLY A 19 -10.926 -1.154 3.195 1.00 2.47 C ATOM 284 C GLY A 19 -12.169 -0.421 2.847 1.00 2.48 C ATOM 285 O GLY A 19 -12.130 0.804 2.678 1.00 3.01 O ATOM 0 H GLY A 19 -10.333 0.720 3.798 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -10.454 -1.549 2.295 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -11.155 -2.006 3.835 1.00 2.47 H new ATOM 289 N GLU A 20 -13.261 -1.106 2.770 1.00 2.56 N ATOM 290 CA GLU A 20 -14.504 -0.468 2.472 1.00 2.99 C ATOM 291 C GLU A 20 -15.536 -1.035 3.444 1.00 3.37 C ATOM 292 O GLU A 20 -15.425 -2.206 3.859 1.00 3.90 O ATOM 293 CB GLU A 20 -14.896 -0.755 1.007 1.00 3.57 C ATOM 294 CG GLU A 20 -15.610 0.397 0.291 1.00 4.14 C ATOM 295 CD GLU A 20 -16.845 0.862 0.999 1.00 4.54 C ATOM 296 OE1 GLU A 20 -17.927 0.272 0.776 1.00 4.96 O ATOM 297 OE2 GLU A 20 -16.779 1.853 1.725 1.00 4.80 O ATOM 0 H GLU A 20 -13.320 -2.115 2.910 1.00 2.56 H new ATOM 0 HA GLU A 20 -14.440 0.614 2.584 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -13.995 -1.008 0.448 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -15.542 -1.633 0.985 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -14.921 1.235 0.190 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -15.876 0.079 -0.717 1.00 4.14 H new ATOM 304 N THR A 21 -16.537 -0.253 3.795 1.00 3.68 N ATOM 305 CA THR A 21 -17.537 -0.698 4.738 1.00 4.48 C ATOM 306 C THR A 21 -18.589 -1.597 4.047 1.00 4.44 C ATOM 307 O THR A 21 -19.586 -1.997 4.645 1.00 4.98 O ATOM 308 CB THR A 21 -18.181 0.488 5.543 1.00 5.48 C ATOM 309 OG1 THR A 21 -19.075 0.007 6.565 1.00 5.80 O ATOM 310 CG2 THR A 21 -18.924 1.447 4.629 1.00 6.23 C ATOM 0 H THR A 21 -16.678 0.693 3.440 1.00 3.68 H new ATOM 0 HA THR A 21 -17.031 -1.310 5.485 1.00 4.48 H new ATOM 0 HB THR A 21 -17.360 1.025 6.018 1.00 5.48 H new ATOM 0 HG1 THR A 21 -19.513 -0.814 6.257 1.00 5.80 H new ATOM 0 HG21 THR A 21 -19.356 2.254 5.222 1.00 6.23 H new ATOM 0 HG22 THR A 21 -18.231 1.864 3.899 1.00 6.23 H new ATOM 0 HG23 THR A 21 -19.720 0.912 4.110 1.00 6.23 H new ATOM 318 N ASP A 22 -18.308 -1.938 2.792 1.00 4.14 N ATOM 319 CA ASP A 22 -19.080 -2.918 2.034 1.00 4.35 C ATOM 320 C ASP A 22 -18.859 -4.282 2.631 1.00 4.02 C ATOM 321 O ASP A 22 -19.743 -5.131 2.652 1.00 4.29 O ATOM 322 CB ASP A 22 -18.612 -2.949 0.575 1.00 4.92 C ATOM 323 CG ASP A 22 -19.314 -4.012 -0.247 1.00 5.42 C ATOM 324 OD1 ASP A 22 -20.480 -3.805 -0.660 1.00 5.81 O ATOM 325 OD2 ASP A 22 -18.720 -5.059 -0.498 1.00 5.76 O ATOM 0 H ASP A 22 -17.530 -1.538 2.268 1.00 4.14 H new ATOM 0 HA ASP A 22 -20.134 -2.644 2.073 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -18.786 -1.973 0.122 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -17.537 -3.126 0.547 1.00 4.92 H new ATOM 330 N GLY A 23 -17.681 -4.471 3.138 1.00 3.87 N ATOM 331 CA GLY A 23 -17.318 -5.716 3.690 1.00 3.86 C ATOM 332 C GLY A 23 -16.176 -6.290 2.934 1.00 3.70 C ATOM 333 O GLY A 23 -15.039 -5.846 3.089 1.00 4.24 O ATOM 0 H GLY A 23 -16.951 -3.759 3.176 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -17.047 -5.594 4.739 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -18.167 -6.399 3.658 1.00 3.86 H new ATOM 337 N THR A 24 -16.469 -7.172 2.032 1.00 3.36 N ATOM 338 CA THR A 24 -15.443 -7.865 1.327 1.00 3.53 C ATOM 339 C THR A 24 -15.218 -7.249 -0.079 1.00 2.73 C ATOM 340 O THR A 24 -15.028 -7.954 -1.072 1.00 3.11 O ATOM 341 CB THR A 24 -15.755 -9.403 1.281 1.00 4.59 C ATOM 342 OG1 THR A 24 -14.635 -10.149 0.780 1.00 5.10 O ATOM 343 CG2 THR A 24 -16.996 -9.719 0.442 1.00 5.14 C ATOM 0 H THR A 24 -17.419 -7.430 1.766 1.00 3.36 H new ATOM 0 HA THR A 24 -14.501 -7.748 1.863 1.00 3.53 H new ATOM 0 HB THR A 24 -15.954 -9.704 2.310 1.00 4.59 H new ATOM 0 HG1 THR A 24 -14.858 -11.103 0.764 1.00 5.10 H new ATOM 0 HG21 THR A 24 -17.170 -10.795 0.441 1.00 5.14 H new ATOM 0 HG22 THR A 24 -17.862 -9.212 0.868 1.00 5.14 H new ATOM 0 HG23 THR A 24 -16.841 -9.376 -0.581 1.00 5.14 H new ATOM 351 N ASP A 25 -15.187 -5.924 -0.147 1.00 2.22 N ATOM 352 CA ASP A 25 -14.910 -5.256 -1.422 1.00 2.06 C ATOM 353 C ASP A 25 -13.434 -5.391 -1.719 1.00 1.66 C ATOM 354 O ASP A 25 -13.035 -6.035 -2.694 1.00 1.97 O ATOM 355 CB ASP A 25 -15.317 -3.779 -1.401 1.00 2.79 C ATOM 356 CG ASP A 25 -15.158 -3.121 -2.766 1.00 3.18 C ATOM 357 OD1 ASP A 25 -15.993 -3.349 -3.655 1.00 3.73 O ATOM 358 OD2 ASP A 25 -14.168 -2.361 -2.964 1.00 3.49 O ATOM 0 H ASP A 25 -15.346 -5.299 0.643 1.00 2.22 H new ATOM 0 HA ASP A 25 -15.503 -5.732 -2.203 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -16.354 -3.694 -1.077 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -14.709 -3.246 -0.669 1.00 2.79 H new ATOM 363 N LEU A 26 -12.631 -4.847 -0.831 1.00 1.45 N ATOM 364 CA LEU A 26 -11.200 -4.966 -0.911 1.00 1.10 C ATOM 365 C LEU A 26 -10.791 -6.329 -0.371 1.00 1.10 C ATOM 366 O LEU A 26 -10.553 -6.495 0.830 1.00 1.60 O ATOM 367 CB LEU A 26 -10.512 -3.839 -0.116 1.00 0.99 C ATOM 368 CG LEU A 26 -8.980 -3.908 -0.011 1.00 1.10 C ATOM 369 CD1 LEU A 26 -8.322 -3.778 -1.372 1.00 1.49 C ATOM 370 CD2 LEU A 26 -8.464 -2.847 0.940 1.00 1.62 C ATOM 0 H LEU A 26 -12.959 -4.307 -0.030 1.00 1.45 H new ATOM 0 HA LEU A 26 -10.886 -4.874 -1.951 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -10.780 -2.887 -0.574 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -10.923 -3.834 0.894 1.00 0.99 H new ATOM 0 HG LEU A 26 -8.718 -4.888 0.387 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -7.239 -3.831 -1.259 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -8.660 -4.588 -2.018 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -8.594 -2.821 -1.818 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -7.378 -2.911 1.002 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -8.749 -1.861 0.574 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -8.894 -3.005 1.929 1.00 1.62 H new ATOM 382 N SER A 27 -10.830 -7.311 -1.216 1.00 1.08 N ATOM 383 CA SER A 27 -10.460 -8.649 -0.860 1.00 1.10 C ATOM 384 C SER A 27 -9.904 -9.339 -2.080 1.00 1.13 C ATOM 385 O SER A 27 -10.362 -9.086 -3.196 1.00 1.60 O ATOM 386 CB SER A 27 -11.676 -9.421 -0.345 1.00 1.37 C ATOM 387 OG SER A 27 -12.306 -8.747 0.749 1.00 1.84 O ATOM 0 H SER A 27 -11.124 -7.206 -2.187 1.00 1.08 H new ATOM 0 HA SER A 27 -9.710 -8.618 -0.070 1.00 1.10 H new ATOM 0 HB2 SER A 27 -12.394 -9.551 -1.155 1.00 1.37 H new ATOM 0 HB3 SER A 27 -11.367 -10.418 -0.029 1.00 1.37 H new ATOM 0 HG SER A 27 -13.124 -9.224 1.000 1.00 1.84 H new ATOM 393 N GLY A 28 -8.896 -10.142 -1.881 1.00 0.95 N ATOM 394 CA GLY A 28 -8.341 -10.904 -2.963 1.00 1.09 C ATOM 395 C GLY A 28 -7.203 -10.185 -3.611 1.00 0.84 C ATOM 396 O GLY A 28 -6.150 -10.003 -2.991 1.00 1.04 O ATOM 0 H GLY A 28 -8.442 -10.285 -0.979 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -7.998 -11.870 -2.591 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -9.115 -11.104 -3.703 1.00 1.09 H new ATOM 400 N ASP A 29 -7.403 -9.776 -4.829 1.00 0.80 N ATOM 401 CA ASP A 29 -6.396 -9.042 -5.562 1.00 0.86 C ATOM 402 C ASP A 29 -6.806 -7.604 -5.721 1.00 0.77 C ATOM 403 O ASP A 29 -7.993 -7.289 -5.857 1.00 1.01 O ATOM 404 CB ASP A 29 -6.100 -9.673 -6.930 1.00 1.28 C ATOM 405 CG ASP A 29 -5.140 -8.832 -7.756 1.00 1.96 C ATOM 406 OD1 ASP A 29 -4.118 -8.358 -7.210 1.00 2.61 O ATOM 407 OD2 ASP A 29 -5.413 -8.590 -8.948 1.00 2.38 O ATOM 0 H ASP A 29 -8.266 -9.938 -5.348 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.475 -9.087 -4.981 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -5.677 -10.667 -6.786 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -7.033 -9.800 -7.479 1.00 1.28 H new ATOM 412 N PHE A 30 -5.838 -6.745 -5.690 1.00 0.58 N ATOM 413 CA PHE A 30 -6.051 -5.334 -5.783 1.00 0.52 C ATOM 414 C PHE A 30 -4.821 -4.665 -6.386 1.00 0.46 C ATOM 415 O PHE A 30 -4.768 -3.451 -6.475 1.00 0.44 O ATOM 416 CB PHE A 30 -6.341 -4.754 -4.375 1.00 0.56 C ATOM 417 CG PHE A 30 -5.202 -4.908 -3.384 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.913 -6.137 -2.806 1.00 0.67 C ATOM 419 CD2 PHE A 30 -4.422 -3.822 -3.039 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.873 -6.269 -1.918 1.00 0.84 C ATOM 421 CE2 PHE A 30 -3.381 -3.950 -2.147 1.00 0.86 C ATOM 422 CZ PHE A 30 -3.105 -5.174 -1.588 1.00 0.89 C ATOM 0 H PHE A 30 -4.857 -7.009 -5.597 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.908 -5.140 -6.427 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.579 -3.695 -4.474 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.227 -5.243 -3.970 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.513 -6.999 -3.057 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.632 -2.857 -3.476 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.657 -7.232 -1.478 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.782 -3.089 -1.887 1.00 0.86 H new ATOM 0 HZ PHE A 30 -2.287 -5.278 -0.891 1.00 0.89 H new ATOM 432 N LEU A 31 -3.848 -5.482 -6.825 1.00 0.48 N ATOM 433 CA LEU A 31 -2.546 -4.995 -7.308 1.00 0.49 C ATOM 434 C LEU A 31 -2.661 -3.938 -8.416 1.00 0.43 C ATOM 435 O LEU A 31 -1.894 -2.971 -8.454 1.00 0.46 O ATOM 436 CB LEU A 31 -1.678 -6.149 -7.809 1.00 0.62 C ATOM 437 CG LEU A 31 -0.246 -5.767 -8.179 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.565 -5.430 -6.938 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.420 -6.845 -9.002 1.00 1.53 C ATOM 0 H LEU A 31 -3.943 -6.497 -6.855 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.078 -4.520 -6.446 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.645 -6.920 -7.039 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.157 -6.591 -8.682 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.290 -4.872 -8.799 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.581 -5.161 -7.229 1.00 1.15 H new ATOM 0 HD12 LEU A 31 0.103 -4.591 -6.418 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.594 -6.296 -6.276 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.437 -6.539 -9.247 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.447 -7.773 -8.432 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.144 -7.001 -9.922 1.00 1.53 H new ATOM 451 N ASP A 32 -3.619 -4.121 -9.289 1.00 0.43 N ATOM 452 CA ASP A 32 -3.765 -3.271 -10.463 1.00 0.49 C ATOM 453 C ASP A 32 -4.815 -2.203 -10.224 1.00 0.41 C ATOM 454 O ASP A 32 -4.962 -1.262 -11.006 1.00 0.51 O ATOM 455 CB ASP A 32 -4.187 -4.148 -11.644 1.00 0.68 C ATOM 456 CG ASP A 32 -4.147 -3.457 -12.978 1.00 1.43 C ATOM 457 OD1 ASP A 32 -3.051 -3.416 -13.598 1.00 2.17 O ATOM 458 OD2 ASP A 32 -5.188 -2.992 -13.465 1.00 1.99 O ATOM 0 H ASP A 32 -4.321 -4.857 -9.215 1.00 0.43 H new ATOM 0 HA ASP A 32 -2.816 -2.777 -10.673 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.537 -5.022 -11.682 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.199 -4.511 -11.467 1.00 0.68 H new ATOM 463 N LEU A 33 -5.499 -2.322 -9.123 1.00 0.36 N ATOM 464 CA LEU A 33 -6.623 -1.471 -8.837 1.00 0.35 C ATOM 465 C LEU A 33 -6.172 -0.147 -8.241 1.00 0.32 C ATOM 466 O LEU A 33 -5.144 -0.064 -7.600 1.00 0.38 O ATOM 467 CB LEU A 33 -7.594 -2.193 -7.904 1.00 0.46 C ATOM 468 CG LEU A 33 -8.103 -3.556 -8.398 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.094 -4.155 -7.419 1.00 1.56 C ATOM 470 CD2 LEU A 33 -8.719 -3.440 -9.782 1.00 1.56 C ATOM 0 H LEU A 33 -5.296 -3.010 -8.398 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.137 -1.246 -9.771 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.105 -2.336 -6.940 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.454 -1.545 -7.732 1.00 0.46 H new ATOM 0 HG LEU A 33 -7.246 -4.226 -8.464 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.438 -5.119 -7.794 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.612 -4.293 -6.451 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -9.946 -3.484 -7.307 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.071 -4.419 -10.107 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -9.558 -2.745 -9.750 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -7.970 -3.072 -10.484 1.00 1.56 H new ATOM 482 N ARG A 34 -6.935 0.874 -8.477 1.00 0.39 N ATOM 483 CA ARG A 34 -6.622 2.209 -8.003 1.00 0.49 C ATOM 484 C ARG A 34 -6.935 2.305 -6.523 1.00 0.45 C ATOM 485 O ARG A 34 -8.017 1.897 -6.116 1.00 0.50 O ATOM 486 CB ARG A 34 -7.491 3.206 -8.759 1.00 0.73 C ATOM 487 CG ARG A 34 -7.278 3.205 -10.257 1.00 0.89 C ATOM 488 CD ARG A 34 -5.964 3.849 -10.637 1.00 0.95 C ATOM 489 NE ARG A 34 -5.966 5.273 -10.296 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.108 6.181 -10.743 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.165 5.858 -11.624 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.230 7.418 -10.320 1.00 3.48 N ATOM 0 H ARG A 34 -7.804 0.816 -9.008 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.566 2.424 -8.166 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.539 2.987 -8.552 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.293 4.207 -8.376 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -7.301 2.180 -10.627 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -8.097 3.737 -10.741 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -5.145 3.348 -10.121 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.789 3.726 -11.706 1.00 0.95 H new ATOM 0 HE ARG A 34 -6.693 5.596 -9.657 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.094 4.900 -11.966 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.513 6.569 -11.957 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -5.971 7.662 -9.663 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -4.583 8.135 -10.648 1.00 3.48 H new ATOM 506 N PHE A 35 -6.004 2.825 -5.720 1.00 0.43 N ATOM 507 CA PHE A 35 -6.246 3.026 -4.281 1.00 0.43 C ATOM 508 C PHE A 35 -7.537 3.793 -4.043 1.00 0.48 C ATOM 509 O PHE A 35 -8.373 3.381 -3.228 1.00 0.52 O ATOM 510 CB PHE A 35 -5.078 3.722 -3.568 1.00 0.44 C ATOM 511 CG PHE A 35 -3.848 2.876 -3.399 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.901 1.673 -2.726 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.640 3.283 -3.931 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.776 0.889 -2.586 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.513 2.507 -3.792 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.577 1.324 -3.055 1.00 0.60 C ATOM 0 H PHE A 35 -5.078 3.115 -6.035 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.338 2.029 -3.849 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -4.811 4.618 -4.128 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.415 4.049 -2.584 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.837 1.341 -2.303 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.580 4.221 -4.462 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.848 -0.074 -2.102 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.584 2.812 -4.251 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.679 0.757 -2.858 1.00 0.60 H new ATOM 526 N GLU A 36 -7.707 4.876 -4.803 1.00 0.53 N ATOM 527 CA GLU A 36 -8.902 5.736 -4.762 1.00 0.67 C ATOM 528 C GLU A 36 -10.194 4.922 -4.982 1.00 0.73 C ATOM 529 O GLU A 36 -11.266 5.267 -4.483 1.00 0.87 O ATOM 530 CB GLU A 36 -8.786 6.826 -5.850 1.00 0.75 C ATOM 531 CG GLU A 36 -8.695 6.262 -7.271 1.00 1.26 C ATOM 532 CD GLU A 36 -8.535 7.309 -8.335 1.00 1.59 C ATOM 533 OE1 GLU A 36 -9.516 7.997 -8.663 1.00 2.04 O ATOM 534 OE2 GLU A 36 -7.448 7.429 -8.902 1.00 1.90 O ATOM 0 H GLU A 36 -7.009 5.190 -5.477 1.00 0.53 H new ATOM 0 HA GLU A 36 -8.957 6.194 -3.774 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -9.650 7.487 -5.784 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -7.903 7.434 -5.652 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -7.852 5.573 -7.324 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -9.594 5.682 -7.479 1.00 1.26 H new ATOM 541 N ASP A 37 -10.071 3.860 -5.734 1.00 0.70 N ATOM 542 CA ASP A 37 -11.182 3.007 -6.103 1.00 0.83 C ATOM 543 C ASP A 37 -11.404 1.877 -5.091 1.00 0.82 C ATOM 544 O ASP A 37 -12.527 1.416 -4.900 1.00 0.98 O ATOM 545 CB ASP A 37 -10.938 2.458 -7.513 1.00 0.94 C ATOM 546 CG ASP A 37 -11.943 1.431 -7.965 1.00 1.41 C ATOM 547 OD1 ASP A 37 -13.059 1.803 -8.382 1.00 1.71 O ATOM 548 OD2 ASP A 37 -11.614 0.243 -7.949 1.00 2.12 O ATOM 0 H ASP A 37 -9.177 3.553 -6.118 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.097 3.600 -6.097 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -10.943 3.289 -8.219 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -9.943 2.015 -7.550 1.00 0.94 H new ATOM 553 N ILE A 38 -10.350 1.466 -4.415 1.00 0.68 N ATOM 554 CA ILE A 38 -10.428 0.323 -3.501 1.00 0.70 C ATOM 555 C ILE A 38 -10.510 0.695 -2.017 1.00 0.72 C ATOM 556 O ILE A 38 -10.117 -0.086 -1.148 1.00 0.82 O ATOM 557 CB ILE A 38 -9.304 -0.705 -3.742 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.914 -0.056 -3.610 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.489 -1.342 -5.099 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.750 -1.000 -3.832 1.00 0.75 C ATOM 0 H ILE A 38 -9.428 1.899 -4.475 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.382 -0.143 -3.748 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.364 -1.480 -2.978 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.841 0.763 -4.325 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.825 0.381 -2.615 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.695 -2.069 -5.271 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.456 -1.844 -5.136 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.450 -0.573 -5.870 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.813 -0.455 -3.719 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.791 -1.807 -3.100 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -6.807 -1.418 -4.837 1.00 0.75 H new ATOM 572 N GLY A 39 -11.070 1.840 -1.728 1.00 0.75 N ATOM 573 CA GLY A 39 -11.319 2.199 -0.345 1.00 0.87 C ATOM 574 C GLY A 39 -10.269 3.090 0.281 1.00 0.68 C ATOM 575 O GLY A 39 -10.338 3.380 1.477 1.00 0.76 O ATOM 0 H GLY A 39 -11.361 2.535 -2.416 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.284 2.701 -0.283 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -11.397 1.285 0.244 1.00 0.87 H new ATOM 579 N TYR A 40 -9.303 3.523 -0.488 1.00 0.55 N ATOM 580 CA TYR A 40 -8.284 4.421 0.028 1.00 0.52 C ATOM 581 C TYR A 40 -8.526 5.786 -0.545 1.00 0.56 C ATOM 582 O TYR A 40 -8.346 5.998 -1.729 1.00 0.71 O ATOM 583 CB TYR A 40 -6.867 3.955 -0.345 1.00 0.60 C ATOM 584 CG TYR A 40 -6.502 2.582 0.152 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.003 1.450 -0.464 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.661 2.418 1.236 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.689 0.198 -0.015 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.335 1.162 1.691 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.859 0.057 1.061 1.00 0.93 C ATOM 590 OH TYR A 40 -5.557 -1.189 1.516 1.00 1.21 O ATOM 0 H TYR A 40 -9.195 3.273 -1.471 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.349 4.433 1.116 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -6.769 3.971 -1.430 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.148 4.672 0.051 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.656 1.557 -1.318 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.255 3.287 1.732 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.094 -0.674 -0.507 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.673 1.044 2.536 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.591 -1.197 2.495 1.00 1.21 H new ATOM 600 N ASP A 41 -8.967 6.698 0.267 1.00 0.58 N ATOM 601 CA ASP A 41 -9.236 8.040 -0.218 1.00 0.77 C ATOM 602 C ASP A 41 -7.943 8.808 -0.255 1.00 0.91 C ATOM 603 O ASP A 41 -7.532 9.287 -1.311 1.00 1.78 O ATOM 604 CB ASP A 41 -10.254 8.748 0.675 1.00 0.86 C ATOM 605 CG ASP A 41 -10.782 10.025 0.061 1.00 1.62 C ATOM 606 OD1 ASP A 41 -10.158 11.091 0.260 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.803 9.997 -0.630 1.00 2.34 O ATOM 0 H ASP A 41 -9.150 6.552 1.260 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.661 7.984 -1.220 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -11.087 8.074 0.874 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.792 8.976 1.636 1.00 0.86 H new ATOM 612 N SER A 42 -7.271 8.828 0.884 1.00 0.59 N ATOM 613 CA SER A 42 -5.970 9.484 1.047 1.00 0.58 C ATOM 614 C SER A 42 -5.522 9.428 2.506 1.00 0.51 C ATOM 615 O SER A 42 -4.381 9.051 2.801 1.00 0.51 O ATOM 616 CB SER A 42 -6.045 10.935 0.587 1.00 0.71 C ATOM 617 OG SER A 42 -7.133 11.609 1.284 1.00 0.97 O ATOM 0 H SER A 42 -7.612 8.385 1.737 1.00 0.59 H new ATOM 0 HA SER A 42 -5.242 8.954 0.433 1.00 0.58 H new ATOM 0 HB2 SER A 42 -5.101 11.441 0.789 1.00 0.71 H new ATOM 0 HB3 SER A 42 -6.206 10.979 -0.490 1.00 0.71 H new ATOM 622 N LEU A 43 -6.438 9.765 3.406 1.00 0.48 N ATOM 623 CA LEU A 43 -6.180 9.771 4.850 1.00 0.51 C ATOM 624 C LEU A 43 -5.758 8.352 5.284 1.00 0.46 C ATOM 625 O LEU A 43 -4.752 8.171 5.963 1.00 0.50 O ATOM 626 CB LEU A 43 -7.470 10.227 5.592 1.00 0.60 C ATOM 627 CG LEU A 43 -7.349 10.775 7.044 1.00 0.76 C ATOM 628 CD1 LEU A 43 -6.784 9.760 8.028 1.00 1.40 C ATOM 629 CD2 LEU A 43 -6.542 12.062 7.070 1.00 1.64 C ATOM 0 H LEU A 43 -7.387 10.044 3.158 1.00 0.48 H new ATOM 0 HA LEU A 43 -5.377 10.464 5.099 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.943 11.000 4.986 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -8.154 9.378 5.616 1.00 0.60 H new ATOM 0 HG LEU A 43 -8.365 10.987 7.376 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -6.727 10.208 9.020 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -7.433 8.885 8.062 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.786 9.459 7.708 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -6.471 12.426 8.095 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -5.541 11.872 6.682 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -7.034 12.813 6.452 1.00 1.64 H new ATOM 641 N ALA A 44 -6.514 7.367 4.839 1.00 0.44 N ATOM 642 CA ALA A 44 -6.230 5.970 5.125 1.00 0.45 C ATOM 643 C ALA A 44 -4.934 5.554 4.457 1.00 0.41 C ATOM 644 O ALA A 44 -4.076 4.930 5.071 1.00 0.47 O ATOM 645 CB ALA A 44 -7.368 5.095 4.615 1.00 0.51 C ATOM 0 H ALA A 44 -7.346 7.511 4.267 1.00 0.44 H new ATOM 0 HA ALA A 44 -6.133 5.846 6.204 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -7.149 4.050 4.832 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -8.297 5.381 5.109 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.474 5.227 3.538 1.00 0.51 H new ATOM 651 N LEU A 45 -4.782 5.982 3.213 1.00 0.39 N ATOM 652 CA LEU A 45 -3.650 5.621 2.375 1.00 0.42 C ATOM 653 C LEU A 45 -2.314 6.040 2.987 1.00 0.41 C ATOM 654 O LEU A 45 -1.335 5.288 2.924 1.00 0.44 O ATOM 655 CB LEU A 45 -3.804 6.238 0.990 1.00 0.50 C ATOM 656 CG LEU A 45 -2.657 5.988 0.013 1.00 0.61 C ATOM 657 CD1 LEU A 45 -2.530 4.511 -0.327 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.841 6.822 -1.228 1.00 0.90 C ATOM 0 H LEU A 45 -5.451 6.598 2.751 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.644 4.534 2.295 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.723 5.857 0.545 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.928 7.315 1.106 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.726 6.287 0.494 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.705 4.368 -1.024 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -2.339 3.943 0.584 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -3.456 4.162 -0.784 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -2.017 6.635 -1.917 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.783 6.557 -1.708 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.856 7.878 -0.958 1.00 0.90 H new ATOM 670 N MET A 46 -2.266 7.221 3.586 1.00 0.42 N ATOM 671 CA MET A 46 -1.021 7.686 4.185 1.00 0.48 C ATOM 672 C MET A 46 -0.647 6.800 5.380 1.00 0.46 C ATOM 673 O MET A 46 0.526 6.473 5.576 1.00 0.53 O ATOM 674 CB MET A 46 -1.074 9.171 4.601 1.00 0.57 C ATOM 675 CG MET A 46 -1.972 9.463 5.795 1.00 0.58 C ATOM 676 SD MET A 46 -1.824 11.145 6.399 1.00 1.46 S ATOM 677 CE MET A 46 -2.929 11.085 7.809 1.00 1.78 C ATOM 0 H MET A 46 -3.054 7.863 3.670 1.00 0.42 H new ATOM 0 HA MET A 46 -0.248 7.607 3.420 1.00 0.48 H new ATOM 0 HB2 MET A 46 -0.063 9.506 4.833 1.00 0.57 H new ATOM 0 HB3 MET A 46 -1.418 9.761 3.751 1.00 0.57 H new ATOM 0 HG2 MET A 46 -3.009 9.274 5.516 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.728 8.772 6.602 1.00 0.58 H new ATOM 0 HE1 MET A 46 -3.526 11.997 7.843 1.00 1.78 H new ATOM 0 HE2 MET A 46 -3.589 10.222 7.718 1.00 1.78 H new ATOM 0 HE3 MET A 46 -2.345 10.999 8.725 1.00 1.78 H new ATOM 687 N GLU A 47 -1.657 6.382 6.155 1.00 0.44 N ATOM 688 CA GLU A 47 -1.426 5.517 7.292 1.00 0.49 C ATOM 689 C GLU A 47 -0.946 4.155 6.819 1.00 0.47 C ATOM 690 O GLU A 47 -0.123 3.510 7.476 1.00 0.51 O ATOM 691 CB GLU A 47 -2.660 5.405 8.190 1.00 0.54 C ATOM 692 CG GLU A 47 -3.151 6.752 8.704 1.00 0.78 C ATOM 693 CD GLU A 47 -4.151 6.637 9.827 1.00 1.06 C ATOM 694 OE1 GLU A 47 -5.284 6.175 9.606 1.00 1.88 O ATOM 695 OE2 GLU A 47 -3.803 7.004 10.974 1.00 1.03 O ATOM 0 H GLU A 47 -2.634 6.634 6.006 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.644 5.964 7.906 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.463 4.920 7.635 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.427 4.762 9.039 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.296 7.335 9.047 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.603 7.304 7.880 1.00 0.78 H new ATOM 702 N THR A 48 -1.459 3.733 5.679 1.00 0.45 N ATOM 703 CA THR A 48 -1.036 2.511 5.041 1.00 0.48 C ATOM 704 C THR A 48 0.458 2.608 4.689 1.00 0.44 C ATOM 705 O THR A 48 1.256 1.747 5.078 1.00 0.46 O ATOM 706 CB THR A 48 -1.842 2.305 3.756 1.00 0.54 C ATOM 707 OG1 THR A 48 -3.240 2.399 4.049 1.00 0.63 O ATOM 708 CG2 THR A 48 -1.555 0.944 3.178 1.00 0.65 C ATOM 0 H THR A 48 -2.186 4.236 5.170 1.00 0.45 H new ATOM 0 HA THR A 48 -1.200 1.672 5.718 1.00 0.48 H new ATOM 0 HB THR A 48 -1.559 3.072 3.036 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.472 3.332 4.241 1.00 0.63 H new ATOM 0 HG21 THR A 48 -2.133 0.807 2.264 1.00 0.65 H new ATOM 0 HG22 THR A 48 -0.492 0.862 2.950 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.832 0.176 3.901 1.00 0.65 H new ATOM 716 N ALA A 49 0.816 3.665 3.956 1.00 0.45 N ATOM 717 CA ALA A 49 2.192 3.908 3.532 1.00 0.48 C ATOM 718 C ALA A 49 3.151 3.937 4.729 1.00 0.44 C ATOM 719 O ALA A 49 4.189 3.276 4.713 1.00 0.45 O ATOM 720 CB ALA A 49 2.280 5.207 2.730 1.00 0.57 C ATOM 0 H ALA A 49 0.157 4.376 3.640 1.00 0.45 H new ATOM 0 HA ALA A 49 2.497 3.082 2.889 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.312 5.375 2.421 1.00 0.57 H new ATOM 0 HB2 ALA A 49 1.644 5.134 1.848 1.00 0.57 H new ATOM 0 HB3 ALA A 49 1.947 6.040 3.349 1.00 0.57 H new ATOM 726 N ALA A 50 2.769 4.653 5.778 1.00 0.44 N ATOM 727 CA ALA A 50 3.586 4.760 6.989 1.00 0.46 C ATOM 728 C ALA A 50 3.734 3.409 7.699 1.00 0.44 C ATOM 729 O ALA A 50 4.769 3.122 8.320 1.00 0.44 O ATOM 730 CB ALA A 50 2.988 5.782 7.931 1.00 0.56 C ATOM 0 H ALA A 50 1.893 5.173 5.819 1.00 0.44 H new ATOM 0 HA ALA A 50 4.582 5.084 6.688 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.603 5.854 8.828 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.951 6.753 7.438 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.979 5.476 8.207 1.00 0.56 H new ATOM 736 N ARG A 51 2.713 2.577 7.587 1.00 0.46 N ATOM 737 CA ARG A 51 2.708 1.259 8.208 1.00 0.48 C ATOM 738 C ARG A 51 3.700 0.353 7.475 1.00 0.46 C ATOM 739 O ARG A 51 4.357 -0.500 8.071 1.00 0.49 O ATOM 740 CB ARG A 51 1.302 0.664 8.140 1.00 0.54 C ATOM 741 CG ARG A 51 1.087 -0.545 9.017 1.00 0.78 C ATOM 742 CD ARG A 51 -0.325 -1.082 8.868 1.00 0.80 C ATOM 743 NE ARG A 51 -0.606 -2.108 9.865 1.00 1.68 N ATOM 744 CZ ARG A 51 -1.253 -3.247 9.668 1.00 2.07 C ATOM 745 NH1 ARG A 51 -1.754 -3.558 8.481 1.00 1.80 N ATOM 746 NH2 ARG A 51 -1.430 -4.068 10.670 1.00 3.14 N ATOM 0 H ARG A 51 1.864 2.793 7.064 1.00 0.46 H new ATOM 0 HA ARG A 51 3.004 1.343 9.254 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.583 1.433 8.422 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.088 0.390 7.107 1.00 0.54 H new ATOM 0 HG2 ARG A 51 1.805 -1.322 8.754 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.271 -0.281 10.058 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -1.040 -0.266 8.971 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.456 -1.497 7.868 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.270 -1.931 10.812 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.645 -2.915 7.697 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -2.249 -4.441 8.352 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -1.071 -3.829 11.594 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -1.927 -4.947 10.527 1.00 3.14 H new ATOM 760 N LEU A 52 3.808 0.570 6.179 1.00 0.44 N ATOM 761 CA LEU A 52 4.740 -0.157 5.342 1.00 0.46 C ATOM 762 C LEU A 52 6.158 0.268 5.674 1.00 0.38 C ATOM 763 O LEU A 52 7.055 -0.576 5.807 1.00 0.40 O ATOM 764 CB LEU A 52 4.445 0.125 3.871 1.00 0.55 C ATOM 765 CG LEU A 52 3.072 -0.311 3.373 1.00 0.70 C ATOM 766 CD1 LEU A 52 2.822 0.243 1.998 1.00 0.83 C ATOM 767 CD2 LEU A 52 2.979 -1.822 3.340 1.00 0.80 C ATOM 0 H LEU A 52 3.249 1.259 5.675 1.00 0.44 H new ATOM 0 HA LEU A 52 4.632 -1.226 5.526 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.550 1.196 3.698 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.204 -0.371 3.266 1.00 0.55 H new ATOM 0 HG LEU A 52 2.316 0.074 4.057 1.00 0.70 H new ATOM 0 HD11 LEU A 52 1.839 -0.074 1.651 1.00 0.83 H new ATOM 0 HD12 LEU A 52 2.861 1.332 2.032 1.00 0.83 H new ATOM 0 HD13 LEU A 52 3.585 -0.126 1.313 1.00 0.83 H new ATOM 0 HD21 LEU A 52 1.993 -2.118 2.982 1.00 0.80 H new ATOM 0 HD22 LEU A 52 3.742 -2.219 2.671 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.135 -2.218 4.343 1.00 0.80 H new ATOM 779 N GLU A 53 6.343 1.580 5.828 1.00 0.35 N ATOM 780 CA GLU A 53 7.636 2.157 6.166 1.00 0.33 C ATOM 781 C GLU A 53 8.179 1.572 7.443 1.00 0.34 C ATOM 782 O GLU A 53 9.264 0.980 7.448 1.00 0.41 O ATOM 783 CB GLU A 53 7.546 3.671 6.309 1.00 0.34 C ATOM 784 CG GLU A 53 7.191 4.399 5.041 1.00 0.35 C ATOM 785 CD GLU A 53 7.139 5.890 5.240 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.092 6.427 5.640 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.164 6.553 5.013 1.00 0.49 O ATOM 0 H GLU A 53 5.598 2.269 5.721 1.00 0.35 H new ATOM 0 HA GLU A 53 8.313 1.916 5.347 1.00 0.33 H new ATOM 0 HB2 GLU A 53 6.801 3.908 7.069 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.503 4.046 6.672 1.00 0.34 H new ATOM 0 HG2 GLU A 53 7.924 4.162 4.270 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.224 4.048 4.680 1.00 0.35 H new ATOM 794 N SER A 54 7.398 1.693 8.492 1.00 0.36 N ATOM 795 CA SER A 54 7.786 1.264 9.806 1.00 0.43 C ATOM 796 C SER A 54 8.038 -0.251 9.888 1.00 0.42 C ATOM 797 O SER A 54 9.104 -0.685 10.334 1.00 0.48 O ATOM 798 CB SER A 54 6.732 1.729 10.816 1.00 0.55 C ATOM 799 OG SER A 54 5.418 1.393 10.374 1.00 1.22 O ATOM 0 H SER A 54 6.463 2.099 8.450 1.00 0.36 H new ATOM 0 HA SER A 54 8.743 1.725 10.050 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.923 1.267 11.785 1.00 0.55 H new ATOM 0 HB3 SER A 54 6.808 2.807 10.956 1.00 0.55 H new ATOM 0 HG SER A 54 5.099 2.075 9.747 1.00 1.22 H new ATOM 805 N ARG A 55 7.081 -1.037 9.428 1.00 0.44 N ATOM 806 CA ARG A 55 7.163 -2.488 9.518 1.00 0.51 C ATOM 807 C ARG A 55 8.263 -3.093 8.642 1.00 0.56 C ATOM 808 O ARG A 55 9.059 -3.910 9.107 1.00 0.64 O ATOM 809 CB ARG A 55 5.809 -3.125 9.193 1.00 0.60 C ATOM 810 CG ARG A 55 5.817 -4.645 9.198 1.00 0.77 C ATOM 811 CD ARG A 55 4.444 -5.204 8.889 1.00 0.95 C ATOM 812 NE ARG A 55 3.467 -4.877 9.933 1.00 1.51 N ATOM 813 CZ ARG A 55 2.231 -5.384 10.014 1.00 1.97 C ATOM 814 NH1 ARG A 55 1.777 -6.203 9.062 1.00 1.87 N ATOM 815 NH2 ARG A 55 1.451 -5.056 11.033 1.00 2.88 N ATOM 0 H ARG A 55 6.230 -0.693 8.984 1.00 0.44 H new ATOM 0 HA ARG A 55 7.434 -2.714 10.549 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.073 -2.775 9.916 1.00 0.60 H new ATOM 0 HB3 ARG A 55 5.483 -2.778 8.212 1.00 0.60 H new ATOM 0 HG2 ARG A 55 6.534 -5.009 8.462 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.148 -5.006 10.172 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.099 -4.809 7.934 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.510 -6.287 8.781 1.00 0.95 H new ATOM 0 HE ARG A 55 3.751 -4.212 10.652 1.00 1.51 H new ATOM 0 HH11 ARG A 55 2.373 -6.444 8.270 1.00 1.87 H new ATOM 0 HH12 ARG A 55 0.835 -6.588 9.127 1.00 1.87 H new ATOM 0 HH21 ARG A 55 1.793 -4.419 11.753 1.00 2.88 H new ATOM 0 HH22 ARG A 55 0.508 -5.440 11.098 1.00 2.88 H new ATOM 829 N TYR A 56 8.339 -2.688 7.399 1.00 0.56 N ATOM 830 CA TYR A 56 9.252 -3.345 6.476 1.00 0.67 C ATOM 831 C TYR A 56 10.635 -2.711 6.443 1.00 0.70 C ATOM 832 O TYR A 56 11.558 -3.257 5.839 1.00 0.86 O ATOM 833 CB TYR A 56 8.621 -3.475 5.081 1.00 0.75 C ATOM 834 CG TYR A 56 7.325 -4.271 5.119 1.00 0.85 C ATOM 835 CD1 TYR A 56 7.329 -5.649 5.281 1.00 1.09 C ATOM 836 CD2 TYR A 56 6.101 -3.639 4.959 1.00 0.82 C ATOM 837 CE1 TYR A 56 6.149 -6.373 5.284 1.00 1.24 C ATOM 838 CE2 TYR A 56 4.920 -4.355 4.953 1.00 0.96 C ATOM 839 CZ TYR A 56 4.960 -5.737 5.258 1.00 1.17 C ATOM 840 OH TYR A 56 3.755 -6.435 5.092 1.00 1.33 O ATOM 0 H TYR A 56 7.795 -1.923 7.001 1.00 0.56 H new ATOM 0 HA TYR A 56 9.418 -4.353 6.856 1.00 0.67 H new ATOM 0 HB2 TYR A 56 8.426 -2.482 4.676 1.00 0.75 H new ATOM 0 HB3 TYR A 56 9.326 -3.961 4.407 1.00 0.75 H new ATOM 0 HD1 TYR A 56 8.269 -6.166 5.407 1.00 1.09 H new ATOM 0 HD2 TYR A 56 6.071 -2.566 4.837 1.00 0.82 H new ATOM 0 HE1 TYR A 56 6.181 -7.452 5.307 1.00 1.24 H new ATOM 0 HE2 TYR A 56 3.984 -3.870 4.720 1.00 0.96 H new ATOM 0 HH TYR A 56 3.402 -6.269 4.193 1.00 1.33 H new ATOM 850 N GLY A 57 10.785 -1.589 7.116 1.00 0.61 N ATOM 851 CA GLY A 57 12.075 -0.935 7.180 1.00 0.68 C ATOM 852 C GLY A 57 12.380 -0.171 5.919 1.00 0.72 C ATOM 853 O GLY A 57 13.508 -0.210 5.405 1.00 0.91 O ATOM 0 H GLY A 57 10.037 -1.115 7.622 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.095 -0.254 8.031 1.00 0.68 H new ATOM 0 HA3 GLY A 57 12.852 -1.680 7.350 1.00 0.68 H new ATOM 857 N VAL A 58 11.386 0.519 5.415 1.00 0.62 N ATOM 858 CA VAL A 58 11.524 1.306 4.209 1.00 0.65 C ATOM 859 C VAL A 58 11.224 2.759 4.507 1.00 0.57 C ATOM 860 O VAL A 58 10.835 3.095 5.624 1.00 0.50 O ATOM 861 CB VAL A 58 10.646 0.813 3.012 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.003 -0.598 2.619 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.165 0.906 3.324 1.00 0.57 C ATOM 0 H VAL A 58 10.455 0.552 5.829 1.00 0.62 H new ATOM 0 HA VAL A 58 12.558 1.184 3.888 1.00 0.65 H new ATOM 0 HB VAL A 58 10.857 1.475 2.172 1.00 0.67 H new ATOM 0 HG11 VAL A 58 10.376 -0.913 1.785 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.051 -0.639 2.321 1.00 0.81 H new ATOM 0 HG13 VAL A 58 10.840 -1.264 3.466 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.590 0.554 2.467 1.00 0.57 H new ATOM 0 HG22 VAL A 58 8.937 0.288 4.193 1.00 0.57 H new ATOM 0 HG23 VAL A 58 8.902 1.942 3.537 1.00 0.57 H new ATOM 873 N SER A 59 11.424 3.612 3.553 1.00 0.63 N ATOM 874 CA SER A 59 11.129 5.006 3.712 1.00 0.63 C ATOM 875 C SER A 59 10.461 5.515 2.441 1.00 0.62 C ATOM 876 O SER A 59 11.075 5.524 1.368 1.00 0.73 O ATOM 877 CB SER A 59 12.428 5.769 4.001 1.00 0.83 C ATOM 878 OG SER A 59 13.094 5.206 5.141 1.00 1.41 O ATOM 0 H SER A 59 11.798 3.363 2.637 1.00 0.63 H new ATOM 0 HA SER A 59 10.449 5.162 4.550 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.083 5.727 3.131 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.207 6.821 4.183 1.00 0.83 H new ATOM 0 HG SER A 59 13.922 5.701 5.314 1.00 1.41 H new ATOM 884 N ILE A 60 9.200 5.860 2.550 1.00 0.52 N ATOM 885 CA ILE A 60 8.432 6.348 1.430 1.00 0.53 C ATOM 886 C ILE A 60 8.366 7.860 1.520 1.00 0.59 C ATOM 887 O ILE A 60 7.712 8.399 2.427 1.00 0.67 O ATOM 888 CB ILE A 60 6.985 5.774 1.416 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.012 4.240 1.400 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.208 6.305 0.202 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.639 3.599 1.490 1.00 0.55 C ATOM 0 H ILE A 60 8.675 5.810 3.423 1.00 0.52 H new ATOM 0 HA ILE A 60 8.922 6.025 0.511 1.00 0.53 H new ATOM 0 HB ILE A 60 6.479 6.101 2.324 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.499 3.905 0.484 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.621 3.889 2.233 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.199 5.894 0.208 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.157 7.393 0.250 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.716 6.006 -0.715 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.742 2.514 1.473 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.156 3.903 2.419 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.032 3.919 0.643 1.00 0.55 H new ATOM 903 N PRO A 61 9.065 8.568 0.633 1.00 0.62 N ATOM 904 CA PRO A 61 9.074 10.025 0.631 1.00 0.71 C ATOM 905 C PRO A 61 7.686 10.602 0.353 1.00 0.65 C ATOM 906 O PRO A 61 6.893 10.017 -0.411 1.00 0.57 O ATOM 907 CB PRO A 61 10.044 10.381 -0.503 1.00 0.78 C ATOM 908 CG PRO A 61 10.844 9.149 -0.718 1.00 0.77 C ATOM 909 CD PRO A 61 9.914 8.017 -0.434 1.00 0.64 C ATOM 0 HA PRO A 61 9.370 10.435 1.597 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.507 10.667 -1.408 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.680 11.223 -0.230 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.222 9.100 -1.739 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.709 9.122 -0.056 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.333 7.738 -1.313 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.448 7.124 -0.109 1.00 0.64 H new ATOM 917 N ASP A 62 7.422 11.748 0.950 1.00 0.75 N ATOM 918 CA ASP A 62 6.134 12.456 0.868 1.00 0.78 C ATOM 919 C ASP A 62 5.757 12.736 -0.592 1.00 0.68 C ATOM 920 O ASP A 62 4.595 12.632 -0.982 1.00 0.67 O ATOM 921 CB ASP A 62 6.237 13.778 1.654 1.00 0.99 C ATOM 922 CG ASP A 62 4.926 14.537 1.788 1.00 1.34 C ATOM 923 OD1 ASP A 62 4.593 15.329 0.876 1.00 2.03 O ATOM 924 OD2 ASP A 62 4.183 14.313 2.767 1.00 1.88 O ATOM 0 H ASP A 62 8.109 12.236 1.525 1.00 0.75 H new ATOM 0 HA ASP A 62 5.354 11.829 1.301 1.00 0.78 H new ATOM 0 HB2 ASP A 62 6.622 13.564 2.651 1.00 0.99 H new ATOM 0 HB3 ASP A 62 6.966 14.422 1.163 1.00 0.99 H new ATOM 929 N ASP A 63 6.762 13.036 -1.400 1.00 0.67 N ATOM 930 CA ASP A 63 6.572 13.317 -2.833 1.00 0.67 C ATOM 931 C ASP A 63 6.297 12.043 -3.615 1.00 0.58 C ATOM 932 O ASP A 63 5.453 12.018 -4.515 1.00 0.60 O ATOM 933 CB ASP A 63 7.814 13.992 -3.443 1.00 0.85 C ATOM 934 CG ASP A 63 8.055 15.417 -2.995 1.00 1.44 C ATOM 935 OD1 ASP A 63 8.325 15.645 -1.797 1.00 2.23 O ATOM 936 OD2 ASP A 63 8.072 16.327 -3.862 1.00 1.95 O ATOM 0 H ASP A 63 7.733 13.094 -1.092 1.00 0.67 H new ATOM 0 HA ASP A 63 5.715 13.987 -2.904 1.00 0.67 H new ATOM 0 HB2 ASP A 63 8.692 13.396 -3.194 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.718 13.980 -4.529 1.00 0.85 H new ATOM 941 N VAL A 64 6.977 10.969 -3.253 1.00 0.60 N ATOM 942 CA VAL A 64 6.869 9.716 -3.998 1.00 0.64 C ATOM 943 C VAL A 64 5.554 9.008 -3.679 1.00 0.60 C ATOM 944 O VAL A 64 4.993 8.298 -4.520 1.00 0.58 O ATOM 945 CB VAL A 64 8.079 8.773 -3.735 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.975 7.483 -4.542 1.00 0.97 C ATOM 947 CG2 VAL A 64 9.378 9.486 -4.063 1.00 0.98 C ATOM 0 H VAL A 64 7.608 10.934 -2.453 1.00 0.60 H new ATOM 0 HA VAL A 64 6.881 9.970 -5.058 1.00 0.64 H new ATOM 0 HB VAL A 64 8.067 8.507 -2.678 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.838 6.851 -4.331 1.00 0.97 H new ATOM 0 HG12 VAL A 64 7.062 6.954 -4.267 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.950 7.720 -5.606 1.00 0.97 H new ATOM 0 HG21 VAL A 64 10.218 8.817 -3.875 1.00 0.98 H new ATOM 0 HG22 VAL A 64 9.376 9.781 -5.112 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.474 10.373 -3.437 1.00 0.98 H new ATOM 957 N ALA A 65 5.031 9.263 -2.493 1.00 0.72 N ATOM 958 CA ALA A 65 3.752 8.704 -2.067 1.00 0.85 C ATOM 959 C ALA A 65 2.616 9.168 -2.987 1.00 0.80 C ATOM 960 O ALA A 65 1.592 8.509 -3.106 1.00 0.90 O ATOM 961 CB ALA A 65 3.464 9.093 -0.623 1.00 1.09 C ATOM 0 H ALA A 65 5.476 9.861 -1.797 1.00 0.72 H new ATOM 0 HA ALA A 65 3.814 7.618 -2.132 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.507 8.670 -0.316 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.254 8.708 0.022 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.424 10.179 -0.540 1.00 1.09 H new ATOM 967 N GLY A 66 2.836 10.285 -3.665 1.00 0.73 N ATOM 968 CA GLY A 66 1.845 10.827 -4.552 1.00 0.81 C ATOM 969 C GLY A 66 1.749 10.094 -5.884 1.00 0.73 C ATOM 970 O GLY A 66 0.736 10.201 -6.568 1.00 0.92 O ATOM 0 H GLY A 66 3.698 10.827 -3.610 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.873 10.796 -4.059 1.00 0.81 H new ATOM 0 HA3 GLY A 66 2.073 11.876 -4.740 1.00 0.81 H new ATOM 974 N ARG A 67 2.772 9.327 -6.258 1.00 0.56 N ATOM 975 CA ARG A 67 2.739 8.663 -7.566 1.00 0.61 C ATOM 976 C ARG A 67 2.249 7.234 -7.466 1.00 0.58 C ATOM 977 O ARG A 67 2.095 6.564 -8.474 1.00 0.79 O ATOM 978 CB ARG A 67 4.103 8.638 -8.269 1.00 0.63 C ATOM 979 CG ARG A 67 5.132 7.713 -7.624 1.00 0.57 C ATOM 980 CD ARG A 67 5.898 6.940 -8.685 1.00 0.87 C ATOM 981 NE ARG A 67 4.979 6.143 -9.530 1.00 1.64 N ATOM 982 CZ ARG A 67 5.340 5.342 -10.546 1.00 2.30 C ATOM 983 NH1 ARG A 67 6.616 5.024 -10.746 1.00 2.40 N ATOM 984 NH2 ARG A 67 4.415 4.796 -11.299 1.00 3.30 N ATOM 0 H ARG A 67 3.607 9.152 -5.699 1.00 0.56 H new ATOM 0 HA ARG A 67 2.045 9.262 -8.156 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.958 8.332 -9.305 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.506 9.651 -8.289 1.00 0.63 H new ATOM 0 HG2 ARG A 67 5.826 8.298 -7.020 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.632 7.017 -6.950 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.462 7.634 -9.309 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.622 6.280 -8.207 1.00 0.87 H new ATOM 0 HE ARG A 67 3.983 6.208 -9.322 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.336 5.390 -10.123 1.00 2.40 H new ATOM 0 HH12 ARG A 67 6.874 4.414 -11.522 1.00 2.40 H new ATOM 0 HH21 ARG A 67 3.430 4.981 -11.111 1.00 3.30 H new ATOM 0 HH22 ARG A 67 4.681 4.187 -12.072 1.00 3.30 H new ATOM 998 N VAL A 68 2.082 6.740 -6.280 1.00 0.45 N ATOM 999 CA VAL A 68 1.637 5.380 -6.133 1.00 0.45 C ATOM 1000 C VAL A 68 0.109 5.308 -6.093 1.00 0.46 C ATOM 1001 O VAL A 68 -0.528 5.447 -5.047 1.00 0.53 O ATOM 1002 CB VAL A 68 2.343 4.626 -4.959 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.827 4.482 -5.263 1.00 1.45 C ATOM 1004 CG2 VAL A 68 2.178 5.326 -3.623 1.00 0.85 C ATOM 0 H VAL A 68 2.243 7.244 -5.408 1.00 0.45 H new ATOM 0 HA VAL A 68 1.950 4.832 -7.022 1.00 0.45 H new ATOM 0 HB VAL A 68 1.866 3.649 -4.878 1.00 0.53 H new ATOM 0 HG11 VAL A 68 4.317 3.956 -4.443 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.956 3.916 -6.186 1.00 1.45 H new ATOM 0 HG13 VAL A 68 4.272 5.470 -5.378 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.689 4.755 -2.848 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.608 6.326 -3.681 1.00 0.85 H new ATOM 0 HG23 VAL A 68 1.118 5.400 -3.380 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.472 5.201 -7.266 1.00 0.47 N ATOM 1015 CA ASP A 69 -1.920 5.170 -7.411 1.00 0.53 C ATOM 1016 C ASP A 69 -2.403 3.746 -7.390 1.00 0.42 C ATOM 1017 O ASP A 69 -3.505 3.446 -6.916 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.370 5.831 -8.713 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.061 7.306 -8.809 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -2.771 8.129 -8.185 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -1.147 7.688 -9.576 1.00 2.04 O ATOM 0 H ASP A 69 0.038 5.133 -8.147 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.348 5.727 -6.577 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -1.894 5.318 -9.549 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.445 5.691 -8.824 1.00 0.71 H new ATOM 1026 N THR A 70 -1.609 2.877 -7.931 1.00 0.35 N ATOM 1027 CA THR A 70 -1.888 1.480 -7.895 1.00 0.29 C ATOM 1028 C THR A 70 -0.875 0.788 -6.978 1.00 0.26 C ATOM 1029 O THR A 70 0.286 1.244 -6.856 1.00 0.29 O ATOM 1030 CB THR A 70 -1.837 0.852 -9.316 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.557 1.091 -9.919 1.00 0.50 O ATOM 1032 CG2 THR A 70 -2.930 1.420 -10.211 1.00 0.39 C ATOM 0 H THR A 70 -0.744 3.120 -8.413 1.00 0.35 H new ATOM 0 HA THR A 70 -2.897 1.339 -7.509 1.00 0.29 H new ATOM 0 HB THR A 70 -1.998 -0.221 -9.209 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.265 2.004 -9.716 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.868 0.961 -11.198 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.905 1.208 -9.773 1.00 0.39 H new ATOM 0 HG23 THR A 70 -2.801 2.498 -10.304 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.286 -0.294 -6.287 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.399 -1.081 -5.435 1.00 0.31 C ATOM 1042 C PRO A 71 0.790 -1.622 -6.207 1.00 0.32 C ATOM 1043 O PRO A 71 1.813 -1.879 -5.631 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.282 -2.222 -4.949 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.646 -1.665 -5.021 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.658 -0.803 -6.235 1.00 0.30 C ATOM 0 HA PRO A 71 0.024 -0.487 -4.625 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.177 -3.106 -5.579 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.025 -2.522 -3.933 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.391 -2.458 -5.095 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -2.882 -1.088 -4.127 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.913 -1.370 -7.131 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.386 0.004 -6.150 1.00 0.30 H new ATOM 1054 N ARG A 72 0.614 -1.803 -7.512 1.00 0.32 N ATOM 1055 CA ARG A 72 1.682 -2.209 -8.433 1.00 0.38 C ATOM 1056 C ARG A 72 2.915 -1.301 -8.236 1.00 0.35 C ATOM 1057 O ARG A 72 4.017 -1.765 -7.919 1.00 0.36 O ATOM 1058 CB ARG A 72 1.184 -2.022 -9.861 1.00 0.45 C ATOM 1059 CG ARG A 72 2.130 -2.516 -10.941 1.00 0.88 C ATOM 1060 CD ARG A 72 1.826 -1.841 -12.265 1.00 0.81 C ATOM 1061 NE ARG A 72 0.417 -1.964 -12.649 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.376 -0.940 -13.042 1.00 1.05 C ATOM 1063 NH1 ARG A 72 0.095 0.310 -13.120 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.636 -1.183 -13.364 1.00 1.55 N ATOM 0 H ARG A 72 -0.287 -1.671 -7.971 1.00 0.32 H new ATOM 0 HA ARG A 72 1.951 -3.248 -8.242 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.232 -2.541 -9.968 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.990 -0.962 -10.026 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.161 -2.312 -10.651 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.037 -3.597 -11.048 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.090 -0.786 -12.200 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.451 -2.279 -13.044 1.00 0.81 H new ATOM 0 HE ARG A 72 0.001 -2.895 -12.618 1.00 0.86 H new ATOM 0 HH11 ARG A 72 1.067 0.504 -12.881 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -0.518 1.068 -13.418 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -2.001 -2.134 -13.315 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.243 -0.419 -13.662 1.00 1.55 H new ATOM 1078 N GLU A 73 2.669 -0.001 -8.376 1.00 0.34 N ATOM 1079 CA GLU A 73 3.688 1.042 -8.273 1.00 0.36 C ATOM 1080 C GLU A 73 4.252 1.083 -6.858 1.00 0.32 C ATOM 1081 O GLU A 73 5.464 1.220 -6.652 1.00 0.35 O ATOM 1082 CB GLU A 73 3.038 2.390 -8.591 1.00 0.42 C ATOM 1083 CG GLU A 73 2.377 2.447 -9.957 1.00 0.60 C ATOM 1084 CD GLU A 73 1.476 3.645 -10.113 1.00 1.37 C ATOM 1085 OE1 GLU A 73 0.366 3.614 -9.574 1.00 2.18 O ATOM 1086 OE2 GLU A 73 1.847 4.619 -10.802 1.00 1.78 O ATOM 0 H GLU A 73 1.737 0.365 -8.568 1.00 0.34 H new ATOM 0 HA GLU A 73 4.497 0.833 -8.973 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.292 2.612 -7.828 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.796 3.171 -8.532 1.00 0.42 H new ATOM 0 HG2 GLU A 73 3.147 2.472 -10.729 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.797 1.538 -10.115 1.00 0.60 H new ATOM 1093 N LEU A 74 3.363 0.945 -5.895 1.00 0.31 N ATOM 1094 CA LEU A 74 3.712 0.987 -4.487 1.00 0.32 C ATOM 1095 C LEU A 74 4.595 -0.219 -4.116 1.00 0.30 C ATOM 1096 O LEU A 74 5.614 -0.060 -3.443 1.00 0.31 O ATOM 1097 CB LEU A 74 2.397 1.069 -3.648 1.00 0.36 C ATOM 1098 CG LEU A 74 2.482 1.216 -2.107 1.00 0.39 C ATOM 1099 CD1 LEU A 74 2.893 -0.078 -1.435 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.434 2.341 -1.715 1.00 0.44 C ATOM 0 H LEU A 74 2.368 0.799 -6.068 1.00 0.31 H new ATOM 0 HA LEU A 74 4.306 1.873 -4.263 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.821 1.914 -4.025 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.819 0.170 -3.859 1.00 0.36 H new ATOM 0 HG LEU A 74 1.481 1.468 -1.758 1.00 0.39 H new ATOM 0 HD11 LEU A 74 2.940 0.071 -0.356 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.162 -0.854 -1.663 1.00 0.44 H new ATOM 0 HD13 LEU A 74 3.873 -0.383 -1.802 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.474 2.422 -0.629 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.431 2.125 -2.100 1.00 0.44 H new ATOM 0 HD23 LEU A 74 3.079 3.282 -2.136 1.00 0.44 H new ATOM 1112 N LEU A 75 4.198 -1.395 -4.577 1.00 0.29 N ATOM 1113 CA LEU A 75 4.911 -2.648 -4.345 1.00 0.30 C ATOM 1114 C LEU A 75 6.341 -2.516 -4.821 1.00 0.29 C ATOM 1115 O LEU A 75 7.288 -2.818 -4.084 1.00 0.30 O ATOM 1116 CB LEU A 75 4.213 -3.781 -5.111 1.00 0.33 C ATOM 1117 CG LEU A 75 4.795 -5.186 -4.963 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.636 -5.693 -3.549 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.129 -6.124 -5.932 1.00 0.45 C ATOM 0 H LEU A 75 3.353 -1.511 -5.136 1.00 0.29 H new ATOM 0 HA LEU A 75 4.908 -2.875 -3.279 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.171 -3.812 -4.793 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.215 -3.524 -6.170 1.00 0.33 H new ATOM 0 HG LEU A 75 5.861 -5.140 -5.187 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.059 -6.695 -3.472 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.157 -5.026 -2.862 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.578 -5.725 -3.291 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.550 -7.123 -5.819 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.058 -6.157 -5.729 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.295 -5.773 -6.951 1.00 0.45 H new ATOM 1131 N ASP A 76 6.489 -2.041 -6.053 1.00 0.31 N ATOM 1132 CA ASP A 76 7.804 -1.823 -6.638 1.00 0.34 C ATOM 1133 C ASP A 76 8.630 -0.834 -5.828 1.00 0.32 C ATOM 1134 O ASP A 76 9.819 -1.040 -5.637 1.00 0.34 O ATOM 1135 CB ASP A 76 7.729 -1.371 -8.097 1.00 0.45 C ATOM 1136 CG ASP A 76 9.115 -1.169 -8.684 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.794 -2.176 -9.007 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.571 -0.011 -8.801 1.00 1.25 O ATOM 0 H ASP A 76 5.711 -1.799 -6.666 1.00 0.31 H new ATOM 0 HA ASP A 76 8.303 -2.792 -6.614 1.00 0.34 H new ATOM 0 HB2 ASP A 76 7.188 -2.114 -8.683 1.00 0.45 H new ATOM 0 HB3 ASP A 76 7.165 -0.441 -8.163 1.00 0.45 H new ATOM 1143 N LEU A 77 7.989 0.222 -5.325 1.00 0.32 N ATOM 1144 CA LEU A 77 8.684 1.234 -4.539 1.00 0.36 C ATOM 1145 C LEU A 77 9.233 0.601 -3.252 1.00 0.34 C ATOM 1146 O LEU A 77 10.388 0.833 -2.877 1.00 0.40 O ATOM 1147 CB LEU A 77 7.728 2.434 -4.253 1.00 0.41 C ATOM 1148 CG LEU A 77 8.316 3.726 -3.613 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.644 3.561 -2.129 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.547 4.188 -4.383 1.00 1.35 C ATOM 0 H LEU A 77 6.992 0.396 -5.449 1.00 0.32 H new ATOM 0 HA LEU A 77 9.533 1.626 -5.099 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.261 2.716 -5.197 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.933 2.074 -3.599 1.00 0.41 H new ATOM 0 HG LEU A 77 7.540 4.489 -3.678 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.050 4.495 -1.740 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.737 3.304 -1.582 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.379 2.766 -2.005 1.00 0.94 H new ATOM 0 HD21 LEU A 77 9.946 5.092 -3.923 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.305 3.405 -4.361 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.272 4.398 -5.417 1.00 1.35 H new ATOM 1162 N ILE A 78 8.424 -0.235 -2.615 1.00 0.30 N ATOM 1163 CA ILE A 78 8.834 -0.917 -1.391 1.00 0.32 C ATOM 1164 C ILE A 78 9.970 -1.885 -1.710 1.00 0.33 C ATOM 1165 O ILE A 78 11.006 -1.865 -1.056 1.00 0.39 O ATOM 1166 CB ILE A 78 7.653 -1.702 -0.739 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.473 -0.765 -0.431 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.107 -2.417 0.544 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.804 0.365 0.518 1.00 0.42 C ATOM 0 H ILE A 78 7.478 -0.459 -2.925 1.00 0.30 H new ATOM 0 HA ILE A 78 9.165 -0.160 -0.680 1.00 0.32 H new ATOM 0 HB ILE A 78 7.322 -2.454 -1.456 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.107 -0.342 -1.367 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.659 -1.353 -0.007 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.265 -2.956 0.978 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.904 -3.121 0.306 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.474 -1.682 1.260 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.916 0.976 0.680 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.140 -0.046 1.470 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.595 0.981 0.089 1.00 0.42 H new ATOM 1181 N ASN A 79 9.775 -2.708 -2.730 1.00 0.33 N ATOM 1182 CA ASN A 79 10.793 -3.686 -3.147 1.00 0.38 C ATOM 1183 C ASN A 79 12.071 -3.032 -3.602 1.00 0.38 C ATOM 1184 O ASN A 79 13.166 -3.571 -3.388 1.00 0.42 O ATOM 1185 CB ASN A 79 10.257 -4.662 -4.200 1.00 0.46 C ATOM 1186 CG ASN A 79 9.381 -5.700 -3.565 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.591 -6.044 -2.420 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.406 -6.203 -4.276 1.00 0.82 N ATOM 0 H ASN A 79 8.923 -2.725 -3.290 1.00 0.33 H new ATOM 0 HA ASN A 79 11.036 -4.268 -2.258 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.692 -4.115 -4.955 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.089 -5.145 -4.712 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.791 -6.909 -3.871 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.260 -5.889 -5.236 1.00 0.82 H new ATOM 1195 N GLY A 80 11.941 -1.878 -4.209 1.00 0.38 N ATOM 1196 CA GLY A 80 13.079 -1.110 -4.614 1.00 0.46 C ATOM 1197 C GLY A 80 13.847 -0.619 -3.420 1.00 0.50 C ATOM 1198 O GLY A 80 15.054 -0.758 -3.362 1.00 0.62 O ATOM 0 H GLY A 80 11.043 -1.450 -4.433 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.728 -1.719 -5.244 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.754 -0.262 -5.217 1.00 0.46 H new ATOM 1202 N ALA A 81 13.129 -0.122 -2.426 1.00 0.47 N ATOM 1203 CA ALA A 81 13.756 0.392 -1.219 1.00 0.57 C ATOM 1204 C ALA A 81 14.371 -0.747 -0.412 1.00 0.62 C ATOM 1205 O ALA A 81 15.430 -0.593 0.173 1.00 0.80 O ATOM 1206 CB ALA A 81 12.753 1.170 -0.380 1.00 0.59 C ATOM 0 H ALA A 81 12.111 -0.064 -2.431 1.00 0.47 H new ATOM 0 HA ALA A 81 14.554 1.076 -1.510 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.243 1.545 0.518 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.366 2.008 -0.960 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.930 0.514 -0.097 1.00 0.59 H new ATOM 1212 N LEU A 82 13.713 -1.898 -0.417 1.00 0.54 N ATOM 1213 CA LEU A 82 14.233 -3.095 0.247 1.00 0.61 C ATOM 1214 C LEU A 82 15.540 -3.551 -0.392 1.00 0.74 C ATOM 1215 O LEU A 82 16.422 -4.070 0.285 1.00 0.89 O ATOM 1216 CB LEU A 82 13.205 -4.234 0.215 1.00 0.54 C ATOM 1217 CG LEU A 82 11.955 -4.038 1.076 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.968 -5.165 0.839 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.333 -3.981 2.547 1.00 0.68 C ATOM 0 H LEU A 82 12.812 -2.033 -0.876 1.00 0.54 H new ATOM 0 HA LEU A 82 14.428 -2.834 1.287 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.890 -4.383 -0.818 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.700 -5.152 0.533 1.00 0.54 H new ATOM 0 HG LEU A 82 11.486 -3.095 0.794 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.084 -5.011 1.459 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.677 -5.179 -0.211 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.432 -6.116 1.099 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.435 -3.841 3.148 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.820 -4.913 2.834 1.00 0.68 H new ATOM 0 HD23 LEU A 82 13.015 -3.148 2.715 1.00 0.68 H new ATOM 1231 N ALA A 83 15.622 -3.404 -1.708 1.00 0.83 N ATOM 1232 CA ALA A 83 16.829 -3.714 -2.462 1.00 1.07 C ATOM 1233 C ALA A 83 17.965 -2.741 -2.119 1.00 1.28 C ATOM 1234 O ALA A 83 19.136 -3.134 -2.030 1.00 1.46 O ATOM 1235 CB ALA A 83 16.540 -3.692 -3.957 1.00 1.27 C ATOM 0 H ALA A 83 14.851 -3.066 -2.284 1.00 0.83 H new ATOM 0 HA ALA A 83 17.153 -4.716 -2.182 1.00 1.07 H new ATOM 0 HB1 ALA A 83 17.451 -3.925 -4.507 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.775 -4.433 -4.191 1.00 1.27 H new ATOM 0 HB3 ALA A 83 16.186 -2.702 -4.245 1.00 1.27 H new ATOM 1241 N GLU A 84 17.609 -1.472 -1.952 1.00 1.34 N ATOM 1242 CA GLU A 84 18.572 -0.419 -1.637 1.00 1.64 C ATOM 1243 C GLU A 84 19.073 -0.562 -0.208 1.00 1.75 C ATOM 1244 O GLU A 84 20.273 -0.408 0.074 1.00 2.12 O ATOM 1245 CB GLU A 84 17.932 0.958 -1.798 1.00 1.67 C ATOM 1246 CG GLU A 84 17.350 1.230 -3.167 1.00 1.99 C ATOM 1247 CD GLU A 84 18.361 1.131 -4.265 1.00 2.14 C ATOM 1248 OE1 GLU A 84 19.116 2.090 -4.462 1.00 2.25 O ATOM 1249 OE2 GLU A 84 18.390 0.113 -4.984 1.00 2.82 O ATOM 0 H GLU A 84 16.647 -1.143 -2.031 1.00 1.34 H new ATOM 0 HA GLU A 84 19.409 -0.516 -2.328 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.142 1.065 -1.055 1.00 1.67 H new ATOM 0 HB3 GLU A 84 18.681 1.719 -1.579 1.00 1.67 H new ATOM 0 HG2 GLU A 84 16.543 0.523 -3.359 1.00 1.99 H new ATOM 0 HG3 GLU A 84 16.909 2.227 -3.176 1.00 1.99 H new ATOM 1256 N ALA A 85 18.157 -0.833 0.686 1.00 1.60 N ATOM 1257 CA ALA A 85 18.468 -1.008 2.079 1.00 1.87 C ATOM 1258 C ALA A 85 18.977 -2.420 2.328 1.00 2.41 C ATOM 1259 O ALA A 85 19.106 -3.221 1.398 1.00 2.97 O ATOM 1260 CB ALA A 85 17.238 -0.716 2.934 1.00 2.27 C ATOM 0 H ALA A 85 17.167 -0.939 0.465 1.00 1.60 H new ATOM 0 HA ALA A 85 19.253 -0.306 2.359 1.00 1.87 H new ATOM 0 HB1 ALA A 85 17.486 -0.852 3.987 1.00 2.27 H new ATOM 0 HB2 ALA A 85 16.914 0.311 2.767 1.00 2.27 H new ATOM 0 HB3 ALA A 85 16.434 -1.399 2.660 1.00 2.27 H new ATOM 1266 N ALA A 86 19.279 -2.716 3.551 1.00 2.92 N ATOM 1267 CA ALA A 86 19.762 -4.006 3.916 1.00 3.83 C ATOM 1268 C ALA A 86 18.980 -4.498 5.101 1.00 4.59 C ATOM 1269 O ALA A 86 17.943 -5.150 4.906 1.00 5.16 O ATOM 1270 CB ALA A 86 21.249 -3.949 4.228 1.00 4.34 C ATOM 1271 OXT ALA A 86 19.366 -4.217 6.244 1.00 4.98 O ATOM 0 H ALA A 86 19.196 -2.063 4.330 1.00 2.92 H new ATOM 0 HA ALA A 86 19.628 -4.699 3.085 1.00 3.83 H new ATOM 0 HB1 ALA A 86 21.601 -4.943 4.505 1.00 4.34 H new ATOM 0 HB2 ALA A 86 21.792 -3.604 3.348 1.00 4.34 H new ATOM 0 HB3 ALA A 86 21.421 -3.260 5.055 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -7.226 13.135 1.167 1.00 1.09 P HETATM 1279 O26 SXH A 87 -7.341 13.527 -0.337 1.00 1.22 O HETATM 1280 O23 SXH A 87 -8.320 13.623 2.148 1.00 1.42 O HETATM 1281 O27 SXH A 87 -5.859 13.645 1.670 1.00 1.10 O HETATM 1282 C28 SXH A 87 -5.504 13.364 3.056 1.00 1.13 C HETATM 1283 C29 SXH A 87 -4.069 13.779 3.386 1.00 1.27 C HETATM 1284 C30 SXH A 87 -3.810 13.291 4.779 1.00 1.36 C HETATM 1285 C31 SXH A 87 -3.100 13.077 2.425 1.00 1.28 C HETATM 1286 C32 SXH A 87 -3.892 15.369 3.258 1.00 1.57 C HETATM 1287 O33 SXH A 87 -3.871 15.734 1.874 1.00 1.62 O HETATM 1288 C34 SXH A 87 -2.550 15.848 3.823 1.00 1.82 C HETATM 1289 O35 SXH A 87 -1.603 16.078 3.055 1.00 2.00 O HETATM 1290 N36 SXH A 87 -2.476 16.012 5.125 1.00 1.99 N HETATM 1291 C37 SXH A 87 -1.298 16.480 5.849 1.00 2.29 C HETATM 1292 C38 SXH A 87 -0.770 15.471 6.884 1.00 2.49 C HETATM 1293 C39 SXH A 87 0.044 14.301 6.316 1.00 2.41 C HETATM 1294 O40 SXH A 87 0.537 13.430 7.054 1.00 2.91 O HETATM 1295 N41 SXH A 87 0.177 14.301 5.026 1.00 2.12 N HETATM 1296 C42 SXH A 87 0.897 13.304 4.270 1.00 2.36 C HETATM 1297 C43 SXH A 87 0.799 13.572 2.795 1.00 2.13 C HETATM 1298 S1 SXH A 87 1.328 12.210 1.901 1.00 1.95 S HETATM 1299 C1 SXH A 87 0.888 12.807 0.339 1.00 1.93 C HETATM 1300 O1 SXH A 87 0.657 14.008 0.079 1.00 2.69 O HETATM 1301 C2 SXH A 87 0.716 11.740 -0.700 1.00 1.85 C HETATM 1302 C3 SXH A 87 -0.724 11.645 -1.149 1.00 2.13 C HETATM 1303 C4 SXH A 87 -0.917 10.542 -2.153 1.00 2.00 C HETATM 1304 C5 SXH A 87 -2.345 10.510 -2.646 1.00 2.32 C HETATM 1305 C6 SXH A 87 -2.491 9.427 -3.672 1.00 2.32 C HETATM 0 HO33 SXH A 87 -4.516 15.185 1.381 1.00 1.62 H new HETATM 0 HN41 SXH A 87 -0.260 15.062 4.507 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -3.308 15.795 5.673 1.00 1.99 H new HETATM 0 H43A SXH A 87 -0.231 13.810 2.530 1.00 2.13 H new HETATM 0 H42A SXH A 87 1.944 13.298 4.573 1.00 2.36 H new HETATM 0 H38A SXH A 87 -0.150 16.006 7.603 1.00 2.49 H new HETATM 0 H37A SXH A 87 -0.506 16.702 5.133 1.00 2.29 H new HETATM 0 H31B SXH A 87 -3.200 11.997 2.533 1.00 1.28 H new HETATM 0 H31A SXH A 87 -3.334 13.363 1.399 1.00 1.28 H new HETATM 0 H30B SXH A 87 -4.521 13.752 5.464 1.00 1.36 H new HETATM 0 H30A SXH A 87 -3.925 12.208 4.812 1.00 1.36 H new HETATM 0 H28A SXH A 87 -6.193 13.889 3.718 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.821 9.626 -4.508 1.00 2.32 H new HETATM 0 H6A SXH A 87 -2.238 8.466 -3.225 1.00 2.32 H new HETATM 0 H6 SXH A 87 -3.520 9.401 -4.030 1.00 2.32 H new HETATM 0 H5A SXH A 87 -3.025 10.332 -1.813 1.00 2.32 H new HETATM 0 H5 SXH A 87 -2.615 11.474 -3.077 1.00 2.32 H new HETATM 0 H4A SXH A 87 -0.240 10.688 -2.995 1.00 2.00 H new HETATM 0 H43 SXH A 87 1.404 14.441 2.536 1.00 2.13 H new HETATM 0 H42 SXH A 87 0.496 12.315 4.491 1.00 2.36 H new HETATM 0 H4 SXH A 87 -0.662 9.584 -1.701 1.00 2.00 H new HETATM 0 H3A SXH A 87 -1.365 11.468 -0.285 1.00 2.13 H new HETATM 0 H38 SXH A 87 -1.619 15.066 7.435 1.00 2.49 H new HETATM 0 H37 SXH A 87 -1.541 17.414 6.356 1.00 2.29 H new HETATM 0 H32 SXH A 87 -4.719 15.818 3.808 1.00 1.57 H new HETATM 0 H31 SXH A 87 -2.077 13.372 2.660 1.00 1.28 H new HETATM 0 H30 SXH A 87 -2.796 13.558 5.075 1.00 1.36 H new HETATM 0 H3 SXH A 87 -1.033 12.594 -1.586 1.00 2.13 H new HETATM 0 H2A SXH A 87 1.354 11.956 -1.557 1.00 1.85 H new HETATM 0 H28 SXH A 87 -5.625 12.298 3.250 1.00 1.13 H new HETATM 0 H2 SXH A 87 1.039 10.780 -0.297 1.00 1.85 H new