USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 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 40 TYR OH : rot 19:sc= 0.181 USER MOD Set 1.2: A 48 THR OG1 : rot 68:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0363 (180deg=-0.283) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.106 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -67:sc= 1.26 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0857 USER MOD Single : A 17 SER OG : rot 74:sc= 0.548 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 27 SER OG : rot 180:sc= -0.225 USER MOD Single : A 46 MET CE :methyl 138:sc= -0.348 (180deg=-1.14) USER MOD Single : A 54 SER OG : rot 80:sc= 0.354 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -48:sc= -0.153 USER MOD Single : A 79 ASN : amide:sc= 0.0588 K(o=0.059,f=-11!) USER MOD Single : A 87 SXH O33 : rot 12:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.091 -16.078 4.764 1.00 5.89 N ATOM 2 CA MET A 1 10.282 -14.836 5.503 1.00 5.39 C ATOM 3 C MET A 1 10.154 -13.694 4.522 1.00 4.66 C ATOM 4 O MET A 1 10.501 -13.854 3.354 1.00 4.91 O ATOM 5 CB MET A 1 11.657 -14.821 6.217 1.00 5.72 C ATOM 6 CG MET A 1 11.898 -13.582 7.089 1.00 6.12 C ATOM 7 SD MET A 1 13.429 -13.655 8.059 1.00 6.79 S ATOM 8 CE MET A 1 14.656 -13.777 6.755 1.00 7.46 C ATOM 0 H1 MET A 1 10.875 -16.729 4.971 1.00 5.89 H new ATOM 0 H2 MET A 1 9.192 -16.517 5.049 1.00 5.89 H new ATOM 0 H3 MET A 1 10.070 -15.875 3.744 1.00 5.89 H new ATOM 0 HA MET A 1 9.528 -14.739 6.284 1.00 5.39 H new ATOM 0 HB2 MET A 1 11.740 -15.712 6.840 1.00 5.72 H new ATOM 0 HB3 MET A 1 12.445 -14.882 5.466 1.00 5.72 H new ATOM 0 HG2 MET A 1 11.926 -12.699 6.450 1.00 6.12 H new ATOM 0 HG3 MET A 1 11.054 -13.458 7.768 1.00 6.12 H new ATOM 0 HE1 MET A 1 15.648 -13.599 7.171 1.00 7.46 H new ATOM 0 HE2 MET A 1 14.621 -14.773 6.314 1.00 7.46 H new ATOM 0 HE3 MET A 1 14.446 -13.033 5.987 1.00 7.46 H new ATOM 20 N ALA A 2 9.644 -12.564 4.971 1.00 4.17 N ATOM 21 CA ALA A 2 9.408 -11.434 4.102 1.00 3.77 C ATOM 22 C ALA A 2 10.686 -10.690 3.745 1.00 2.58 C ATOM 23 O ALA A 2 11.103 -9.756 4.432 1.00 2.61 O ATOM 24 CB ALA A 2 8.368 -10.489 4.684 1.00 4.69 C ATOM 0 H ALA A 2 9.383 -12.406 5.944 1.00 4.17 H new ATOM 0 HA ALA A 2 9.011 -11.841 3.172 1.00 3.77 H new ATOM 0 HB1 ALA A 2 8.216 -9.651 4.003 1.00 4.69 H new ATOM 0 HB2 ALA A 2 7.427 -11.022 4.819 1.00 4.69 H new ATOM 0 HB3 ALA A 2 8.714 -10.116 5.648 1.00 4.69 H new ATOM 30 N THR A 3 11.340 -11.188 2.750 1.00 2.17 N ATOM 31 CA THR A 3 12.453 -10.538 2.144 1.00 1.65 C ATOM 32 C THR A 3 11.960 -10.163 0.765 1.00 1.51 C ATOM 33 O THR A 3 11.774 -11.042 -0.089 1.00 2.34 O ATOM 34 CB THR A 3 13.624 -11.515 2.059 1.00 2.61 C ATOM 35 OG1 THR A 3 13.891 -12.041 3.378 1.00 3.14 O ATOM 36 CG2 THR A 3 14.875 -10.825 1.535 1.00 3.14 C ATOM 0 H THR A 3 11.108 -12.085 2.323 1.00 2.17 H new ATOM 0 HA THR A 3 12.803 -9.668 2.700 1.00 1.65 H new ATOM 0 HB THR A 3 13.359 -12.318 1.371 1.00 2.61 H new ATOM 0 HG1 THR A 3 14.640 -12.671 3.333 1.00 3.14 H new ATOM 0 HG21 THR A 3 15.693 -11.544 1.485 1.00 3.14 H new ATOM 0 HG22 THR A 3 14.681 -10.426 0.539 1.00 3.14 H new ATOM 0 HG23 THR A 3 15.149 -10.010 2.205 1.00 3.14 H new ATOM 44 N LEU A 4 11.695 -8.871 0.592 1.00 1.02 N ATOM 45 CA LEU A 4 10.965 -8.315 -0.544 1.00 0.89 C ATOM 46 C LEU A 4 9.479 -8.600 -0.340 1.00 0.82 C ATOM 47 O LEU A 4 9.055 -9.754 -0.204 1.00 1.00 O ATOM 48 CB LEU A 4 11.477 -8.796 -1.919 1.00 0.93 C ATOM 49 CG LEU A 4 12.919 -8.403 -2.282 1.00 1.05 C ATOM 50 CD1 LEU A 4 13.308 -8.997 -3.626 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.075 -6.885 -2.308 1.00 1.09 C ATOM 0 H LEU A 4 11.992 -8.159 1.260 1.00 1.02 H new ATOM 0 HA LEU A 4 11.139 -7.239 -0.570 1.00 0.89 H new ATOM 0 HB2 LEU A 4 11.399 -9.883 -1.953 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.811 -8.405 -2.688 1.00 0.93 H new ATOM 0 HG LEU A 4 13.585 -8.803 -1.518 1.00 1.05 H new ATOM 0 HD11 LEU A 4 14.331 -8.710 -3.868 1.00 1.31 H new ATOM 0 HD12 LEU A 4 13.238 -10.084 -3.577 1.00 1.31 H new ATOM 0 HD13 LEU A 4 12.634 -8.624 -4.397 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.102 -6.629 -2.567 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.398 -6.462 -3.050 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.836 -6.478 -1.325 1.00 1.09 H new ATOM 63 N LEU A 5 8.716 -7.551 -0.299 1.00 0.69 N ATOM 64 CA LEU A 5 7.316 -7.593 0.052 1.00 0.62 C ATOM 65 C LEU A 5 6.506 -8.317 -1.039 1.00 0.51 C ATOM 66 O LEU A 5 6.653 -8.024 -2.245 1.00 0.50 O ATOM 67 CB LEU A 5 6.853 -6.129 0.306 1.00 0.64 C ATOM 68 CG LEU A 5 5.450 -5.877 0.879 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.379 -4.486 1.444 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.408 -5.982 -0.181 1.00 1.01 C ATOM 0 H LEU A 5 9.053 -6.612 -0.514 1.00 0.69 H new ATOM 0 HA LEU A 5 7.148 -8.169 0.962 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.572 -5.670 0.985 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.922 -5.594 -0.641 1.00 0.64 H new ATOM 0 HG LEU A 5 5.269 -6.627 1.648 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.383 -4.309 1.850 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.119 -4.377 2.237 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.583 -3.762 0.655 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.426 -5.799 0.255 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.604 -5.243 -0.958 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.431 -6.981 -0.616 1.00 1.01 H new ATOM 82 N THR A 6 5.676 -9.270 -0.627 1.00 0.53 N ATOM 83 CA THR A 6 4.902 -10.039 -1.578 1.00 0.54 C ATOM 84 C THR A 6 3.450 -9.558 -1.647 1.00 0.47 C ATOM 85 O THR A 6 3.061 -8.635 -0.919 1.00 0.45 O ATOM 86 CB THR A 6 4.928 -11.556 -1.260 1.00 0.74 C ATOM 87 OG1 THR A 6 4.358 -11.802 0.040 1.00 0.84 O ATOM 88 CG2 THR A 6 6.351 -12.098 -1.295 1.00 1.01 C ATOM 0 H THR A 6 5.527 -9.522 0.350 1.00 0.53 H new ATOM 0 HA THR A 6 5.373 -9.881 -2.548 1.00 0.54 H new ATOM 0 HB THR A 6 4.339 -12.067 -2.022 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.937 -11.415 0.730 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.340 -13.164 -1.068 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.775 -11.942 -2.287 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.957 -11.576 -0.555 1.00 1.01 H new ATOM 96 N THR A 7 2.655 -10.212 -2.490 1.00 0.53 N ATOM 97 CA THR A 7 1.238 -9.912 -2.663 1.00 0.55 C ATOM 98 C THR A 7 0.530 -9.937 -1.295 1.00 0.49 C ATOM 99 O THR A 7 -0.173 -8.992 -0.926 1.00 0.47 O ATOM 100 CB THR A 7 0.627 -10.992 -3.562 1.00 0.73 C ATOM 101 OG1 THR A 7 1.581 -11.312 -4.600 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.661 -10.479 -4.209 1.00 0.95 C ATOM 0 H THR A 7 2.983 -10.976 -3.080 1.00 0.53 H new ATOM 0 HA THR A 7 1.118 -8.925 -3.110 1.00 0.55 H new ATOM 0 HB THR A 7 0.394 -11.874 -2.965 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.208 -12.004 -5.185 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.084 -11.257 -4.845 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.379 -10.216 -3.432 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.440 -9.598 -4.812 1.00 0.95 H new ATOM 110 N ASP A 8 0.768 -11.019 -0.544 1.00 0.57 N ATOM 111 CA ASP A 8 0.184 -11.224 0.785 1.00 0.61 C ATOM 112 C ASP A 8 0.500 -10.090 1.725 1.00 0.54 C ATOM 113 O ASP A 8 -0.384 -9.571 2.395 1.00 0.53 O ATOM 114 CB ASP A 8 0.685 -12.519 1.421 1.00 0.81 C ATOM 115 CG ASP A 8 0.192 -13.756 0.741 1.00 1.41 C ATOM 116 OD1 ASP A 8 -0.921 -14.221 1.077 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.911 -14.305 -0.112 1.00 2.14 O ATOM 0 H ASP A 8 1.375 -11.781 -0.844 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.894 -11.275 0.631 1.00 0.61 H new ATOM 0 HB2 ASP A 8 1.775 -12.520 1.411 1.00 0.81 H new ATOM 0 HB3 ASP A 8 0.376 -12.543 2.466 1.00 0.81 H new ATOM 122 N ASP A 9 1.757 -9.687 1.753 1.00 0.55 N ATOM 123 CA ASP A 9 2.215 -8.644 2.675 1.00 0.57 C ATOM 124 C ASP A 9 1.586 -7.322 2.328 1.00 0.50 C ATOM 125 O ASP A 9 1.220 -6.545 3.218 1.00 0.57 O ATOM 126 CB ASP A 9 3.741 -8.497 2.669 1.00 0.65 C ATOM 127 CG ASP A 9 4.469 -9.758 3.042 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.497 -10.089 4.251 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.028 -10.434 2.142 1.00 1.61 O ATOM 0 H ASP A 9 2.487 -10.063 1.148 1.00 0.55 H new ATOM 0 HA ASP A 9 1.908 -8.949 3.676 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.063 -8.181 1.677 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.024 -7.705 3.363 1.00 0.65 H new ATOM 134 N LEU A 10 1.440 -7.075 1.033 1.00 0.43 N ATOM 135 CA LEU A 10 0.816 -5.862 0.558 1.00 0.43 C ATOM 136 C LEU A 10 -0.650 -5.894 0.948 1.00 0.41 C ATOM 137 O LEU A 10 -1.167 -4.945 1.510 1.00 0.47 O ATOM 138 CB LEU A 10 0.961 -5.743 -0.969 1.00 0.46 C ATOM 139 CG LEU A 10 0.555 -4.402 -1.585 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.417 -3.277 -1.031 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.671 -4.457 -3.096 1.00 0.79 C ATOM 0 H LEU A 10 1.749 -7.707 0.294 1.00 0.43 H new ATOM 0 HA LEU A 10 1.302 -4.996 1.007 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.001 -5.939 -1.230 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.363 -6.528 -1.432 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.484 -4.204 -1.322 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.114 -2.331 -1.480 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.292 -3.222 0.050 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.464 -3.471 -1.266 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.379 -3.496 -3.519 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.702 -4.677 -3.374 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.016 -5.238 -3.483 1.00 0.79 H new ATOM 153 N ARG A 11 -1.289 -7.026 0.669 1.00 0.39 N ATOM 154 CA ARG A 11 -2.686 -7.272 1.018 1.00 0.44 C ATOM 155 C ARG A 11 -2.958 -6.963 2.477 1.00 0.44 C ATOM 156 O ARG A 11 -3.924 -6.273 2.796 1.00 0.48 O ATOM 157 CB ARG A 11 -3.079 -8.717 0.678 1.00 0.52 C ATOM 158 CG ARG A 11 -4.468 -9.103 1.139 1.00 0.70 C ATOM 159 CD ARG A 11 -4.875 -10.478 0.645 1.00 0.85 C ATOM 160 NE ARG A 11 -3.935 -11.547 1.004 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.202 -12.527 1.883 1.00 1.67 C ATOM 162 NH1 ARG A 11 -5.250 -12.428 2.693 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.389 -13.575 1.995 1.00 2.23 N ATOM 0 H ARG A 11 -0.846 -7.809 0.188 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.303 -6.598 0.423 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -3.014 -8.856 -0.401 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.356 -9.395 1.131 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.506 -9.085 2.228 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.186 -8.364 0.783 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.857 -10.722 1.050 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.976 -10.447 -0.440 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.018 -11.545 0.556 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -5.853 -11.607 2.648 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -5.451 -13.173 3.360 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -2.555 -13.639 1.411 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.600 -14.315 2.665 1.00 2.23 H new ATOM 177 N ARG A 12 -2.091 -7.468 3.346 1.00 0.47 N ATOM 178 CA ARG A 12 -2.194 -7.234 4.782 1.00 0.54 C ATOM 179 C ARG A 12 -2.161 -5.747 5.093 1.00 0.54 C ATOM 180 O ARG A 12 -3.019 -5.248 5.796 1.00 0.62 O ATOM 181 CB ARG A 12 -1.081 -7.957 5.535 1.00 0.64 C ATOM 182 CG ARG A 12 -1.108 -9.460 5.370 1.00 1.04 C ATOM 183 CD ARG A 12 0.077 -10.102 6.047 1.00 1.27 C ATOM 184 NE ARG A 12 0.179 -11.529 5.745 1.00 1.78 N ATOM 185 CZ ARG A 12 1.309 -12.239 5.811 1.00 2.34 C ATOM 186 NH1 ARG A 12 2.406 -11.707 6.332 1.00 2.59 N ATOM 187 NH2 ARG A 12 1.331 -13.493 5.371 1.00 3.25 N ATOM 0 H ARG A 12 -1.298 -8.050 3.076 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.151 -7.635 5.116 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.118 -7.580 5.190 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.157 -7.716 6.595 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.031 -9.859 5.791 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.106 -9.713 4.310 1.00 1.04 H new ATOM 0 HD2 ARG A 12 0.991 -9.599 5.730 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.005 -9.965 7.125 1.00 1.27 H new ATOM 0 HE ARG A 12 -0.672 -12.017 5.464 1.00 1.78 H new ATOM 0 HH11 ARG A 12 2.391 -10.750 6.685 1.00 2.59 H new ATOM 0 HH12 ARG A 12 3.265 -12.254 6.379 1.00 2.59 H new ATOM 0 HH21 ARG A 12 0.486 -13.912 4.983 1.00 3.25 H new ATOM 0 HH22 ARG A 12 2.193 -14.036 5.421 1.00 3.25 H new ATOM 201 N ALA A 13 -1.222 -5.037 4.486 1.00 0.52 N ATOM 202 CA ALA A 13 -1.061 -3.611 4.733 1.00 0.59 C ATOM 203 C ALA A 13 -2.312 -2.840 4.314 1.00 0.59 C ATOM 204 O ALA A 13 -2.794 -1.977 5.058 1.00 0.69 O ATOM 205 CB ALA A 13 0.163 -3.082 4.003 1.00 0.66 C ATOM 0 H ALA A 13 -0.558 -5.426 3.817 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.917 -3.464 5.803 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.270 -2.015 4.198 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.052 -3.606 4.356 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.047 -3.246 2.932 1.00 0.66 H new ATOM 211 N LEU A 14 -2.854 -3.171 3.149 1.00 0.52 N ATOM 212 CA LEU A 14 -4.060 -2.567 2.671 1.00 0.55 C ATOM 213 C LEU A 14 -5.264 -2.893 3.557 1.00 0.58 C ATOM 214 O LEU A 14 -5.997 -1.989 3.954 1.00 0.68 O ATOM 215 CB LEU A 14 -4.323 -3.007 1.238 1.00 0.52 C ATOM 216 CG LEU A 14 -3.563 -2.289 0.113 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.012 -0.854 -0.017 1.00 1.30 C ATOM 218 CD2 LEU A 14 -2.057 -2.337 0.275 1.00 1.05 C ATOM 0 H LEU A 14 -2.458 -3.868 2.519 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.923 -1.486 2.704 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -4.096 -4.071 1.168 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -5.390 -2.895 1.045 1.00 0.52 H new ATOM 0 HG LEU A 14 -3.807 -2.835 -0.798 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.457 -0.371 -0.821 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -5.078 -0.825 -0.243 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.826 -0.328 0.920 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -1.585 -1.811 -0.555 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -1.777 -1.860 1.214 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -1.725 -3.375 0.282 1.00 1.05 H new ATOM 230 N VAL A 15 -5.463 -4.162 3.884 1.00 0.57 N ATOM 231 CA VAL A 15 -6.625 -4.560 4.677 1.00 0.66 C ATOM 232 C VAL A 15 -6.545 -4.016 6.137 1.00 0.72 C ATOM 233 O VAL A 15 -7.573 -3.697 6.750 1.00 0.91 O ATOM 234 CB VAL A 15 -6.892 -6.118 4.638 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.806 -6.903 5.342 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.265 -6.462 5.203 1.00 1.01 C ATOM 0 H VAL A 15 -4.845 -4.928 3.618 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.490 -4.094 4.206 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.874 -6.412 3.589 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.034 -7.968 5.289 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.848 -6.712 4.859 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.753 -6.595 6.386 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.416 -7.541 5.161 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.327 -6.127 6.238 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -9.036 -5.965 4.614 1.00 1.01 H new ATOM 246 N GLU A 16 -5.323 -3.868 6.655 1.00 0.66 N ATOM 247 CA GLU A 16 -5.095 -3.343 8.006 1.00 0.79 C ATOM 248 C GLU A 16 -5.294 -1.839 8.086 1.00 0.83 C ATOM 249 O GLU A 16 -5.889 -1.332 9.038 1.00 0.98 O ATOM 250 CB GLU A 16 -3.688 -3.652 8.482 1.00 0.94 C ATOM 251 CG GLU A 16 -3.414 -5.085 8.870 1.00 1.08 C ATOM 252 CD GLU A 16 -1.962 -5.270 9.226 1.00 1.28 C ATOM 253 OE1 GLU A 16 -1.520 -4.758 10.266 1.00 1.49 O ATOM 254 OE2 GLU A 16 -1.231 -5.984 8.498 1.00 1.71 O ATOM 0 H GLU A 16 -4.467 -4.107 6.154 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.831 -3.835 8.642 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.990 -3.372 7.693 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.470 -3.017 9.341 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -4.040 -5.364 9.718 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.679 -5.748 8.046 1.00 1.08 H new ATOM 261 N SER A 17 -4.811 -1.122 7.094 1.00 0.77 N ATOM 262 CA SER A 17 -4.861 0.330 7.131 1.00 0.91 C ATOM 263 C SER A 17 -6.253 0.843 6.779 1.00 0.95 C ATOM 264 O SER A 17 -6.609 1.981 7.096 1.00 1.24 O ATOM 265 CB SER A 17 -3.810 0.902 6.203 1.00 0.98 C ATOM 266 OG SER A 17 -2.542 0.327 6.491 1.00 1.24 O ATOM 0 H SER A 17 -4.381 -1.514 6.256 1.00 0.77 H new ATOM 0 HA SER A 17 -4.645 0.663 8.146 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.082 0.703 5.166 1.00 0.98 H new ATOM 0 HB3 SER A 17 -3.762 1.985 6.318 1.00 0.98 H new ATOM 0 HG SER A 17 -2.518 -0.595 6.160 1.00 1.24 H new ATOM 272 N ALA A 18 -7.041 -0.004 6.153 1.00 0.83 N ATOM 273 CA ALA A 18 -8.392 0.315 5.855 1.00 0.94 C ATOM 274 C ALA A 18 -9.195 0.170 7.108 1.00 1.41 C ATOM 275 O ALA A 18 -9.271 -0.916 7.679 1.00 2.05 O ATOM 276 CB ALA A 18 -8.946 -0.613 4.796 1.00 1.05 C ATOM 0 H ALA A 18 -6.749 -0.930 5.842 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.445 1.335 5.475 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.982 -0.348 4.586 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.355 -0.519 3.885 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.900 -1.642 5.154 1.00 1.05 H new ATOM 282 N GLY A 19 -9.788 1.237 7.537 1.00 1.80 N ATOM 283 CA GLY A 19 -10.603 1.197 8.731 1.00 2.47 C ATOM 284 C GLY A 19 -12.044 0.914 8.389 1.00 2.48 C ATOM 285 O GLY A 19 -12.970 1.337 9.093 1.00 3.01 O ATOM 0 H GLY A 19 -9.730 2.150 7.087 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -10.228 0.429 9.407 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -10.530 2.148 9.258 1.00 2.47 H new ATOM 289 N GLU A 20 -12.231 0.212 7.307 1.00 2.56 N ATOM 290 CA GLU A 20 -13.524 -0.112 6.799 1.00 2.99 C ATOM 291 C GLU A 20 -13.816 -1.554 7.136 1.00 3.37 C ATOM 292 O GLU A 20 -13.106 -2.457 6.690 1.00 3.90 O ATOM 293 CB GLU A 20 -13.559 0.086 5.279 1.00 3.57 C ATOM 294 CG GLU A 20 -13.081 1.461 4.815 1.00 4.14 C ATOM 295 CD GLU A 20 -13.817 2.586 5.490 1.00 4.54 C ATOM 296 OE1 GLU A 20 -14.988 2.820 5.170 1.00 4.96 O ATOM 297 OE2 GLU A 20 -13.241 3.253 6.368 1.00 4.80 O ATOM 0 H GLU A 20 -11.466 -0.158 6.743 1.00 2.56 H new ATOM 0 HA GLU A 20 -14.274 0.539 7.247 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -12.940 -0.679 4.810 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -14.579 -0.069 4.927 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -12.014 1.558 5.015 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -13.211 1.542 3.736 1.00 4.14 H new ATOM 304 N THR A 21 -14.833 -1.775 7.904 1.00 3.68 N ATOM 305 CA THR A 21 -15.185 -3.103 8.324 1.00 4.48 C ATOM 306 C THR A 21 -16.448 -3.554 7.563 1.00 4.44 C ATOM 307 O THR A 21 -17.327 -4.269 8.073 1.00 4.98 O ATOM 308 CB THR A 21 -15.370 -3.130 9.854 1.00 5.48 C ATOM 309 OG1 THR A 21 -14.242 -2.448 10.446 1.00 5.80 O ATOM 310 CG2 THR A 21 -15.385 -4.557 10.386 1.00 6.23 C ATOM 0 H THR A 21 -15.447 -1.043 8.261 1.00 3.68 H new ATOM 0 HA THR A 21 -14.388 -3.808 8.087 1.00 4.48 H new ATOM 0 HB THR A 21 -16.318 -2.654 10.103 1.00 5.48 H new ATOM 0 HG1 THR A 21 -14.335 -2.449 11.422 1.00 5.80 H new ATOM 0 HG21 THR A 21 -15.517 -4.541 11.468 1.00 6.23 H new ATOM 0 HG22 THR A 21 -16.207 -5.107 9.928 1.00 6.23 H new ATOM 0 HG23 THR A 21 -14.442 -5.046 10.143 1.00 6.23 H new ATOM 318 N ASP A 22 -16.476 -3.167 6.321 1.00 4.14 N ATOM 319 CA ASP A 22 -17.502 -3.506 5.378 1.00 4.35 C ATOM 320 C ASP A 22 -16.847 -3.358 4.040 1.00 4.02 C ATOM 321 O ASP A 22 -15.846 -2.627 3.943 1.00 4.29 O ATOM 322 CB ASP A 22 -18.728 -2.564 5.483 1.00 4.92 C ATOM 323 CG ASP A 22 -18.531 -1.178 4.870 1.00 5.42 C ATOM 324 OD1 ASP A 22 -17.787 -0.357 5.466 1.00 5.81 O ATOM 325 OD2 ASP A 22 -19.090 -0.892 3.778 1.00 5.76 O ATOM 0 H ASP A 22 -15.748 -2.577 5.918 1.00 4.14 H new ATOM 0 HA ASP A 22 -17.887 -4.510 5.557 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -19.578 -3.043 4.996 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -18.988 -2.446 6.535 1.00 4.92 H new ATOM 330 N GLY A 23 -17.337 -4.049 3.039 1.00 3.87 N ATOM 331 CA GLY A 23 -16.718 -3.985 1.737 1.00 3.86 C ATOM 332 C GLY A 23 -15.347 -4.620 1.753 1.00 3.70 C ATOM 333 O GLY A 23 -14.386 -4.083 1.194 1.00 4.24 O ATOM 0 H GLY A 23 -18.154 -4.656 3.099 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -17.348 -4.492 1.006 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -16.637 -2.945 1.421 1.00 3.86 H new ATOM 337 N THR A 24 -15.247 -5.784 2.368 1.00 3.36 N ATOM 338 CA THR A 24 -13.977 -6.473 2.519 1.00 3.53 C ATOM 339 C THR A 24 -13.571 -7.244 1.248 1.00 2.73 C ATOM 340 O THR A 24 -13.047 -8.359 1.310 1.00 3.11 O ATOM 341 CB THR A 24 -14.004 -7.403 3.747 1.00 4.59 C ATOM 342 OG1 THR A 24 -15.188 -8.217 3.702 1.00 5.10 O ATOM 343 CG2 THR A 24 -13.981 -6.595 5.041 1.00 5.14 C ATOM 0 H THR A 24 -16.041 -6.278 2.776 1.00 3.36 H new ATOM 0 HA THR A 24 -13.215 -5.710 2.679 1.00 3.53 H new ATOM 0 HB THR A 24 -13.118 -8.038 3.725 1.00 4.59 H new ATOM 0 HG1 THR A 24 -15.207 -8.811 4.481 1.00 5.10 H new ATOM 0 HG21 THR A 24 -14.001 -7.273 5.894 1.00 5.14 H new ATOM 0 HG22 THR A 24 -13.073 -5.992 5.078 1.00 5.14 H new ATOM 0 HG23 THR A 24 -14.852 -5.941 5.077 1.00 5.14 H new ATOM 351 N ASP A 25 -13.754 -6.601 0.109 1.00 2.22 N ATOM 352 CA ASP A 25 -13.371 -7.166 -1.175 1.00 2.06 C ATOM 353 C ASP A 25 -11.913 -6.882 -1.410 1.00 1.66 C ATOM 354 O ASP A 25 -11.250 -7.551 -2.209 1.00 1.97 O ATOM 355 CB ASP A 25 -14.205 -6.577 -2.309 1.00 2.79 C ATOM 356 CG ASP A 25 -13.869 -7.174 -3.667 1.00 3.18 C ATOM 357 OD1 ASP A 25 -14.179 -8.356 -3.913 1.00 3.49 O ATOM 358 OD2 ASP A 25 -13.230 -6.483 -4.488 1.00 3.73 O ATOM 0 H ASP A 25 -14.172 -5.673 0.047 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.549 -8.241 -1.157 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -15.262 -6.741 -2.098 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -14.050 -5.499 -2.344 1.00 2.79 H new ATOM 363 N LEU A 26 -11.408 -5.881 -0.689 1.00 1.45 N ATOM 364 CA LEU A 26 -10.012 -5.506 -0.739 1.00 1.10 C ATOM 365 C LEU A 26 -9.180 -6.561 -0.025 1.00 1.10 C ATOM 366 O LEU A 26 -8.856 -6.451 1.162 1.00 1.60 O ATOM 367 CB LEU A 26 -9.778 -4.111 -0.140 1.00 0.99 C ATOM 368 CG LEU A 26 -8.325 -3.618 -0.120 1.00 1.10 C ATOM 369 CD1 LEU A 26 -7.765 -3.509 -1.530 1.00 1.49 C ATOM 370 CD2 LEU A 26 -8.229 -2.290 0.602 1.00 1.62 C ATOM 0 H LEU A 26 -11.966 -5.310 -0.054 1.00 1.45 H new ATOM 0 HA LEU A 26 -9.701 -5.454 -1.783 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -10.376 -3.393 -0.701 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -10.154 -4.110 0.883 1.00 0.99 H new ATOM 0 HG LEU A 26 -7.724 -4.349 0.420 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -6.734 -3.158 -1.486 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -7.795 -4.487 -2.010 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -8.364 -2.804 -2.106 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -7.192 -1.953 0.608 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -8.847 -1.552 0.091 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -8.578 -2.408 1.628 1.00 1.62 H new ATOM 382 N SER A 27 -8.942 -7.604 -0.742 1.00 1.08 N ATOM 383 CA SER A 27 -8.222 -8.729 -0.325 1.00 1.10 C ATOM 384 C SER A 27 -8.048 -9.568 -1.564 1.00 1.13 C ATOM 385 O SER A 27 -8.529 -9.172 -2.640 1.00 1.60 O ATOM 386 CB SER A 27 -9.004 -9.505 0.749 1.00 1.37 C ATOM 387 OG SER A 27 -8.252 -10.595 1.255 1.00 1.84 O ATOM 0 H SER A 27 -9.275 -7.686 -1.703 1.00 1.08 H new ATOM 0 HA SER A 27 -7.265 -8.458 0.121 1.00 1.10 H new ATOM 0 HB2 SER A 27 -9.267 -8.833 1.566 1.00 1.37 H new ATOM 0 HB3 SER A 27 -9.939 -9.872 0.325 1.00 1.37 H new ATOM 0 HG SER A 27 -8.776 -11.066 1.936 1.00 1.84 H new ATOM 393 N GLY A 28 -7.409 -10.696 -1.419 1.00 0.95 N ATOM 394 CA GLY A 28 -7.127 -11.560 -2.540 1.00 1.09 C ATOM 395 C GLY A 28 -6.261 -10.860 -3.557 1.00 0.84 C ATOM 396 O GLY A 28 -5.085 -10.580 -3.292 1.00 1.04 O ATOM 0 H GLY A 28 -7.068 -11.045 -0.523 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -6.626 -12.463 -2.191 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -8.061 -11.873 -3.006 1.00 1.09 H new ATOM 400 N ASP A 29 -6.842 -10.531 -4.680 1.00 0.80 N ATOM 401 CA ASP A 29 -6.136 -9.835 -5.724 1.00 0.86 C ATOM 402 C ASP A 29 -6.642 -8.402 -5.769 1.00 0.77 C ATOM 403 O ASP A 29 -7.845 -8.153 -5.599 1.00 1.01 O ATOM 404 CB ASP A 29 -6.301 -10.530 -7.088 1.00 1.28 C ATOM 405 CG ASP A 29 -7.648 -10.327 -7.749 1.00 1.96 C ATOM 406 OD1 ASP A 29 -8.659 -10.916 -7.297 1.00 2.61 O ATOM 407 OD2 ASP A 29 -7.718 -9.579 -8.754 1.00 2.38 O ATOM 0 H ASP A 29 -7.817 -10.737 -4.897 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.068 -9.844 -5.506 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -5.524 -10.167 -7.761 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -6.135 -11.599 -6.957 1.00 1.28 H new ATOM 412 N PHE A 30 -5.739 -7.471 -5.974 1.00 0.58 N ATOM 413 CA PHE A 30 -6.075 -6.039 -5.901 1.00 0.52 C ATOM 414 C PHE A 30 -4.970 -5.148 -6.509 1.00 0.46 C ATOM 415 O PHE A 30 -5.158 -3.948 -6.646 1.00 0.44 O ATOM 416 CB PHE A 30 -6.276 -5.630 -4.420 1.00 0.56 C ATOM 417 CG PHE A 30 -5.017 -5.740 -3.587 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.564 -6.977 -3.162 1.00 0.67 C ATOM 419 CD2 PHE A 30 -4.308 -4.607 -3.208 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.443 -7.082 -2.379 1.00 0.84 C ATOM 421 CE2 PHE A 30 -3.187 -4.711 -2.429 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.682 -5.934 -2.122 1.00 0.89 C ATOM 0 H PHE A 30 -4.762 -7.664 -6.194 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.989 -5.891 -6.476 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.639 -4.603 -4.381 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.050 -6.259 -3.979 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.099 -7.870 -3.450 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.645 -3.633 -3.532 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.151 -8.036 -1.966 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.704 -3.819 -2.058 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.699 -6.021 -1.682 1.00 0.89 H new ATOM 432 N LEU A 31 -3.832 -5.748 -6.855 1.00 0.48 N ATOM 433 CA LEU A 31 -2.630 -5.059 -7.347 1.00 0.49 C ATOM 434 C LEU A 31 -2.922 -4.084 -8.510 1.00 0.43 C ATOM 435 O LEU A 31 -2.246 -3.057 -8.662 1.00 0.46 O ATOM 436 CB LEU A 31 -1.610 -6.114 -7.792 1.00 0.62 C ATOM 437 CG LEU A 31 -0.194 -5.633 -8.060 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.455 -5.169 -6.769 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.629 -6.732 -8.709 1.00 1.53 C ATOM 0 H LEU A 31 -3.713 -6.760 -6.800 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.237 -4.453 -6.531 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.566 -6.887 -7.025 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -1.985 -6.586 -8.700 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.237 -4.789 -8.749 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.469 -4.827 -6.974 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.125 -4.350 -6.344 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.488 -5.997 -6.060 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.640 -6.369 -8.893 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.669 -7.596 -8.046 1.00 1.53 H new ATOM 0 HD23 LEU A 31 0.169 -7.021 -9.654 1.00 1.53 H new ATOM 451 N ASP A 32 -3.928 -4.404 -9.303 1.00 0.43 N ATOM 452 CA ASP A 32 -4.264 -3.612 -10.491 1.00 0.49 C ATOM 453 C ASP A 32 -5.404 -2.636 -10.231 1.00 0.41 C ATOM 454 O ASP A 32 -5.772 -1.868 -11.116 1.00 0.51 O ATOM 455 CB ASP A 32 -4.677 -4.523 -11.659 1.00 0.68 C ATOM 456 CG ASP A 32 -3.631 -5.529 -12.059 1.00 1.43 C ATOM 457 OD1 ASP A 32 -2.649 -5.146 -12.731 1.00 2.17 O ATOM 458 OD2 ASP A 32 -3.742 -6.714 -11.684 1.00 1.99 O ATOM 0 H ASP A 32 -4.535 -5.210 -9.152 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.364 -3.051 -10.743 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -5.589 -5.054 -11.386 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -4.916 -3.902 -12.522 1.00 0.68 H new ATOM 463 N LEU A 33 -5.957 -2.652 -9.042 1.00 0.36 N ATOM 464 CA LEU A 33 -7.115 -1.816 -8.739 1.00 0.35 C ATOM 465 C LEU A 33 -6.682 -0.419 -8.335 1.00 0.32 C ATOM 466 O LEU A 33 -5.673 -0.251 -7.688 1.00 0.38 O ATOM 467 CB LEU A 33 -7.972 -2.454 -7.642 1.00 0.46 C ATOM 468 CG LEU A 33 -8.528 -3.847 -7.958 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.375 -4.360 -6.809 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.333 -3.822 -9.244 1.00 1.56 C ATOM 0 H LEU A 33 -5.633 -3.229 -8.266 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.720 -1.736 -9.642 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.375 -2.519 -6.732 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.809 -1.789 -7.428 1.00 0.46 H new ATOM 0 HG LEU A 33 -7.687 -4.527 -8.093 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.760 -5.350 -7.054 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.766 -4.420 -5.907 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -10.209 -3.679 -6.639 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.719 -4.820 -9.451 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -10.165 -3.126 -9.139 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.694 -3.502 -10.067 1.00 1.56 H new ATOM 482 N ARG A 34 -7.438 0.574 -8.732 1.00 0.39 N ATOM 483 CA ARG A 34 -7.096 1.963 -8.405 1.00 0.49 C ATOM 484 C ARG A 34 -7.435 2.232 -6.952 1.00 0.45 C ATOM 485 O ARG A 34 -8.450 1.736 -6.462 1.00 0.50 O ATOM 486 CB ARG A 34 -7.913 2.938 -9.254 1.00 0.73 C ATOM 487 CG ARG A 34 -7.864 2.704 -10.739 1.00 0.89 C ATOM 488 CD ARG A 34 -6.472 2.841 -11.303 1.00 0.95 C ATOM 489 NE ARG A 34 -6.473 2.587 -12.739 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.569 3.054 -13.606 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.589 3.849 -13.196 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.690 2.770 -14.888 1.00 3.48 N ATOM 0 H ARG A 34 -8.292 0.463 -9.279 1.00 0.39 H new ATOM 0 HA ARG A 34 -6.033 2.104 -8.599 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.953 2.890 -8.931 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.562 3.950 -9.052 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -8.244 1.706 -10.958 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -8.525 3.414 -11.237 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -6.091 3.843 -11.106 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.801 2.141 -10.805 1.00 0.95 H new ATOM 0 HE ARG A 34 -7.224 2.006 -13.112 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.521 4.109 -12.212 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.904 4.200 -13.865 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -6.469 2.198 -15.212 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -5.004 3.123 -15.555 1.00 3.48 H new ATOM 506 N PHE A 35 -6.606 2.987 -6.259 1.00 0.43 N ATOM 507 CA PHE A 35 -6.916 3.387 -4.883 1.00 0.43 C ATOM 508 C PHE A 35 -8.274 4.093 -4.794 1.00 0.48 C ATOM 509 O PHE A 35 -9.088 3.785 -3.929 1.00 0.52 O ATOM 510 CB PHE A 35 -5.799 4.208 -4.234 1.00 0.44 C ATOM 511 CG PHE A 35 -4.538 3.421 -4.016 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.529 2.314 -3.198 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.356 3.809 -4.623 1.00 0.53 C ATOM 514 CE1 PHE A 35 -3.366 1.599 -2.988 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.192 3.100 -4.418 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.223 1.945 -3.625 1.00 0.60 C ATOM 0 H PHE A 35 -5.717 3.338 -6.614 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.986 2.467 -4.303 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.578 5.070 -4.863 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -6.149 4.594 -3.277 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -5.442 2.001 -2.714 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.346 4.678 -5.265 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.369 0.758 -2.311 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.266 3.431 -4.864 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.339 1.334 -3.523 1.00 0.60 H new ATOM 526 N GLU A 36 -8.524 5.006 -5.728 1.00 0.53 N ATOM 527 CA GLU A 36 -9.815 5.720 -5.839 1.00 0.67 C ATOM 528 C GLU A 36 -10.990 4.741 -6.023 1.00 0.73 C ATOM 529 O GLU A 36 -12.120 5.021 -5.650 1.00 0.87 O ATOM 530 CB GLU A 36 -9.782 6.692 -7.028 1.00 0.75 C ATOM 531 CG GLU A 36 -9.468 6.015 -8.356 1.00 1.26 C ATOM 532 CD GLU A 36 -9.580 6.931 -9.533 1.00 1.59 C ATOM 533 OE1 GLU A 36 -8.689 7.798 -9.715 1.00 1.90 O ATOM 534 OE2 GLU A 36 -10.569 6.828 -10.280 1.00 2.04 O ATOM 0 H GLU A 36 -7.843 5.280 -6.436 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.964 6.271 -4.910 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.747 7.194 -7.104 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -9.036 7.463 -6.837 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.458 5.608 -8.317 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -10.146 5.173 -8.495 1.00 1.26 H new ATOM 541 N ASP A 37 -10.685 3.590 -6.565 1.00 0.70 N ATOM 542 CA ASP A 37 -11.672 2.592 -6.931 1.00 0.83 C ATOM 543 C ASP A 37 -11.995 1.687 -5.757 1.00 0.82 C ATOM 544 O ASP A 37 -13.126 1.208 -5.613 1.00 0.98 O ATOM 545 CB ASP A 37 -11.129 1.783 -8.106 1.00 0.94 C ATOM 546 CG ASP A 37 -12.036 0.686 -8.565 1.00 1.41 C ATOM 547 OD1 ASP A 37 -13.093 0.983 -9.132 1.00 1.71 O ATOM 548 OD2 ASP A 37 -11.735 -0.489 -8.291 1.00 2.12 O ATOM 0 H ASP A 37 -9.726 3.309 -6.771 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.600 3.086 -7.220 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -10.941 2.458 -8.941 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -10.169 1.351 -7.823 1.00 0.94 H new ATOM 553 N ILE A 38 -11.018 1.486 -4.898 1.00 0.68 N ATOM 554 CA ILE A 38 -11.192 0.642 -3.723 1.00 0.70 C ATOM 555 C ILE A 38 -11.505 1.473 -2.485 1.00 0.72 C ATOM 556 O ILE A 38 -11.442 0.979 -1.357 1.00 0.82 O ATOM 557 CB ILE A 38 -9.958 -0.267 -3.449 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.677 0.581 -3.311 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.814 -1.308 -4.545 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.415 -0.211 -3.029 1.00 0.75 C ATOM 0 H ILE A 38 -10.088 1.896 -4.988 1.00 0.68 H new ATOM 0 HA ILE A 38 -12.040 -0.007 -3.942 1.00 0.70 H new ATOM 0 HB ILE A 38 -10.113 -0.790 -2.505 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.534 1.149 -4.230 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.822 1.304 -2.508 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.947 -1.936 -4.339 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.710 -1.927 -4.579 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.681 -0.809 -5.505 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.568 0.470 -2.949 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -7.530 -0.758 -2.093 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.238 -0.915 -3.842 1.00 0.75 H new ATOM 572 N GLY A 39 -11.902 2.719 -2.716 1.00 0.75 N ATOM 573 CA GLY A 39 -12.238 3.626 -1.635 1.00 0.87 C ATOM 574 C GLY A 39 -11.057 3.885 -0.724 1.00 0.68 C ATOM 575 O GLY A 39 -11.201 3.975 0.497 1.00 0.76 O ATOM 0 H GLY A 39 -11.998 3.122 -3.648 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.589 4.571 -2.050 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -13.060 3.208 -1.053 1.00 0.87 H new ATOM 579 N TYR A 40 -9.888 3.989 -1.307 1.00 0.55 N ATOM 580 CA TYR A 40 -8.704 4.194 -0.542 1.00 0.52 C ATOM 581 C TYR A 40 -8.265 5.623 -0.629 1.00 0.56 C ATOM 582 O TYR A 40 -7.720 6.058 -1.643 1.00 0.71 O ATOM 583 CB TYR A 40 -7.589 3.262 -0.994 1.00 0.60 C ATOM 584 CG TYR A 40 -6.995 2.536 0.153 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.676 1.492 0.736 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.779 2.904 0.681 1.00 0.62 C ATOM 587 CE1 TYR A 40 -7.171 0.840 1.819 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.257 2.244 1.761 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.960 1.215 2.333 1.00 0.93 C ATOM 590 OH TYR A 40 -5.462 0.579 3.435 1.00 1.21 O ATOM 0 H TYR A 40 -9.741 3.933 -2.315 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.931 3.963 0.499 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.981 2.546 -1.716 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.815 3.837 -1.503 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.627 1.185 0.327 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.230 3.722 0.239 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.724 0.030 2.271 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.296 2.532 2.161 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.918 -0.281 3.550 1.00 1.21 H new ATOM 600 N ASP A 41 -8.534 6.357 0.409 1.00 0.58 N ATOM 601 CA ASP A 41 -8.168 7.752 0.474 1.00 0.77 C ATOM 602 C ASP A 41 -6.773 7.917 1.038 1.00 0.91 C ATOM 603 O ASP A 41 -6.164 6.943 1.507 1.00 1.78 O ATOM 604 CB ASP A 41 -9.187 8.586 1.268 1.00 0.86 C ATOM 605 CG ASP A 41 -10.506 8.780 0.545 1.00 1.62 C ATOM 606 OD1 ASP A 41 -10.575 9.597 -0.393 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.516 8.130 0.911 1.00 2.34 O ATOM 0 H ASP A 41 -9.014 6.011 1.240 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.174 8.133 -0.547 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -9.375 8.100 2.225 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -8.754 9.562 1.486 1.00 0.86 H new ATOM 612 N SER A 42 -6.287 9.145 0.991 1.00 0.59 N ATOM 613 CA SER A 42 -4.951 9.536 1.420 1.00 0.58 C ATOM 614 C SER A 42 -4.567 9.008 2.812 1.00 0.51 C ATOM 615 O SER A 42 -3.476 8.468 2.980 1.00 0.51 O ATOM 616 CB SER A 42 -4.853 11.057 1.367 1.00 0.71 C ATOM 617 OG SER A 42 -3.587 11.532 1.883 1.00 0.97 O ATOM 0 H SER A 42 -6.833 9.931 0.639 1.00 0.59 H new ATOM 0 HA SER A 42 -4.235 9.079 0.737 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.975 11.394 0.337 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.668 11.494 1.944 1.00 0.71 H new ATOM 622 N LEU A 43 -5.466 9.139 3.773 1.00 0.48 N ATOM 623 CA LEU A 43 -5.201 8.755 5.155 1.00 0.51 C ATOM 624 C LEU A 43 -4.805 7.282 5.255 1.00 0.46 C ATOM 625 O LEU A 43 -3.717 6.952 5.724 1.00 0.50 O ATOM 626 CB LEU A 43 -6.432 9.079 6.019 1.00 0.60 C ATOM 627 CG LEU A 43 -6.300 8.950 7.547 1.00 0.76 C ATOM 628 CD1 LEU A 43 -7.397 9.739 8.182 1.00 1.40 C ATOM 629 CD2 LEU A 43 -6.417 7.504 8.012 1.00 1.64 C ATOM 0 H LEU A 43 -6.402 9.515 3.620 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.354 9.329 5.531 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.736 10.102 5.796 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.245 8.428 5.698 1.00 0.60 H new ATOM 0 HG LEU A 43 -5.316 9.320 7.835 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -7.321 9.660 9.266 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -7.311 10.785 7.887 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -8.361 9.349 7.857 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -6.318 7.461 9.097 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -7.389 7.106 7.721 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.628 6.909 7.552 1.00 1.64 H new ATOM 641 N ALA A 44 -5.672 6.415 4.789 1.00 0.44 N ATOM 642 CA ALA A 44 -5.418 4.989 4.837 1.00 0.45 C ATOM 643 C ALA A 44 -4.247 4.622 3.935 1.00 0.41 C ATOM 644 O ALA A 44 -3.452 3.738 4.260 1.00 0.47 O ATOM 645 CB ALA A 44 -6.665 4.217 4.450 1.00 0.51 C ATOM 0 H ALA A 44 -6.566 6.671 4.369 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.153 4.717 5.859 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.458 3.148 4.491 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.471 4.457 5.143 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.963 4.491 3.438 1.00 0.51 H new ATOM 651 N LEU A 45 -4.128 5.331 2.820 1.00 0.39 N ATOM 652 CA LEU A 45 -3.064 5.099 1.856 1.00 0.42 C ATOM 653 C LEU A 45 -1.697 5.368 2.475 1.00 0.41 C ATOM 654 O LEU A 45 -0.774 4.544 2.359 1.00 0.44 O ATOM 655 CB LEU A 45 -3.264 5.974 0.613 1.00 0.50 C ATOM 656 CG LEU A 45 -2.237 5.802 -0.499 1.00 0.61 C ATOM 657 CD1 LEU A 45 -2.255 4.383 -1.016 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.491 6.790 -1.624 1.00 0.90 C ATOM 0 H LEU A 45 -4.767 6.082 2.560 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.104 4.051 1.558 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.252 5.767 0.203 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.261 7.019 0.924 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.248 6.006 -0.090 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.516 4.276 -1.810 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -2.017 3.697 -0.203 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -3.245 4.151 -1.408 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.746 6.649 -2.407 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.486 6.624 -2.036 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.423 7.807 -1.237 1.00 0.90 H new ATOM 670 N MET A 46 -1.577 6.496 3.153 1.00 0.42 N ATOM 671 CA MET A 46 -0.329 6.859 3.785 1.00 0.48 C ATOM 672 C MET A 46 -0.018 5.892 4.914 1.00 0.46 C ATOM 673 O MET A 46 1.124 5.478 5.077 1.00 0.53 O ATOM 674 CB MET A 46 -0.308 8.357 4.238 1.00 0.57 C ATOM 675 CG MET A 46 -1.204 8.752 5.419 1.00 0.58 C ATOM 676 SD MET A 46 -0.514 8.319 7.041 1.00 1.46 S ATOM 677 CE MET A 46 1.026 9.247 7.012 1.00 1.78 C ATOM 0 H MET A 46 -2.330 7.173 3.278 1.00 0.42 H new ATOM 0 HA MET A 46 0.470 6.773 3.048 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.719 8.617 4.493 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.589 8.971 3.382 1.00 0.57 H new ATOM 0 HG2 MET A 46 -1.380 9.827 5.385 1.00 0.58 H new ATOM 0 HG3 MET A 46 -2.173 8.266 5.306 1.00 0.58 H new ATOM 0 HE1 MET A 46 1.188 9.714 7.984 1.00 1.78 H new ATOM 0 HE2 MET A 46 1.853 8.572 6.791 1.00 1.78 H new ATOM 0 HE3 MET A 46 0.972 10.018 6.244 1.00 1.78 H new ATOM 687 N GLU A 47 -1.062 5.468 5.644 1.00 0.44 N ATOM 688 CA GLU A 47 -0.905 4.516 6.736 1.00 0.49 C ATOM 689 C GLU A 47 -0.419 3.166 6.249 1.00 0.47 C ATOM 690 O GLU A 47 0.342 2.493 6.946 1.00 0.51 O ATOM 691 CB GLU A 47 -2.173 4.344 7.554 1.00 0.54 C ATOM 692 CG GLU A 47 -2.585 5.561 8.338 1.00 0.78 C ATOM 693 CD GLU A 47 -3.407 5.196 9.536 1.00 1.06 C ATOM 694 OE1 GLU A 47 -4.618 4.934 9.421 1.00 1.88 O ATOM 695 OE2 GLU A 47 -2.828 5.129 10.650 1.00 1.03 O ATOM 0 H GLU A 47 -2.023 5.775 5.491 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.144 4.945 7.387 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -2.987 4.068 6.884 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.033 3.513 8.246 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -1.697 6.105 8.658 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.156 6.232 7.696 1.00 0.78 H new ATOM 702 N THR A 48 -0.838 2.793 5.048 1.00 0.45 N ATOM 703 CA THR A 48 -0.443 1.537 4.442 1.00 0.48 C ATOM 704 C THR A 48 1.081 1.496 4.332 1.00 0.44 C ATOM 705 O THR A 48 1.742 0.638 4.935 1.00 0.46 O ATOM 706 CB THR A 48 -1.068 1.436 3.028 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.491 1.453 3.122 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.629 0.168 2.315 1.00 0.65 C ATOM 0 H THR A 48 -1.462 3.355 4.469 1.00 0.45 H new ATOM 0 HA THR A 48 -0.789 0.703 5.052 1.00 0.48 H new ATOM 0 HB THR A 48 -0.722 2.294 2.451 1.00 0.54 H new ATOM 0 HG1 THR A 48 -2.788 2.334 3.433 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.086 0.130 1.326 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.456 0.165 2.213 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.942 -0.701 2.893 1.00 0.65 H new ATOM 716 N ALA A 49 1.628 2.440 3.591 1.00 0.45 N ATOM 717 CA ALA A 49 3.054 2.542 3.423 1.00 0.48 C ATOM 718 C ALA A 49 3.763 2.806 4.754 1.00 0.44 C ATOM 719 O ALA A 49 4.843 2.301 4.980 1.00 0.45 O ATOM 720 CB ALA A 49 3.394 3.586 2.401 1.00 0.57 C ATOM 0 H ALA A 49 1.094 3.152 3.093 1.00 0.45 H new ATOM 0 HA ALA A 49 3.416 1.582 3.056 1.00 0.48 H new ATOM 0 HB1 ALA A 49 4.477 3.647 2.289 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.945 3.319 1.444 1.00 0.57 H new ATOM 0 HB3 ALA A 49 3.008 4.552 2.726 1.00 0.57 H new ATOM 726 N ALA A 50 3.124 3.577 5.630 1.00 0.44 N ATOM 727 CA ALA A 50 3.680 3.916 6.943 1.00 0.46 C ATOM 728 C ALA A 50 3.958 2.671 7.782 1.00 0.44 C ATOM 729 O ALA A 50 5.016 2.561 8.407 1.00 0.44 O ATOM 730 CB ALA A 50 2.753 4.853 7.690 1.00 0.56 C ATOM 0 H ALA A 50 2.206 3.986 5.453 1.00 0.44 H new ATOM 0 HA ALA A 50 4.631 4.419 6.771 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.184 5.092 8.662 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.622 5.770 7.115 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.785 4.372 7.831 1.00 0.56 H new ATOM 736 N ARG A 51 3.015 1.724 7.785 1.00 0.46 N ATOM 737 CA ARG A 51 3.183 0.495 8.500 1.00 0.48 C ATOM 738 C ARG A 51 4.333 -0.292 7.911 1.00 0.46 C ATOM 739 O ARG A 51 5.113 -0.905 8.626 1.00 0.49 O ATOM 740 CB ARG A 51 1.904 -0.315 8.443 1.00 0.54 C ATOM 741 CG ARG A 51 0.752 0.302 9.198 1.00 0.78 C ATOM 742 CD ARG A 51 -0.477 -0.589 9.195 1.00 0.80 C ATOM 743 NE ARG A 51 -1.573 0.039 9.931 1.00 1.68 N ATOM 744 CZ ARG A 51 -2.499 -0.588 10.656 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.467 -1.910 10.828 1.00 1.80 N ATOM 746 NH2 ARG A 51 -3.450 0.122 11.246 1.00 3.14 N ATOM 0 H ARG A 51 2.127 1.804 7.290 1.00 0.46 H new ATOM 0 HA ARG A 51 3.410 0.716 9.543 1.00 0.48 H new ATOM 0 HB2 ARG A 51 1.614 -0.444 7.400 1.00 0.54 H new ATOM 0 HB3 ARG A 51 2.098 -1.309 8.845 1.00 0.54 H new ATOM 0 HG2 ARG A 51 1.056 0.496 10.227 1.00 0.78 H new ATOM 0 HG3 ARG A 51 0.502 1.265 8.753 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.787 -0.785 8.169 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.235 -1.552 9.645 1.00 0.80 H new ATOM 0 HE ARG A 51 -1.635 1.056 9.885 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.723 -2.462 10.401 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.186 -2.369 11.387 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -3.468 1.137 11.142 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -4.164 -0.346 11.804 1.00 3.14 H new ATOM 760 N LEU A 52 4.463 -0.215 6.609 1.00 0.44 N ATOM 761 CA LEU A 52 5.517 -0.896 5.898 1.00 0.46 C ATOM 762 C LEU A 52 6.874 -0.262 6.215 1.00 0.38 C ATOM 763 O LEU A 52 7.882 -0.969 6.333 1.00 0.40 O ATOM 764 CB LEU A 52 5.220 -0.891 4.400 1.00 0.55 C ATOM 765 CG LEU A 52 3.889 -1.545 4.008 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.624 -1.402 2.524 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.871 -3.010 4.420 1.00 0.80 C ATOM 0 H LEU A 52 3.838 0.324 6.010 1.00 0.44 H new ATOM 0 HA LEU A 52 5.562 -1.935 6.226 1.00 0.46 H new ATOM 0 HB2 LEU A 52 5.220 0.140 4.047 1.00 0.55 H new ATOM 0 HB3 LEU A 52 6.029 -1.406 3.881 1.00 0.55 H new ATOM 0 HG LEU A 52 3.091 -1.027 4.540 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.674 -1.875 2.277 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.582 -0.345 2.262 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.426 -1.883 1.963 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.919 -3.457 4.134 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.684 -3.538 3.922 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.997 -3.086 5.500 1.00 0.80 H new ATOM 779 N GLU A 53 6.889 1.062 6.385 1.00 0.35 N ATOM 780 CA GLU A 53 8.098 1.778 6.774 1.00 0.33 C ATOM 781 C GLU A 53 8.562 1.314 8.135 1.00 0.34 C ATOM 782 O GLU A 53 9.719 0.977 8.310 1.00 0.41 O ATOM 783 CB GLU A 53 7.901 3.298 6.813 1.00 0.34 C ATOM 784 CG GLU A 53 7.568 3.950 5.490 1.00 0.35 C ATOM 785 CD GLU A 53 7.517 5.456 5.614 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.584 5.991 6.283 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.429 6.138 5.090 1.00 0.49 O ATOM 0 H GLU A 53 6.072 1.659 6.258 1.00 0.35 H new ATOM 0 HA GLU A 53 8.847 1.555 6.014 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.103 3.524 7.520 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.811 3.754 7.203 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.314 3.670 4.747 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.607 3.580 5.132 1.00 0.35 H new ATOM 794 N SER A 54 7.649 1.288 9.085 1.00 0.36 N ATOM 795 CA SER A 54 7.943 0.857 10.440 1.00 0.43 C ATOM 796 C SER A 54 8.356 -0.636 10.482 1.00 0.42 C ATOM 797 O SER A 54 9.334 -1.014 11.142 1.00 0.48 O ATOM 798 CB SER A 54 6.712 1.104 11.312 1.00 0.55 C ATOM 799 OG SER A 54 6.254 2.451 11.172 1.00 1.22 O ATOM 0 H SER A 54 6.678 1.566 8.940 1.00 0.36 H new ATOM 0 HA SER A 54 8.787 1.432 10.822 1.00 0.43 H new ATOM 0 HB2 SER A 54 5.917 0.413 11.031 1.00 0.55 H new ATOM 0 HB3 SER A 54 6.954 0.904 12.356 1.00 0.55 H new ATOM 0 HG SER A 54 5.728 2.534 10.350 1.00 1.22 H new ATOM 805 N ARG A 55 7.621 -1.460 9.752 1.00 0.44 N ATOM 806 CA ARG A 55 7.854 -2.898 9.702 1.00 0.51 C ATOM 807 C ARG A 55 9.196 -3.258 9.051 1.00 0.56 C ATOM 808 O ARG A 55 9.997 -3.978 9.638 1.00 0.64 O ATOM 809 CB ARG A 55 6.703 -3.593 8.962 1.00 0.60 C ATOM 810 CG ARG A 55 6.903 -5.077 8.737 1.00 0.77 C ATOM 811 CD ARG A 55 5.759 -5.673 7.950 1.00 0.95 C ATOM 812 NE ARG A 55 6.062 -7.037 7.521 1.00 1.51 N ATOM 813 CZ ARG A 55 5.330 -7.764 6.672 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.151 -7.321 6.224 1.00 1.87 N ATOM 815 NH2 ARG A 55 5.752 -8.956 6.302 1.00 2.88 N ATOM 0 H ARG A 55 6.841 -1.150 9.173 1.00 0.44 H new ATOM 0 HA ARG A 55 7.896 -3.251 10.732 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.783 -3.445 9.528 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.564 -3.108 7.996 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.839 -5.243 8.204 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.989 -5.584 9.698 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.856 -5.674 8.561 1.00 0.95 H new ATOM 0 HD3 ARG A 55 5.553 -5.053 7.078 1.00 0.95 H new ATOM 0 HE ARG A 55 6.903 -7.470 7.902 1.00 1.51 H new ATOM 0 HH11 ARG A 55 3.797 -6.415 6.530 1.00 1.87 H new ATOM 0 HH12 ARG A 55 3.605 -7.889 5.576 1.00 1.87 H new ATOM 0 HH21 ARG A 55 6.634 -9.320 6.663 1.00 2.88 H new ATOM 0 HH22 ARG A 55 5.197 -9.515 5.654 1.00 2.88 H new ATOM 829 N TYR A 56 9.441 -2.759 7.857 1.00 0.56 N ATOM 830 CA TYR A 56 10.645 -3.127 7.124 1.00 0.67 C ATOM 831 C TYR A 56 11.822 -2.225 7.449 1.00 0.70 C ATOM 832 O TYR A 56 12.970 -2.611 7.256 1.00 0.86 O ATOM 833 CB TYR A 56 10.392 -3.134 5.620 1.00 0.75 C ATOM 834 CG TYR A 56 9.393 -4.173 5.151 1.00 0.85 C ATOM 835 CD1 TYR A 56 9.790 -5.479 4.888 1.00 1.09 C ATOM 836 CD2 TYR A 56 8.063 -3.845 4.959 1.00 0.82 C ATOM 837 CE1 TYR A 56 8.884 -6.426 4.450 1.00 1.24 C ATOM 838 CE2 TYR A 56 7.156 -4.781 4.523 1.00 0.96 C ATOM 839 CZ TYR A 56 7.569 -6.068 4.269 1.00 1.17 C ATOM 840 OH TYR A 56 6.661 -6.996 3.827 1.00 1.33 O ATOM 0 H TYR A 56 8.830 -2.102 7.372 1.00 0.56 H new ATOM 0 HA TYR A 56 10.905 -4.135 7.446 1.00 0.67 H new ATOM 0 HB2 TYR A 56 10.038 -2.148 5.320 1.00 0.75 H new ATOM 0 HB3 TYR A 56 11.339 -3.302 5.107 1.00 0.75 H new ATOM 0 HD1 TYR A 56 10.824 -5.758 5.028 1.00 1.09 H new ATOM 0 HD2 TYR A 56 7.732 -2.836 5.155 1.00 0.82 H new ATOM 0 HE1 TYR A 56 9.206 -7.438 4.252 1.00 1.24 H new ATOM 0 HE2 TYR A 56 6.121 -4.506 4.380 1.00 0.96 H new ATOM 0 HH TYR A 56 6.931 -7.888 4.131 1.00 1.33 H new ATOM 850 N GLY A 57 11.547 -1.050 7.964 1.00 0.61 N ATOM 851 CA GLY A 57 12.606 -0.130 8.299 1.00 0.68 C ATOM 852 C GLY A 57 13.061 0.640 7.084 1.00 0.72 C ATOM 853 O GLY A 57 14.202 0.492 6.628 1.00 0.91 O ATOM 0 H GLY A 57 10.605 -0.711 8.159 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.260 0.564 9.065 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.448 -0.678 8.722 1.00 0.68 H new ATOM 857 N VAL A 58 12.169 1.432 6.533 1.00 0.62 N ATOM 858 CA VAL A 58 12.461 2.230 5.355 1.00 0.65 C ATOM 859 C VAL A 58 11.984 3.663 5.532 1.00 0.57 C ATOM 860 O VAL A 58 11.302 3.978 6.515 1.00 0.50 O ATOM 861 CB VAL A 58 11.898 1.635 4.014 1.00 0.67 C ATOM 862 CG1 VAL A 58 12.540 0.296 3.686 1.00 0.81 C ATOM 863 CG2 VAL A 58 10.382 1.493 4.058 1.00 0.57 C ATOM 0 H VAL A 58 11.219 1.544 6.886 1.00 0.62 H new ATOM 0 HA VAL A 58 13.547 2.212 5.263 1.00 0.65 H new ATOM 0 HB VAL A 58 12.153 2.341 3.223 1.00 0.67 H new ATOM 0 HG11 VAL A 58 12.127 -0.086 2.752 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.617 0.425 3.581 1.00 0.81 H new ATOM 0 HG13 VAL A 58 12.336 -0.412 4.490 1.00 0.81 H new ATOM 0 HG21 VAL A 58 10.028 1.079 3.114 1.00 0.57 H new ATOM 0 HG22 VAL A 58 10.102 0.827 4.874 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.929 2.472 4.217 1.00 0.57 H new ATOM 873 N SER A 59 12.326 4.511 4.589 1.00 0.63 N ATOM 874 CA SER A 59 11.940 5.909 4.609 1.00 0.63 C ATOM 875 C SER A 59 11.507 6.320 3.192 1.00 0.62 C ATOM 876 O SER A 59 12.331 6.354 2.264 1.00 0.73 O ATOM 877 CB SER A 59 13.144 6.766 5.053 1.00 0.83 C ATOM 878 OG SER A 59 13.736 6.265 6.265 1.00 1.41 O ATOM 0 H SER A 59 12.886 4.250 3.777 1.00 0.63 H new ATOM 0 HA SER A 59 11.116 6.061 5.307 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.893 6.780 4.261 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.821 7.796 5.204 1.00 0.83 H new ATOM 0 HG SER A 59 14.496 6.831 6.516 1.00 1.41 H new ATOM 884 N ILE A 60 10.228 6.558 3.010 1.00 0.52 N ATOM 885 CA ILE A 60 9.693 6.942 1.714 1.00 0.53 C ATOM 886 C ILE A 60 9.638 8.474 1.573 1.00 0.59 C ATOM 887 O ILE A 60 9.139 9.161 2.464 1.00 0.67 O ATOM 888 CB ILE A 60 8.276 6.339 1.502 1.00 0.51 C ATOM 889 CG1 ILE A 60 8.347 4.805 1.587 1.00 0.50 C ATOM 890 CG2 ILE A 60 7.691 6.781 0.159 1.00 0.57 C ATOM 891 CD1 ILE A 60 7.007 4.114 1.487 1.00 0.55 C ATOM 0 H ILE A 60 9.528 6.493 3.749 1.00 0.52 H new ATOM 0 HA ILE A 60 10.361 6.546 0.949 1.00 0.53 H new ATOM 0 HB ILE A 60 7.617 6.706 2.288 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.992 4.438 0.789 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.817 4.526 2.530 1.00 0.50 H new ATOM 0 HG21 ILE A 60 6.699 6.346 0.033 1.00 0.57 H new ATOM 0 HG22 ILE A 60 7.616 7.868 0.135 1.00 0.57 H new ATOM 0 HG23 ILE A 60 8.340 6.444 -0.649 1.00 0.57 H new ATOM 0 HD11 ILE A 60 7.148 3.035 1.556 1.00 0.55 H new ATOM 0 HD12 ILE A 60 6.363 4.449 2.301 1.00 0.55 H new ATOM 0 HD13 ILE A 60 6.542 4.359 0.532 1.00 0.55 H new ATOM 903 N PRO A 61 10.200 9.029 0.475 1.00 0.62 N ATOM 904 CA PRO A 61 10.156 10.474 0.200 1.00 0.71 C ATOM 905 C PRO A 61 8.717 10.972 -0.068 1.00 0.65 C ATOM 906 O PRO A 61 7.926 10.311 -0.771 1.00 0.57 O ATOM 907 CB PRO A 61 11.032 10.632 -1.055 1.00 0.78 C ATOM 908 CG PRO A 61 11.828 9.373 -1.127 1.00 0.77 C ATOM 909 CD PRO A 61 10.944 8.307 -0.564 1.00 0.64 C ATOM 0 HA PRO A 61 10.506 11.063 1.048 1.00 0.71 H new ATOM 0 HB2 PRO A 61 10.422 10.766 -1.948 1.00 0.78 H new ATOM 0 HB3 PRO A 61 11.680 11.505 -0.978 1.00 0.78 H new ATOM 0 HG2 PRO A 61 12.110 9.146 -2.155 1.00 0.77 H new ATOM 0 HG3 PRO A 61 12.751 9.460 -0.554 1.00 0.77 H new ATOM 0 HD2 PRO A 61 10.281 7.888 -1.321 1.00 0.64 H new ATOM 0 HD3 PRO A 61 11.519 7.479 -0.150 1.00 0.64 H new ATOM 917 N ASP A 62 8.425 12.145 0.455 1.00 0.75 N ATOM 918 CA ASP A 62 7.089 12.768 0.432 1.00 0.78 C ATOM 919 C ASP A 62 6.476 12.906 -0.955 1.00 0.68 C ATOM 920 O ASP A 62 5.321 12.536 -1.161 1.00 0.67 O ATOM 921 CB ASP A 62 7.133 14.145 1.113 1.00 0.99 C ATOM 922 CG ASP A 62 5.831 14.921 0.987 1.00 1.34 C ATOM 923 OD1 ASP A 62 4.816 14.512 1.593 1.00 1.88 O ATOM 924 OD2 ASP A 62 5.785 15.915 0.262 1.00 2.03 O ATOM 0 H ASP A 62 9.123 12.721 0.926 1.00 0.75 H new ATOM 0 HA ASP A 62 6.443 12.083 0.981 1.00 0.78 H new ATOM 0 HB2 ASP A 62 7.368 14.013 2.169 1.00 0.99 H new ATOM 0 HB3 ASP A 62 7.941 14.732 0.677 1.00 0.99 H new ATOM 929 N ASP A 63 7.242 13.372 -1.918 1.00 0.67 N ATOM 930 CA ASP A 63 6.671 13.656 -3.254 1.00 0.67 C ATOM 931 C ASP A 63 6.376 12.381 -4.030 1.00 0.58 C ATOM 932 O ASP A 63 5.606 12.391 -4.983 1.00 0.60 O ATOM 933 CB ASP A 63 7.576 14.576 -4.099 1.00 0.85 C ATOM 934 CG ASP A 63 8.839 13.910 -4.606 1.00 1.44 C ATOM 935 OD1 ASP A 63 9.848 13.899 -3.884 1.00 2.23 O ATOM 936 OD2 ASP A 63 8.856 13.413 -5.752 1.00 1.95 O ATOM 0 H ASP A 63 8.239 13.564 -1.824 1.00 0.67 H new ATOM 0 HA ASP A 63 5.733 14.178 -3.067 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.006 14.944 -4.952 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.852 15.445 -3.501 1.00 0.85 H new ATOM 941 N VAL A 64 6.938 11.282 -3.587 1.00 0.60 N ATOM 942 CA VAL A 64 6.769 10.016 -4.272 1.00 0.64 C ATOM 943 C VAL A 64 5.406 9.384 -3.912 1.00 0.60 C ATOM 944 O VAL A 64 4.908 8.486 -4.592 1.00 0.58 O ATOM 945 CB VAL A 64 7.925 9.047 -3.931 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.852 7.769 -4.746 1.00 0.97 C ATOM 947 CG2 VAL A 64 9.269 9.720 -4.135 1.00 0.98 C ATOM 0 H VAL A 64 7.520 11.236 -2.751 1.00 0.60 H new ATOM 0 HA VAL A 64 6.790 10.204 -5.345 1.00 0.64 H new ATOM 0 HB VAL A 64 7.818 8.778 -2.880 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.682 7.117 -4.475 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.910 7.261 -4.542 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.912 8.010 -5.807 1.00 0.97 H new ATOM 0 HG21 VAL A 64 10.067 9.020 -3.889 1.00 0.98 H new ATOM 0 HG22 VAL A 64 9.366 10.031 -5.175 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.340 10.594 -3.487 1.00 0.98 H new ATOM 957 N ALA A 65 4.797 9.906 -2.872 1.00 0.72 N ATOM 958 CA ALA A 65 3.496 9.428 -2.395 1.00 0.85 C ATOM 959 C ALA A 65 2.416 9.567 -3.466 1.00 0.80 C ATOM 960 O ALA A 65 1.678 8.631 -3.742 1.00 0.90 O ATOM 961 CB ALA A 65 3.080 10.178 -1.133 1.00 1.09 C ATOM 0 H ALA A 65 5.181 10.676 -2.324 1.00 0.72 H new ATOM 0 HA ALA A 65 3.603 8.369 -2.162 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.112 9.810 -0.793 1.00 1.09 H new ATOM 0 HB2 ALA A 65 3.824 10.017 -0.352 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.007 11.244 -1.350 1.00 1.09 H new ATOM 967 N GLY A 66 2.382 10.711 -4.110 1.00 0.73 N ATOM 968 CA GLY A 66 1.349 11.003 -5.081 1.00 0.81 C ATOM 969 C GLY A 66 1.468 10.254 -6.401 1.00 0.73 C ATOM 970 O GLY A 66 0.608 10.414 -7.274 1.00 0.92 O ATOM 0 H GLY A 66 3.062 11.460 -3.979 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.380 10.773 -4.637 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.359 12.073 -5.287 1.00 0.81 H new ATOM 974 N ARG A 67 2.471 9.398 -6.550 1.00 0.56 N ATOM 975 CA ARG A 67 2.656 8.713 -7.820 1.00 0.61 C ATOM 976 C ARG A 67 1.903 7.392 -7.821 1.00 0.58 C ATOM 977 O ARG A 67 1.540 6.889 -8.871 1.00 0.79 O ATOM 978 CB ARG A 67 4.144 8.408 -8.116 1.00 0.63 C ATOM 979 CG ARG A 67 4.692 7.215 -7.342 1.00 0.57 C ATOM 980 CD ARG A 67 6.056 6.778 -7.804 1.00 0.87 C ATOM 981 NE ARG A 67 6.405 5.480 -7.207 1.00 1.64 N ATOM 982 CZ ARG A 67 7.188 4.553 -7.781 1.00 2.30 C ATOM 983 NH1 ARG A 67 7.862 4.835 -8.893 1.00 2.40 N ATOM 984 NH2 ARG A 67 7.298 3.348 -7.227 1.00 3.30 N ATOM 0 H ARG A 67 3.152 9.166 -5.827 1.00 0.56 H new ATOM 0 HA ARG A 67 2.273 9.384 -8.589 1.00 0.61 H new ATOM 0 HB2 ARG A 67 4.262 8.222 -9.184 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.740 9.289 -7.878 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.739 7.469 -6.283 1.00 0.57 H new ATOM 0 HG3 ARG A 67 3.999 6.379 -7.439 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.072 6.702 -8.891 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.799 7.526 -7.526 1.00 0.87 H new ATOM 0 HE ARG A 67 6.023 5.268 -6.286 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.786 5.761 -9.315 1.00 2.40 H new ATOM 0 HH12 ARG A 67 8.455 4.126 -9.324 1.00 2.40 H new ATOM 0 HH21 ARG A 67 6.789 3.132 -6.370 1.00 3.30 H new ATOM 0 HH22 ARG A 67 7.892 2.640 -7.659 1.00 3.30 H new ATOM 998 N VAL A 68 1.647 6.856 -6.641 1.00 0.45 N ATOM 999 CA VAL A 68 1.083 5.530 -6.534 1.00 0.45 C ATOM 1000 C VAL A 68 -0.439 5.554 -6.656 1.00 0.46 C ATOM 1001 O VAL A 68 -1.168 5.863 -5.715 1.00 0.53 O ATOM 1002 CB VAL A 68 1.584 4.779 -5.245 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.087 4.587 -5.303 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.229 5.504 -3.963 1.00 0.85 C ATOM 0 H VAL A 68 1.821 7.319 -5.749 1.00 0.45 H new ATOM 0 HA VAL A 68 1.450 4.949 -7.381 1.00 0.45 H new ATOM 0 HB VAL A 68 1.074 3.816 -5.232 1.00 0.53 H new ATOM 0 HG11 VAL A 68 3.422 4.066 -4.406 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.345 3.997 -6.183 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.576 5.559 -5.362 1.00 1.45 H new ATOM 0 HG21 VAL A 68 1.601 4.937 -3.109 1.00 0.85 H new ATOM 0 HG22 VAL A 68 1.684 6.494 -3.967 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.146 5.603 -3.889 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.897 5.331 -7.856 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.322 5.305 -8.150 1.00 0.53 C ATOM 1016 C ASP A 69 -2.818 3.869 -8.078 1.00 0.42 C ATOM 1017 O ASP A 69 -3.991 3.592 -7.773 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.582 5.923 -9.526 1.00 0.71 C ATOM 1019 CG ASP A 69 -4.031 5.879 -9.953 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -4.863 6.550 -9.322 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -4.373 5.148 -10.900 1.00 2.04 O ATOM 0 H ASP A 69 -0.301 5.161 -8.666 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.869 5.896 -7.415 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.248 6.960 -9.517 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -1.979 5.400 -10.268 1.00 0.71 H new ATOM 1026 N THR A 70 -1.910 2.956 -8.328 1.00 0.35 N ATOM 1027 CA THR A 70 -2.185 1.548 -8.207 1.00 0.29 C ATOM 1028 C THR A 70 -1.269 0.930 -7.125 1.00 0.26 C ATOM 1029 O THR A 70 -0.144 1.422 -6.904 1.00 0.29 O ATOM 1030 CB THR A 70 -1.985 0.816 -9.566 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.684 1.111 -10.112 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.062 1.207 -10.568 1.00 0.39 C ATOM 0 H THR A 70 -0.957 3.171 -8.622 1.00 0.35 H new ATOM 0 HA THR A 70 -3.227 1.424 -7.913 1.00 0.29 H new ATOM 0 HB THR A 70 -2.061 -0.255 -9.378 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.529 2.078 -10.083 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.894 0.679 -11.507 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.042 0.940 -10.172 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.022 2.282 -10.744 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.724 -0.147 -6.421 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.922 -0.832 -5.392 1.00 0.31 C ATOM 1042 C PRO A 71 0.347 -1.410 -5.990 1.00 0.32 C ATOM 1043 O PRO A 71 1.332 -1.622 -5.298 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.839 -1.955 -4.898 1.00 0.34 C ATOM 1045 CG PRO A 71 -3.205 -1.508 -5.266 1.00 0.34 C ATOM 1046 CD PRO A 71 -3.049 -0.755 -6.548 1.00 0.30 C ATOM 0 HA PRO A 71 -0.605 -0.160 -4.595 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.592 -2.906 -5.370 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.745 -2.100 -3.822 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.876 -2.358 -5.390 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.633 -0.875 -4.489 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.107 -1.416 -7.413 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.827 -0.002 -6.670 1.00 0.30 H new ATOM 1054 N ARG A 72 0.285 -1.665 -7.285 1.00 0.32 N ATOM 1055 CA ARG A 72 1.406 -2.109 -8.098 1.00 0.38 C ATOM 1056 C ARG A 72 2.612 -1.179 -7.879 1.00 0.35 C ATOM 1057 O ARG A 72 3.712 -1.619 -7.545 1.00 0.36 O ATOM 1058 CB ARG A 72 0.968 -2.043 -9.558 1.00 0.45 C ATOM 1059 CG ARG A 72 1.958 -2.584 -10.564 1.00 0.88 C ATOM 1060 CD ARG A 72 1.502 -2.252 -11.975 1.00 0.81 C ATOM 1061 NE ARG A 72 0.156 -2.774 -12.288 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.853 -2.053 -12.840 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.756 -0.721 -12.969 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.972 -2.654 -13.202 1.00 1.55 N ATOM 0 H ARG A 72 -0.578 -1.565 -7.820 1.00 0.32 H new ATOM 0 HA ARG A 72 1.698 -3.123 -7.826 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.033 -2.594 -9.663 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.755 -1.004 -9.808 1.00 0.45 H new ATOM 0 HG2 ARG A 72 2.944 -2.156 -10.382 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.053 -3.664 -10.449 1.00 0.88 H new ATOM 0 HD2 ARG A 72 1.505 -1.170 -12.106 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.218 -2.661 -12.687 1.00 0.81 H new ATOM 0 HE ARG A 72 -0.030 -3.753 -12.072 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.084 -0.238 -12.650 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.522 -0.192 -13.386 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -2.078 -3.659 -13.067 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.730 -2.113 -13.617 1.00 1.55 H new ATOM 1078 N GLU A 73 2.362 0.108 -8.038 1.00 0.34 N ATOM 1079 CA GLU A 73 3.372 1.147 -7.890 1.00 0.36 C ATOM 1080 C GLU A 73 3.815 1.276 -6.437 1.00 0.32 C ATOM 1081 O GLU A 73 4.972 1.607 -6.148 1.00 0.35 O ATOM 1082 CB GLU A 73 2.804 2.463 -8.378 1.00 0.42 C ATOM 1083 CG GLU A 73 2.289 2.389 -9.793 1.00 0.60 C ATOM 1084 CD GLU A 73 1.605 3.644 -10.214 1.00 1.37 C ATOM 1085 OE1 GLU A 73 0.405 3.819 -9.879 1.00 2.18 O ATOM 1086 OE2 GLU A 73 2.239 4.463 -10.902 1.00 1.78 O ATOM 0 H GLU A 73 1.438 0.469 -8.277 1.00 0.34 H new ATOM 0 HA GLU A 73 4.245 0.877 -8.484 1.00 0.36 H new ATOM 0 HB2 GLU A 73 1.994 2.771 -7.717 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.575 3.231 -8.317 1.00 0.42 H new ATOM 0 HG2 GLU A 73 3.120 2.187 -10.469 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.595 1.553 -9.881 1.00 0.60 H new ATOM 1093 N LEU A 74 2.883 1.030 -5.526 1.00 0.31 N ATOM 1094 CA LEU A 74 3.158 1.093 -4.093 1.00 0.32 C ATOM 1095 C LEU A 74 4.120 -0.048 -3.737 1.00 0.30 C ATOM 1096 O LEU A 74 5.115 0.162 -3.048 1.00 0.31 O ATOM 1097 CB LEU A 74 1.814 1.018 -3.299 1.00 0.36 C ATOM 1098 CG LEU A 74 1.811 1.375 -1.781 1.00 0.39 C ATOM 1099 CD1 LEU A 74 2.534 0.347 -0.926 1.00 0.44 C ATOM 1100 CD2 LEU A 74 2.395 2.762 -1.552 1.00 0.44 C ATOM 0 H LEU A 74 1.920 0.783 -5.755 1.00 0.31 H new ATOM 0 HA LEU A 74 3.634 2.035 -3.821 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.102 1.679 -3.794 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.429 0.003 -3.399 1.00 0.36 H new ATOM 0 HG LEU A 74 0.768 1.368 -1.465 1.00 0.39 H new ATOM 0 HD11 LEU A 74 2.497 0.653 0.120 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.051 -0.624 -1.038 1.00 0.44 H new ATOM 0 HD13 LEU A 74 3.573 0.274 -1.246 1.00 0.44 H new ATOM 0 HD21 LEU A 74 2.383 2.990 -0.486 1.00 0.44 H new ATOM 0 HD22 LEU A 74 3.422 2.789 -1.918 1.00 0.44 H new ATOM 0 HD23 LEU A 74 1.799 3.501 -2.088 1.00 0.44 H new ATOM 1112 N LEU A 75 3.820 -1.231 -4.258 1.00 0.29 N ATOM 1113 CA LEU A 75 4.652 -2.423 -4.111 1.00 0.30 C ATOM 1114 C LEU A 75 6.063 -2.127 -4.605 1.00 0.29 C ATOM 1115 O LEU A 75 7.055 -2.404 -3.915 1.00 0.30 O ATOM 1116 CB LEU A 75 4.038 -3.566 -4.936 1.00 0.33 C ATOM 1117 CG LEU A 75 4.794 -4.893 -4.965 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.873 -5.495 -3.584 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.132 -5.855 -5.930 1.00 0.45 C ATOM 0 H LEU A 75 2.975 -1.394 -4.806 1.00 0.29 H new ATOM 0 HA LEU A 75 4.699 -2.714 -3.062 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.035 -3.757 -4.554 1.00 0.33 H new ATOM 0 HB3 LEU A 75 3.927 -3.219 -5.963 1.00 0.33 H new ATOM 0 HG LEU A 75 5.811 -4.702 -5.309 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.416 -6.439 -3.629 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.394 -4.808 -2.917 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.866 -5.673 -3.206 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.682 -6.796 -5.940 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.105 -6.038 -5.614 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.132 -5.424 -6.931 1.00 0.45 H new ATOM 1131 N ASP A 76 6.129 -1.537 -5.794 1.00 0.31 N ATOM 1132 CA ASP A 76 7.387 -1.121 -6.417 1.00 0.34 C ATOM 1133 C ASP A 76 8.166 -0.170 -5.515 1.00 0.32 C ATOM 1134 O ASP A 76 9.371 -0.310 -5.351 1.00 0.34 O ATOM 1135 CB ASP A 76 7.116 -0.436 -7.759 1.00 0.45 C ATOM 1136 CG ASP A 76 8.375 0.097 -8.410 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.032 -0.643 -9.168 1.00 0.90 O ATOM 1138 OD2 ASP A 76 8.739 1.269 -8.169 1.00 1.25 O ATOM 0 H ASP A 76 5.306 -1.331 -6.360 1.00 0.31 H new ATOM 0 HA ASP A 76 7.986 -2.018 -6.577 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.636 -1.145 -8.433 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.415 0.385 -7.608 1.00 0.45 H new ATOM 1143 N LEU A 77 7.453 0.773 -4.924 1.00 0.32 N ATOM 1144 CA LEU A 77 8.042 1.782 -4.059 1.00 0.36 C ATOM 1145 C LEU A 77 8.674 1.148 -2.819 1.00 0.34 C ATOM 1146 O LEU A 77 9.786 1.523 -2.405 1.00 0.40 O ATOM 1147 CB LEU A 77 6.965 2.804 -3.669 1.00 0.41 C ATOM 1148 CG LEU A 77 7.358 3.899 -2.712 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.531 4.701 -3.252 1.00 0.94 C ATOM 1150 CD2 LEU A 77 6.164 4.796 -2.430 1.00 1.35 C ATOM 0 H LEU A 77 6.442 0.861 -5.031 1.00 0.32 H new ATOM 0 HA LEU A 77 8.840 2.291 -4.599 1.00 0.36 H new ATOM 0 HB2 LEU A 77 6.599 3.272 -4.583 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.128 2.260 -3.232 1.00 0.41 H new ATOM 0 HG LEU A 77 7.678 3.444 -1.775 1.00 0.53 H new ATOM 0 HD11 LEU A 77 8.794 5.485 -2.541 1.00 0.94 H new ATOM 0 HD12 LEU A 77 9.386 4.041 -3.398 1.00 0.94 H new ATOM 0 HD13 LEU A 77 8.255 5.153 -4.205 1.00 0.94 H new ATOM 0 HD21 LEU A 77 6.457 5.585 -1.737 1.00 1.35 H new ATOM 0 HD22 LEU A 77 5.816 5.242 -3.362 1.00 1.35 H new ATOM 0 HD23 LEU A 77 5.361 4.205 -1.989 1.00 1.35 H new ATOM 1162 N ILE A 78 7.977 0.192 -2.245 1.00 0.30 N ATOM 1163 CA ILE A 78 8.465 -0.503 -1.074 1.00 0.32 C ATOM 1164 C ILE A 78 9.675 -1.354 -1.442 1.00 0.33 C ATOM 1165 O ILE A 78 10.735 -1.218 -0.843 1.00 0.39 O ATOM 1166 CB ILE A 78 7.372 -1.403 -0.443 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.132 -0.570 -0.073 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.918 -2.122 0.792 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.397 0.554 0.916 1.00 0.42 C ATOM 0 H ILE A 78 7.064 -0.123 -2.573 1.00 0.30 H new ATOM 0 HA ILE A 78 8.749 0.249 -0.338 1.00 0.32 H new ATOM 0 HB ILE A 78 7.078 -2.152 -1.179 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.712 -0.143 -0.984 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.376 -1.234 0.346 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.138 -2.749 1.222 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.767 -2.743 0.506 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.240 -1.386 1.529 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.468 1.087 1.118 1.00 0.42 H new ATOM 0 HD12 ILE A 78 6.786 0.137 1.845 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.127 1.245 0.495 1.00 0.42 H new ATOM 1181 N ASN A 79 9.521 -2.213 -2.440 1.00 0.33 N ATOM 1182 CA ASN A 79 10.605 -3.118 -2.851 1.00 0.38 C ATOM 1183 C ASN A 79 11.827 -2.372 -3.351 1.00 0.38 C ATOM 1184 O ASN A 79 12.958 -2.816 -3.143 1.00 0.42 O ATOM 1185 CB ASN A 79 10.139 -4.173 -3.868 1.00 0.46 C ATOM 1186 CG ASN A 79 9.246 -5.228 -3.237 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.372 -5.528 -2.056 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.360 -5.806 -4.009 1.00 0.82 N ATOM 0 H ASN A 79 8.663 -2.308 -2.983 1.00 0.33 H new ATOM 0 HA ASN A 79 10.902 -3.652 -1.949 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.600 -3.681 -4.677 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.010 -4.656 -4.312 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.749 -6.530 -3.631 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.281 -5.532 -4.988 1.00 0.82 H new ATOM 1195 N GLY A 80 11.607 -1.225 -3.981 1.00 0.38 N ATOM 1196 CA GLY A 80 12.705 -0.386 -4.425 1.00 0.46 C ATOM 1197 C GLY A 80 13.512 0.133 -3.248 1.00 0.50 C ATOM 1198 O GLY A 80 14.747 0.263 -3.318 1.00 0.62 O ATOM 0 H GLY A 80 10.680 -0.858 -4.194 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.354 -0.954 -5.091 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.315 0.454 -5.000 1.00 0.46 H new ATOM 1202 N ALA A 81 12.817 0.426 -2.161 1.00 0.47 N ATOM 1203 CA ALA A 81 13.451 0.859 -0.929 1.00 0.57 C ATOM 1204 C ALA A 81 14.118 -0.331 -0.249 1.00 0.62 C ATOM 1205 O ALA A 81 15.235 -0.228 0.259 1.00 0.80 O ATOM 1206 CB ALA A 81 12.433 1.510 -0.002 1.00 0.59 C ATOM 0 H ALA A 81 11.800 0.370 -2.109 1.00 0.47 H new ATOM 0 HA ALA A 81 14.213 1.602 -1.164 1.00 0.57 H new ATOM 0 HB1 ALA A 81 12.928 1.828 0.916 1.00 0.59 H new ATOM 0 HB2 ALA A 81 11.993 2.376 -0.496 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.649 0.792 0.238 1.00 0.59 H new ATOM 1212 N LEU A 82 13.436 -1.472 -0.288 1.00 0.54 N ATOM 1213 CA LEU A 82 13.931 -2.721 0.299 1.00 0.61 C ATOM 1214 C LEU A 82 15.211 -3.193 -0.356 1.00 0.74 C ATOM 1215 O LEU A 82 16.014 -3.872 0.270 1.00 0.89 O ATOM 1216 CB LEU A 82 12.876 -3.828 0.247 1.00 0.54 C ATOM 1217 CG LEU A 82 11.638 -3.606 1.105 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.682 -4.775 0.973 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.037 -3.405 2.552 1.00 0.68 C ATOM 0 H LEU A 82 12.520 -1.560 -0.729 1.00 0.54 H new ATOM 0 HA LEU A 82 14.149 -2.500 1.344 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.559 -3.953 -0.788 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.344 -4.764 0.553 1.00 0.54 H new ATOM 0 HG LEU A 82 11.128 -2.708 0.756 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.803 -4.598 1.593 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.376 -4.879 -0.068 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.178 -5.689 1.299 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.144 -3.247 3.157 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.566 -4.288 2.910 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.688 -2.535 2.632 1.00 0.68 H new ATOM 1231 N ALA A 83 15.404 -2.834 -1.610 1.00 0.83 N ATOM 1232 CA ALA A 83 16.625 -3.170 -2.324 1.00 1.07 C ATOM 1233 C ALA A 83 17.831 -2.510 -1.651 1.00 1.28 C ATOM 1234 O ALA A 83 18.897 -3.111 -1.536 1.00 1.46 O ATOM 1235 CB ALA A 83 16.524 -2.748 -3.783 1.00 1.27 C ATOM 0 H ALA A 83 14.727 -2.306 -2.161 1.00 0.83 H new ATOM 0 HA ALA A 83 16.761 -4.251 -2.292 1.00 1.07 H new ATOM 0 HB1 ALA A 83 17.447 -3.007 -4.302 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.686 -3.263 -4.254 1.00 1.27 H new ATOM 0 HB3 ALA A 83 16.366 -1.671 -3.840 1.00 1.27 H new ATOM 1241 N GLU A 84 17.626 -1.300 -1.150 1.00 1.34 N ATOM 1242 CA GLU A 84 18.680 -0.542 -0.494 1.00 1.64 C ATOM 1243 C GLU A 84 18.807 -0.966 0.964 1.00 1.75 C ATOM 1244 O GLU A 84 19.853 -0.765 1.602 1.00 2.12 O ATOM 1245 CB GLU A 84 18.382 0.954 -0.565 1.00 1.67 C ATOM 1246 CG GLU A 84 18.222 1.488 -1.975 1.00 1.99 C ATOM 1247 CD GLU A 84 19.431 1.228 -2.828 1.00 2.14 C ATOM 1248 OE1 GLU A 84 20.457 1.926 -2.656 1.00 2.25 O ATOM 1249 OE2 GLU A 84 19.377 0.336 -3.694 1.00 2.82 O ATOM 0 H GLU A 84 16.728 -0.818 -1.187 1.00 1.34 H new ATOM 0 HA GLU A 84 19.619 -0.744 -1.010 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.470 1.159 -0.005 1.00 1.67 H new ATOM 0 HB3 GLU A 84 19.188 1.498 -0.071 1.00 1.67 H new ATOM 0 HG2 GLU A 84 17.349 1.028 -2.438 1.00 1.99 H new ATOM 0 HG3 GLU A 84 18.033 2.561 -1.935 1.00 1.99 H new ATOM 1256 N ALA A 85 17.739 -1.543 1.483 1.00 1.60 N ATOM 1257 CA ALA A 85 17.690 -2.000 2.851 1.00 1.87 C ATOM 1258 C ALA A 85 18.581 -3.214 3.042 1.00 2.41 C ATOM 1259 O ALA A 85 18.237 -4.336 2.639 1.00 2.97 O ATOM 1260 CB ALA A 85 16.256 -2.298 3.274 1.00 2.27 C ATOM 0 H ALA A 85 16.878 -1.707 0.961 1.00 1.60 H new ATOM 0 HA ALA A 85 18.066 -1.202 3.491 1.00 1.87 H new ATOM 0 HB1 ALA A 85 16.246 -2.641 4.309 1.00 2.27 H new ATOM 0 HB2 ALA A 85 15.655 -1.393 3.185 1.00 2.27 H new ATOM 0 HB3 ALA A 85 15.841 -3.074 2.631 1.00 2.27 H new ATOM 1266 N ALA A 86 19.726 -2.968 3.597 1.00 2.92 N ATOM 1267 CA ALA A 86 20.719 -3.957 3.877 1.00 3.83 C ATOM 1268 C ALA A 86 21.603 -3.388 4.955 1.00 4.59 C ATOM 1269 O ALA A 86 22.470 -2.536 4.637 1.00 5.16 O ATOM 1270 CB ALA A 86 21.532 -4.291 2.627 1.00 4.34 C ATOM 1271 OXT ALA A 86 21.373 -3.699 6.137 1.00 4.98 O ATOM 0 H ALA A 86 20.007 -2.029 3.880 1.00 2.92 H new ATOM 0 HA ALA A 86 20.255 -4.888 4.203 1.00 3.83 H new ATOM 0 HB1 ALA A 86 22.280 -5.046 2.870 1.00 4.34 H new ATOM 0 HB2 ALA A 86 20.868 -4.674 1.853 1.00 4.34 H new ATOM 0 HB3 ALA A 86 22.029 -3.391 2.265 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -3.645 12.688 2.888 1.00 1.09 P HETATM 1279 O26 SXH A 87 -4.594 13.776 2.327 1.00 1.22 O HETATM 1280 O23 SXH A 87 -3.965 12.113 4.292 1.00 1.42 O HETATM 1281 O27 SXH A 87 -2.213 13.277 2.891 1.00 1.10 O HETATM 1282 C28 SXH A 87 -1.116 12.477 3.460 1.00 1.13 C HETATM 1283 C29 SXH A 87 0.244 13.147 3.205 1.00 1.27 C HETATM 1284 C30 SXH A 87 1.250 12.368 4.015 1.00 1.36 C HETATM 1285 C31 SXH A 87 0.592 13.052 1.712 1.00 1.28 C HETATM 1286 C32 SXH A 87 0.212 14.675 3.666 1.00 1.57 C HETATM 1287 O33 SXH A 87 -0.813 15.356 2.930 1.00 1.62 O HETATM 1288 C34 SXH A 87 1.559 15.392 3.396 1.00 1.82 C HETATM 1289 O35 SXH A 87 1.711 16.082 2.379 1.00 2.00 O HETATM 1290 N36 SXH A 87 2.498 15.248 4.302 1.00 1.99 N HETATM 1291 C37 SXH A 87 3.824 15.868 4.218 1.00 2.29 C HETATM 1292 C38 SXH A 87 4.767 15.452 5.356 1.00 2.49 C HETATM 1293 C39 SXH A 87 5.290 14.003 5.314 1.00 2.41 C HETATM 1294 O40 SXH A 87 5.704 13.435 6.346 1.00 2.91 O HETATM 1295 N41 SXH A 87 5.270 13.412 4.140 1.00 2.12 N HETATM 1296 C42 SXH A 87 5.726 12.051 3.910 1.00 2.36 C HETATM 1297 C43 SXH A 87 4.594 11.142 3.503 1.00 2.13 C HETATM 1298 S1 SXH A 87 5.180 9.535 3.316 1.00 1.95 S HETATM 1299 C1 SXH A 87 3.651 8.746 3.074 1.00 1.93 C HETATM 1300 O1 SXH A 87 2.565 9.325 3.057 1.00 2.69 O HETATM 1301 C2 SXH A 87 3.742 7.241 2.938 1.00 1.85 C HETATM 1302 C3 SXH A 87 4.346 6.796 1.611 1.00 2.13 C HETATM 1303 C4 SXH A 87 3.454 7.138 0.431 1.00 2.00 C HETATM 1304 C5 SXH A 87 2.101 6.449 0.527 1.00 2.32 C HETATM 1305 C6 SXH A 87 1.231 6.879 -0.619 1.00 2.32 C HETATM 0 HO33 SXH A 87 -1.376 14.699 2.469 1.00 1.62 H new HETATM 0 HN41 SXH A 87 4.913 13.940 3.343 1.00 2.12 H new HETATM 0 HN36 SXH A 87 2.292 14.668 5.116 1.00 1.99 H new HETATM 0 H43A SXH A 87 3.806 11.167 4.256 1.00 2.13 H new HETATM 0 H42A SXH A 87 6.490 12.050 3.133 1.00 2.36 H new HETATM 0 H38A SXH A 87 5.624 16.125 5.353 1.00 2.49 H new HETATM 0 H37A SXH A 87 4.280 15.604 3.264 1.00 2.29 H new HETATM 0 H31B SXH A 87 0.643 12.004 1.416 1.00 1.28 H new HETATM 0 H31A SXH A 87 -0.176 13.557 1.126 1.00 1.28 H new HETATM 0 H30B SXH A 87 0.981 12.413 5.070 1.00 1.36 H new HETATM 0 H30A SXH A 87 1.256 11.329 3.686 1.00 1.36 H new HETATM 0 H28A SXH A 87 -1.269 12.354 4.532 1.00 1.13 H new HETATM 0 H6B SXH A 87 1.089 7.959 -0.583 1.00 2.32 H new HETATM 0 H6A SXH A 87 1.708 6.607 -1.560 1.00 2.32 H new HETATM 0 H6 SXH A 87 0.263 6.383 -0.547 1.00 2.32 H new HETATM 0 H5A SXH A 87 2.231 5.367 0.511 1.00 2.32 H new HETATM 0 H5 SXH A 87 1.622 6.698 1.474 1.00 2.32 H new HETATM 0 H4A SXH A 87 3.310 8.217 0.385 1.00 2.00 H new HETATM 0 H43 SXH A 87 4.153 11.490 2.569 1.00 2.13 H new HETATM 0 H42 SXH A 87 6.193 11.666 4.817 1.00 2.36 H new HETATM 0 H4 SXH A 87 3.947 6.843 -0.495 1.00 2.00 H new HETATM 0 H3A SXH A 87 5.318 7.271 1.479 1.00 2.13 H new HETATM 0 H38 SXH A 87 4.247 15.601 6.303 1.00 2.49 H new HETATM 0 H37 SXH A 87 3.711 16.952 4.228 1.00 2.29 H new HETATM 0 H32 SXH A 87 0.020 14.697 4.739 1.00 1.57 H new HETATM 0 H31 SXH A 87 1.556 13.527 1.532 1.00 1.28 H new HETATM 0 H30 SXH A 87 2.242 12.798 3.875 1.00 1.36 H new HETATM 0 H3 SXH A 87 4.518 5.720 1.635 1.00 2.13 H new HETATM 0 H2A SXH A 87 4.344 6.844 3.756 1.00 1.85 H new HETATM 0 H28 SXH A 87 -1.122 11.480 3.020 1.00 1.13 H new HETATM 0 H2 SXH A 87 2.745 6.812 3.039 1.00 1.85 H new