USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot 158:sc= 0.872 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 174:sc= 0.338 (180deg=0.158) USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= -0.233 USER MOD Set 2.2: A 38 MET CE :methyl -125:sc= -0.94 (180deg=-0.0951) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -70:sc= 0.138 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.218 USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.0518 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0396) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0877 X(o=-0.088,f=-0.52) USER MOD Single : A 46 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.2) USER MOD Single : A 49 THR OG1 : rot 76:sc= 0.283 USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= 0.526 (180deg=0.0729) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 61 TYR OH : rot 166:sc= -1.91! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.335 K(o=-0.33,f=-5!) USER MOD Single : A 70 HIS : +bothHN:sc= -3.61! C(o=-3.6!,f=-6.5!) USER MOD Single : A 83 CYS SG : rot -16:sc= 1.34 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 27 N PHE A 18 -8.243 9.281 3.490 1.00 0.00 N ATOM 28 CA PHE A 18 -7.245 9.063 2.448 1.00 0.00 C ATOM 29 C PHE A 18 -7.254 7.610 1.984 1.00 0.00 C ATOM 30 O PHE A 18 -7.670 6.716 2.721 1.00 0.00 O ATOM 31 CB PHE A 18 -5.853 9.436 2.960 1.00 0.00 C ATOM 32 CG PHE A 18 -5.032 10.203 1.964 1.00 0.00 C ATOM 33 CD1 PHE A 18 -5.138 11.582 1.872 1.00 0.00 C ATOM 34 CD2 PHE A 18 -4.153 9.545 1.117 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.385 12.289 0.957 1.00 0.00 C ATOM 36 CE2 PHE A 18 -3.396 10.248 0.200 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.513 11.622 0.119 1.00 0.00 C ATOM 0 HA PHE A 18 -7.496 9.700 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.956 10.030 3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.320 8.526 3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.818 12.109 2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.059 8.471 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.477 13.363 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.714 9.724 -0.453 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.924 12.174 -0.598 1.00 0.00 H new ATOM 47 N LYS A 19 -6.789 7.382 0.762 1.00 0.00 N ATOM 48 CA LYS A 19 -6.742 6.035 0.206 1.00 0.00 C ATOM 49 C LYS A 19 -5.840 5.979 -1.021 1.00 0.00 C ATOM 50 O LYS A 19 -6.074 6.673 -2.011 1.00 0.00 O ATOM 51 CB LYS A 19 -8.150 5.562 -0.161 1.00 0.00 C ATOM 52 CG LYS A 19 -8.272 4.053 -0.275 1.00 0.00 C ATOM 53 CD LYS A 19 -9.698 3.632 -0.587 1.00 0.00 C ATOM 54 CE LYS A 19 -9.966 3.629 -2.084 1.00 0.00 C ATOM 55 NZ LYS A 19 -10.788 2.459 -2.499 1.00 0.00 N ATOM 0 H LYS A 19 -6.440 8.110 0.138 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.329 5.373 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.852 5.919 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.441 6.015 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.605 3.691 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.950 3.589 0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.881 2.637 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.394 4.310 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.478 4.550 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.018 3.616 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.948 2.494 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.288 1.580 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.703 2.485 -2.005 1.00 0.00 H new ATOM 69 N VAL A 20 -4.808 5.146 -0.948 1.00 0.00 N ATOM 70 CA VAL A 20 -3.869 4.992 -2.052 1.00 0.00 C ATOM 71 C VAL A 20 -3.495 3.529 -2.252 1.00 0.00 C ATOM 72 O VAL A 20 -3.349 2.777 -1.288 1.00 0.00 O ATOM 73 CB VAL A 20 -2.586 5.811 -1.819 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.875 7.300 -1.930 1.00 0.00 C ATOM 75 CG2 VAL A 20 -1.980 5.476 -0.465 1.00 0.00 C ATOM 0 H VAL A 20 -4.601 4.566 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.369 5.364 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.862 5.548 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.956 7.862 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.260 7.523 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.616 7.584 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.074 6.064 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.697 5.709 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.734 4.415 -0.429 1.00 0.00 H new ATOM 85 N THR A 21 -3.341 3.129 -3.510 1.00 0.00 N ATOM 86 CA THR A 21 -2.984 1.754 -3.837 1.00 0.00 C ATOM 87 C THR A 21 -1.478 1.613 -4.028 1.00 0.00 C ATOM 88 O THR A 21 -0.892 2.252 -4.900 1.00 0.00 O ATOM 89 CB THR A 21 -3.715 1.302 -5.101 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.104 1.566 -5.001 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.549 -0.173 -5.395 1.00 0.00 C ATOM 0 H THR A 21 -3.458 3.738 -4.320 1.00 0.00 H new ATOM 0 HA THR A 21 -3.287 1.119 -3.004 1.00 0.00 H new ATOM 0 HB THR A 21 -3.262 1.871 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.505 0.961 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.093 -0.426 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.491 -0.400 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.943 -0.756 -4.563 1.00 0.00 H new ATOM 99 N VAL A 22 -0.859 0.772 -3.207 1.00 0.00 N ATOM 100 CA VAL A 22 0.579 0.547 -3.288 1.00 0.00 C ATOM 101 C VAL A 22 0.890 -0.729 -4.061 1.00 0.00 C ATOM 102 O VAL A 22 0.675 -1.835 -3.565 1.00 0.00 O ATOM 103 CB VAL A 22 1.213 0.454 -1.888 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.730 0.424 -1.989 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.753 1.611 -1.016 1.00 0.00 C ATOM 0 H VAL A 22 -1.330 0.235 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 22 1.005 1.401 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 22 0.885 -0.475 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.160 0.358 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.039 -0.442 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.080 1.334 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.211 1.528 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.049 2.554 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.332 1.582 -0.915 1.00 0.00 H new ATOM 115 N CYS A 23 1.400 -0.570 -5.277 1.00 0.00 N ATOM 116 CA CYS A 23 1.741 -1.713 -6.117 1.00 0.00 C ATOM 117 C CYS A 23 3.173 -2.167 -5.859 1.00 0.00 C ATOM 118 O CYS A 23 4.127 -1.561 -6.346 1.00 0.00 O ATOM 119 CB CYS A 23 1.567 -1.356 -7.594 1.00 0.00 C ATOM 120 SG CYS A 23 1.065 -2.748 -8.635 1.00 0.00 S ATOM 0 H CYS A 23 1.586 0.338 -5.703 1.00 0.00 H new ATOM 0 HA CYS A 23 1.067 -2.532 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.823 -0.564 -7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.506 -0.953 -7.973 1.00 0.00 H new ATOM 0 HG CYS A 23 0.941 -2.347 -9.866 1.00 0.00 H new ATOM 126 N PHE A 24 3.317 -3.242 -5.089 1.00 0.00 N ATOM 127 CA PHE A 24 4.632 -3.780 -4.767 1.00 0.00 C ATOM 128 C PHE A 24 5.105 -4.735 -5.856 1.00 0.00 C ATOM 129 O PHE A 24 4.685 -5.890 -5.905 1.00 0.00 O ATOM 130 CB PHE A 24 4.593 -4.501 -3.421 1.00 0.00 C ATOM 131 CG PHE A 24 4.624 -3.570 -2.245 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.792 -2.913 -1.896 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.484 -3.347 -1.492 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.824 -2.053 -0.816 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.508 -2.488 -0.410 1.00 0.00 C ATOM 136 CZ PHE A 24 4.680 -1.840 -0.072 1.00 0.00 C ATOM 0 H PHE A 24 2.538 -3.756 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 24 5.335 -2.950 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.690 -5.110 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.441 -5.183 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.689 -3.075 -2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.565 -3.850 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.742 -1.548 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.612 -2.324 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.702 -1.168 0.773 1.00 0.00 H new ATOM 146 N GLY A 25 5.980 -4.244 -6.728 1.00 0.00 N ATOM 147 CA GLY A 25 6.490 -5.067 -7.809 1.00 0.00 C ATOM 148 C GLY A 25 5.398 -5.497 -8.769 1.00 0.00 C ATOM 149 O GLY A 25 5.255 -4.930 -9.853 1.00 0.00 O ATOM 0 H GLY A 25 6.345 -3.292 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.254 -4.513 -8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.974 -5.951 -7.393 1.00 0.00 H new ATOM 153 N ARG A 26 4.621 -6.497 -8.366 1.00 0.00 N ATOM 154 CA ARG A 26 3.530 -7.002 -9.190 1.00 0.00 C ATOM 155 C ARG A 26 2.325 -7.363 -8.328 1.00 0.00 C ATOM 156 O ARG A 26 1.565 -8.274 -8.654 1.00 0.00 O ATOM 157 CB ARG A 26 3.987 -8.224 -9.990 1.00 0.00 C ATOM 158 CG ARG A 26 3.062 -8.579 -11.142 1.00 0.00 C ATOM 159 CD ARG A 26 2.853 -7.397 -12.075 1.00 0.00 C ATOM 160 NE ARG A 26 1.583 -6.719 -11.825 1.00 0.00 N ATOM 161 CZ ARG A 26 0.996 -5.899 -12.693 1.00 0.00 C ATOM 162 NH1 ARG A 26 1.562 -5.649 -13.867 1.00 0.00 N ATOM 163 NH2 ARG A 26 -0.159 -5.324 -12.386 1.00 0.00 N ATOM 0 H ARG A 26 4.728 -6.975 -7.471 1.00 0.00 H new ATOM 0 HA ARG A 26 3.236 -6.215 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.987 -8.038 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.062 -9.080 -9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.481 -9.416 -11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.100 -8.908 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.672 -6.689 -11.952 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.882 -7.742 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 26 1.119 -6.884 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.451 -6.086 -14.108 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.108 -5.020 -14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.598 -5.510 -11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.609 -4.695 -13.052 1.00 0.00 H new ATOM 177 N THR A 27 2.160 -6.640 -7.224 1.00 0.00 N ATOM 178 CA THR A 27 1.050 -6.878 -6.309 1.00 0.00 C ATOM 179 C THR A 27 0.441 -5.560 -5.839 1.00 0.00 C ATOM 180 O THR A 27 1.145 -4.692 -5.322 1.00 0.00 O ATOM 181 CB THR A 27 1.522 -7.695 -5.104 1.00 0.00 C ATOM 182 OG1 THR A 27 2.099 -8.919 -5.523 1.00 0.00 O ATOM 183 CG2 THR A 27 0.412 -8.022 -4.127 1.00 0.00 C ATOM 0 H THR A 27 2.783 -5.883 -6.942 1.00 0.00 H new ATOM 0 HA THR A 27 0.284 -7.441 -6.843 1.00 0.00 H new ATOM 0 HB THR A 27 2.254 -7.065 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.103 -9.552 -4.775 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.816 -8.602 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.021 -7.097 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.359 -8.602 -4.634 1.00 0.00 H new ATOM 191 N ARG A 28 -0.867 -5.417 -6.025 1.00 0.00 N ATOM 192 CA ARG A 28 -1.566 -4.201 -5.621 1.00 0.00 C ATOM 193 C ARG A 28 -2.187 -4.362 -4.237 1.00 0.00 C ATOM 194 O ARG A 28 -2.879 -5.343 -3.965 1.00 0.00 O ATOM 195 CB ARG A 28 -2.650 -3.851 -6.643 1.00 0.00 C ATOM 196 CG ARG A 28 -2.224 -2.790 -7.644 1.00 0.00 C ATOM 197 CD ARG A 28 -3.413 -1.984 -8.147 1.00 0.00 C ATOM 198 NE ARG A 28 -3.540 -2.045 -9.601 1.00 0.00 N ATOM 199 CZ ARG A 28 -4.295 -1.214 -10.316 1.00 0.00 C ATOM 200 NH1 ARG A 28 -4.991 -0.257 -9.714 1.00 0.00 N ATOM 201 NH2 ARG A 28 -4.353 -1.338 -11.635 1.00 0.00 N ATOM 0 H ARG A 28 -1.464 -6.126 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.839 -3.390 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.934 -4.754 -7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.538 -3.504 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.500 -2.120 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.723 -3.265 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.327 -2.361 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.304 -0.945 -7.836 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.019 -2.767 -10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.948 -0.156 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.568 0.378 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.819 -2.071 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.932 -0.701 -12.182 1.00 0.00 H new ATOM 215 N VAL A 29 -1.938 -3.389 -3.365 1.00 0.00 N ATOM 216 CA VAL A 29 -2.475 -3.418 -2.011 1.00 0.00 C ATOM 217 C VAL A 29 -3.038 -2.057 -1.616 1.00 0.00 C ATOM 218 O VAL A 29 -2.356 -1.037 -1.721 1.00 0.00 O ATOM 219 CB VAL A 29 -1.401 -3.835 -0.988 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.112 -5.325 -1.093 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.131 -3.023 -1.183 1.00 0.00 C ATOM 0 H VAL A 29 -1.367 -2.570 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.277 -4.157 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.783 -3.632 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.351 -5.600 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.025 -5.887 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.753 -5.556 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.615 -3.333 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.256 -3.189 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.352 -1.964 -1.050 1.00 0.00 H new ATOM 231 N ASP A 30 -4.287 -2.048 -1.162 1.00 0.00 N ATOM 232 CA ASP A 30 -4.943 -0.811 -0.751 1.00 0.00 C ATOM 233 C ASP A 30 -4.419 -0.338 0.600 1.00 0.00 C ATOM 234 O ASP A 30 -4.135 -1.146 1.484 1.00 0.00 O ATOM 235 CB ASP A 30 -6.458 -1.010 -0.684 1.00 0.00 C ATOM 236 CG ASP A 30 -7.099 -1.036 -2.057 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.668 -0.252 -2.929 1.00 0.00 O ATOM 238 OD2 ASP A 30 -8.032 -1.839 -2.262 1.00 0.00 O ATOM 0 H ASP A 30 -4.865 -2.883 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.717 -0.046 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.676 -1.944 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.901 -0.208 -0.094 1.00 0.00 H new ATOM 243 N VAL A 31 -4.295 0.977 0.755 1.00 0.00 N ATOM 244 CA VAL A 31 -3.808 1.556 2.001 1.00 0.00 C ATOM 245 C VAL A 31 -4.575 2.828 2.354 1.00 0.00 C ATOM 246 O VAL A 31 -4.217 3.921 1.915 1.00 0.00 O ATOM 247 CB VAL A 31 -2.306 1.885 1.917 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.770 2.293 3.280 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.530 0.700 1.364 1.00 0.00 C ATOM 0 H VAL A 31 -4.525 1.660 0.034 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.968 0.810 2.780 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.175 2.726 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.707 2.521 3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.305 3.175 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.913 1.476 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.471 0.951 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.667 -0.162 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.895 0.460 0.366 1.00 0.00 H new ATOM 259 N PRO A 32 -5.650 2.701 3.154 1.00 0.00 N ATOM 260 CA PRO A 32 -6.469 3.839 3.564 1.00 0.00 C ATOM 261 C PRO A 32 -5.904 4.558 4.785 1.00 0.00 C ATOM 262 O PRO A 32 -5.704 3.951 5.837 1.00 0.00 O ATOM 263 CB PRO A 32 -7.802 3.181 3.903 1.00 0.00 C ATOM 264 CG PRO A 32 -7.429 1.834 4.425 1.00 0.00 C ATOM 265 CD PRO A 32 -6.155 1.434 3.718 1.00 0.00 C ATOM 0 HA PRO A 32 -6.528 4.607 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.352 3.757 4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.442 3.103 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.280 1.865 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.222 1.111 4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.438 0.990 4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.345 0.697 2.938 1.00 0.00 H new ATOM 273 N CYS A 33 -5.649 5.855 4.638 1.00 0.00 N ATOM 274 CA CYS A 33 -5.110 6.653 5.733 1.00 0.00 C ATOM 275 C CYS A 33 -6.233 7.340 6.505 1.00 0.00 C ATOM 276 O CYS A 33 -7.215 7.792 5.918 1.00 0.00 O ATOM 277 CB CYS A 33 -4.127 7.698 5.199 1.00 0.00 C ATOM 278 SG CYS A 33 -2.692 7.972 6.262 1.00 0.00 S ATOM 0 H CYS A 33 -5.807 6.374 3.774 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.581 5.984 6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.781 7.386 4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.654 8.643 5.067 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.920 8.869 5.725 1.00 0.00 H new ATOM 284 N GLY A 34 -6.079 7.410 7.824 1.00 0.00 N ATOM 285 CA GLY A 34 -7.087 8.039 8.659 1.00 0.00 C ATOM 286 C GLY A 34 -7.434 9.444 8.207 1.00 0.00 C ATOM 287 O GLY A 34 -8.433 9.653 7.517 1.00 0.00 O ATOM 0 H GLY A 34 -5.273 7.042 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.989 7.428 8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.730 8.072 9.688 1.00 0.00 H new ATOM 291 N ASP A 35 -6.611 10.412 8.599 1.00 0.00 N ATOM 292 CA ASP A 35 -6.839 11.805 8.232 1.00 0.00 C ATOM 293 C ASP A 35 -5.970 12.206 7.047 1.00 0.00 C ATOM 294 O ASP A 35 -6.384 12.995 6.197 1.00 0.00 O ATOM 295 CB ASP A 35 -6.548 12.720 9.424 1.00 0.00 C ATOM 296 CG ASP A 35 -7.809 13.130 10.160 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.885 13.163 9.524 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.723 13.419 11.372 1.00 0.00 O ATOM 0 H ASP A 35 -5.781 10.257 9.171 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.885 11.912 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.877 12.210 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.028 13.612 9.075 1.00 0.00 H new ATOM 303 N GLY A 36 -4.759 11.661 7.000 1.00 0.00 N ATOM 304 CA GLY A 36 -3.845 11.977 5.920 1.00 0.00 C ATOM 305 C GLY A 36 -2.637 12.765 6.393 1.00 0.00 C ATOM 306 O GLY A 36 -1.910 13.340 5.585 1.00 0.00 O ATOM 0 H GLY A 36 -4.395 11.006 7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.510 11.053 5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.373 12.550 5.158 1.00 0.00 H new ATOM 310 N ARG A 37 -2.423 12.791 7.707 1.00 0.00 N ATOM 311 CA ARG A 37 -1.295 13.511 8.282 1.00 0.00 C ATOM 312 C ARG A 37 -0.142 12.561 8.585 1.00 0.00 C ATOM 313 O ARG A 37 0.654 12.801 9.493 1.00 0.00 O ATOM 314 CB ARG A 37 -1.720 14.238 9.559 1.00 0.00 C ATOM 315 CG ARG A 37 -2.776 15.307 9.329 1.00 0.00 C ATOM 316 CD ARG A 37 -3.169 15.991 10.629 1.00 0.00 C ATOM 317 NE ARG A 37 -4.597 16.291 10.680 1.00 0.00 N ATOM 318 CZ ARG A 37 -5.159 17.329 10.063 1.00 0.00 C ATOM 319 NH1 ARG A 37 -4.417 18.166 9.350 1.00 0.00 N ATOM 320 NH2 ARG A 37 -6.465 17.530 10.161 1.00 0.00 N ATOM 0 H ARG A 37 -3.017 12.321 8.391 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.957 14.246 7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.103 13.508 10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.843 14.698 10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.397 16.049 8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.658 14.857 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.903 15.351 11.470 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.601 16.914 10.739 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.199 15.669 11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.411 18.016 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.852 18.959 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.040 16.890 10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.896 18.325 9.689 1.00 0.00 H new ATOM 334 N MET A 38 -0.060 11.482 7.815 1.00 0.00 N ATOM 335 CA MET A 38 0.997 10.493 7.996 1.00 0.00 C ATOM 336 C MET A 38 2.046 10.620 6.900 1.00 0.00 C ATOM 337 O MET A 38 1.726 10.939 5.755 1.00 0.00 O ATOM 338 CB MET A 38 0.415 9.079 7.992 1.00 0.00 C ATOM 339 CG MET A 38 1.288 8.060 8.704 1.00 0.00 C ATOM 340 SD MET A 38 0.345 6.661 9.341 1.00 0.00 S ATOM 341 CE MET A 38 -0.393 6.037 7.834 1.00 0.00 C ATOM 0 H MET A 38 -0.712 11.270 7.060 1.00 0.00 H new ATOM 0 HA MET A 38 1.471 10.679 8.960 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.567 9.098 8.465 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.266 8.760 6.961 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.050 7.696 8.015 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.810 8.547 9.528 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.475 5.986 7.953 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.150 6.704 7.007 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.004 5.041 7.624 1.00 0.00 H new ATOM 351 N LYS A 39 3.298 10.364 7.255 1.00 0.00 N ATOM 352 CA LYS A 39 4.391 10.446 6.298 1.00 0.00 C ATOM 353 C LYS A 39 4.428 9.205 5.415 1.00 0.00 C ATOM 354 O LYS A 39 4.076 8.105 5.851 1.00 0.00 O ATOM 355 CB LYS A 39 5.726 10.609 7.027 1.00 0.00 C ATOM 356 CG LYS A 39 6.826 11.197 6.159 1.00 0.00 C ATOM 357 CD LYS A 39 6.782 12.717 6.161 1.00 0.00 C ATOM 358 CE LYS A 39 7.512 13.293 7.363 1.00 0.00 C ATOM 359 NZ LYS A 39 6.932 14.595 7.793 1.00 0.00 N ATOM 0 H LYS A 39 3.581 10.098 8.198 1.00 0.00 H new ATOM 0 HA LYS A 39 4.225 11.318 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.580 11.250 7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.049 9.636 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.797 10.859 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.721 10.830 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.233 13.096 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.745 13.052 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.466 12.584 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.565 13.428 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.546 15.028 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.859 15.230 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.986 14.438 8.195 1.00 0.00 H new ATOM 373 N VAL A 40 4.859 9.382 4.169 1.00 0.00 N ATOM 374 CA VAL A 40 4.944 8.270 3.231 1.00 0.00 C ATOM 375 C VAL A 40 5.659 7.083 3.867 1.00 0.00 C ATOM 376 O VAL A 40 5.235 5.940 3.718 1.00 0.00 O ATOM 377 CB VAL A 40 5.680 8.674 1.937 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.751 7.503 0.969 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.000 9.870 1.286 1.00 0.00 C ATOM 0 H VAL A 40 5.153 10.281 3.788 1.00 0.00 H new ATOM 0 HA VAL A 40 3.923 7.987 2.976 1.00 0.00 H new ATOM 0 HB VAL A 40 6.699 8.960 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.274 7.811 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.288 6.677 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.742 7.181 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.533 10.140 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.969 9.614 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.010 10.714 1.976 1.00 0.00 H new ATOM 389 N PHE A 41 6.742 7.366 4.587 1.00 0.00 N ATOM 390 CA PHE A 41 7.517 6.324 5.253 1.00 0.00 C ATOM 391 C PHE A 41 6.614 5.409 6.075 1.00 0.00 C ATOM 392 O PHE A 41 6.815 4.195 6.113 1.00 0.00 O ATOM 393 CB PHE A 41 8.584 6.952 6.153 1.00 0.00 C ATOM 394 CG PHE A 41 9.430 5.945 6.878 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.364 5.183 6.194 1.00 0.00 C ATOM 396 CD2 PHE A 41 9.292 5.760 8.245 1.00 0.00 C ATOM 397 CE1 PHE A 41 11.144 4.256 6.859 1.00 0.00 C ATOM 398 CE2 PHE A 41 10.070 4.834 8.915 1.00 0.00 C ATOM 399 CZ PHE A 41 10.996 4.082 8.220 1.00 0.00 C ATOM 0 H PHE A 41 7.103 8.310 4.724 1.00 0.00 H new ATOM 0 HA PHE A 41 8.005 5.723 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.230 7.587 5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.097 7.598 6.884 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.484 5.315 5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.569 6.346 8.793 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.868 3.669 6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.954 4.699 9.980 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.604 3.358 8.741 1.00 0.00 H new ATOM 409 N SER A 42 5.615 5.997 6.723 1.00 0.00 N ATOM 410 CA SER A 42 4.683 5.228 7.532 1.00 0.00 C ATOM 411 C SER A 42 3.729 4.445 6.638 1.00 0.00 C ATOM 412 O SER A 42 3.327 3.328 6.968 1.00 0.00 O ATOM 413 CB SER A 42 3.896 6.150 8.464 1.00 0.00 C ATOM 414 OG SER A 42 4.431 6.127 9.776 1.00 0.00 O ATOM 0 H SER A 42 5.432 7.000 6.703 1.00 0.00 H new ATOM 0 HA SER A 42 5.252 4.524 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.918 7.169 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.851 5.841 8.489 1.00 0.00 H new ATOM 0 HG SER A 42 3.911 6.726 10.352 1.00 0.00 H new ATOM 420 N LEU A 43 3.377 5.036 5.500 1.00 0.00 N ATOM 421 CA LEU A 43 2.475 4.389 4.557 1.00 0.00 C ATOM 422 C LEU A 43 3.158 3.204 3.886 1.00 0.00 C ATOM 423 O LEU A 43 2.537 2.166 3.661 1.00 0.00 O ATOM 424 CB LEU A 43 1.996 5.388 3.502 1.00 0.00 C ATOM 425 CG LEU A 43 0.719 4.982 2.762 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.027 6.212 2.272 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.050 4.057 1.600 1.00 0.00 C ATOM 0 H LEU A 43 3.702 5.958 5.211 1.00 0.00 H new ATOM 0 HA LEU A 43 1.610 4.023 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.828 6.351 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.792 5.532 2.771 1.00 0.00 H new ATOM 0 HG LEU A 43 0.073 4.444 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.932 5.904 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.295 6.838 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.611 6.778 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.131 3.778 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.715 4.570 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.541 3.160 1.977 1.00 0.00 H new ATOM 439 N ILE A 44 4.439 3.361 3.574 1.00 0.00 N ATOM 440 CA ILE A 44 5.199 2.297 2.938 1.00 0.00 C ATOM 441 C ILE A 44 5.352 1.111 3.879 1.00 0.00 C ATOM 442 O ILE A 44 5.153 -0.035 3.486 1.00 0.00 O ATOM 443 CB ILE A 44 6.591 2.779 2.496 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.462 4.063 1.674 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.295 1.687 1.700 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.673 4.378 0.820 1.00 0.00 C ATOM 0 H ILE A 44 4.970 4.213 3.751 1.00 0.00 H new ATOM 0 HA ILE A 44 4.642 1.991 2.052 1.00 0.00 H new ATOM 0 HB ILE A 44 7.193 2.997 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.587 3.982 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.282 4.898 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.280 2.039 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.405 0.798 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.705 1.442 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.500 5.303 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.548 4.494 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.843 3.564 0.116 1.00 0.00 H new ATOM 458 N GLN A 45 5.704 1.397 5.130 1.00 0.00 N ATOM 459 CA GLN A 45 5.875 0.348 6.128 1.00 0.00 C ATOM 460 C GLN A 45 4.586 -0.443 6.304 1.00 0.00 C ATOM 461 O GLN A 45 4.607 -1.668 6.433 1.00 0.00 O ATOM 462 CB GLN A 45 6.309 0.952 7.466 1.00 0.00 C ATOM 463 CG GLN A 45 6.932 -0.058 8.415 1.00 0.00 C ATOM 464 CD GLN A 45 5.999 -0.450 9.544 1.00 0.00 C ATOM 465 OE1 GLN A 45 5.323 0.397 10.130 1.00 0.00 O ATOM 466 NE2 GLN A 45 5.957 -1.741 9.855 1.00 0.00 N ATOM 0 H GLN A 45 5.875 2.342 5.474 1.00 0.00 H new ATOM 0 HA GLN A 45 6.653 -0.332 5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.025 1.752 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.443 1.406 7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.215 -0.950 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.848 0.359 8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.534 -2.408 9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.347 -2.065 10.606 1.00 0.00 H new ATOM 475 N GLN A 46 3.460 0.264 6.305 1.00 0.00 N ATOM 476 CA GLN A 46 2.160 -0.376 6.458 1.00 0.00 C ATOM 477 C GLN A 46 1.830 -1.229 5.238 1.00 0.00 C ATOM 478 O GLN A 46 1.366 -2.364 5.365 1.00 0.00 O ATOM 479 CB GLN A 46 1.070 0.679 6.671 1.00 0.00 C ATOM 480 CG GLN A 46 1.025 1.232 8.086 1.00 0.00 C ATOM 481 CD GLN A 46 -0.258 0.878 8.811 1.00 0.00 C ATOM 482 OE1 GLN A 46 -1.319 0.756 8.197 1.00 0.00 O ATOM 483 NE2 GLN A 46 -0.171 0.711 10.126 1.00 0.00 N ATOM 0 H GLN A 46 3.423 1.278 6.202 1.00 0.00 H new ATOM 0 HA GLN A 46 2.201 -1.025 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.231 1.501 5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.101 0.242 6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.874 0.846 8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.131 2.316 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.728 0.821 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.003 0.472 10.666 1.00 0.00 H new ATOM 492 N ALA A 47 2.073 -0.676 4.055 1.00 0.00 N ATOM 493 CA ALA A 47 1.804 -1.383 2.809 1.00 0.00 C ATOM 494 C ALA A 47 2.731 -2.585 2.648 1.00 0.00 C ATOM 495 O ALA A 47 2.319 -3.637 2.162 1.00 0.00 O ATOM 496 CB ALA A 47 1.943 -0.438 1.625 1.00 0.00 C ATOM 0 H ALA A 47 2.456 0.261 3.933 1.00 0.00 H new ATOM 0 HA ALA A 47 0.779 -1.753 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.739 -0.980 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.233 0.382 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.957 -0.039 1.595 1.00 0.00 H new ATOM 502 N VAL A 48 3.984 -2.424 3.067 1.00 0.00 N ATOM 503 CA VAL A 48 4.965 -3.502 2.974 1.00 0.00 C ATOM 504 C VAL A 48 4.497 -4.717 3.768 1.00 0.00 C ATOM 505 O VAL A 48 4.414 -5.825 3.238 1.00 0.00 O ATOM 506 CB VAL A 48 6.349 -3.052 3.488 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.324 -4.223 3.523 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.900 -1.926 2.626 1.00 0.00 C ATOM 0 H VAL A 48 4.343 -1.560 3.473 1.00 0.00 H new ATOM 0 HA VAL A 48 5.059 -3.769 1.921 1.00 0.00 H new ATOM 0 HB VAL A 48 6.227 -2.681 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.292 -3.880 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.939 -4.997 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.439 -4.631 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.876 -1.623 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.001 -2.271 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.218 -1.076 2.658 1.00 0.00 H new ATOM 518 N THR A 49 4.185 -4.499 5.041 1.00 0.00 N ATOM 519 CA THR A 49 3.717 -5.575 5.907 1.00 0.00 C ATOM 520 C THR A 49 2.491 -6.256 5.303 1.00 0.00 C ATOM 521 O THR A 49 2.381 -7.482 5.311 1.00 0.00 O ATOM 522 CB THR A 49 3.380 -5.029 7.296 1.00 0.00 C ATOM 523 OG1 THR A 49 4.507 -4.389 7.870 1.00 0.00 O ATOM 524 CG2 THR A 49 2.917 -6.097 8.264 1.00 0.00 C ATOM 0 H THR A 49 4.248 -3.588 5.496 1.00 0.00 H new ATOM 0 HA THR A 49 4.515 -6.312 6.000 1.00 0.00 H new ATOM 0 HB THR A 49 2.563 -4.325 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.630 -3.510 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.695 -5.642 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.019 -6.577 7.874 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.703 -6.842 8.387 1.00 0.00 H new ATOM 532 N ARG A 50 1.577 -5.448 4.774 1.00 0.00 N ATOM 533 CA ARG A 50 0.362 -5.969 4.158 1.00 0.00 C ATOM 534 C ARG A 50 0.700 -6.848 2.958 1.00 0.00 C ATOM 535 O ARG A 50 0.054 -7.869 2.722 1.00 0.00 O ATOM 536 CB ARG A 50 -0.550 -4.817 3.727 1.00 0.00 C ATOM 537 CG ARG A 50 -1.938 -4.879 4.344 1.00 0.00 C ATOM 538 CD ARG A 50 -2.774 -5.987 3.725 1.00 0.00 C ATOM 539 NE ARG A 50 -3.993 -6.246 4.489 1.00 0.00 N ATOM 540 CZ ARG A 50 -5.049 -6.891 3.999 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.040 -7.345 2.753 1.00 0.00 N ATOM 542 NH2 ARG A 50 -6.118 -7.085 4.762 1.00 0.00 N ATOM 0 H ARG A 50 1.655 -4.431 4.760 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.162 -6.578 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.082 -3.871 4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.643 -4.825 2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.853 -5.043 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.441 -3.922 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.038 -5.714 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.181 -6.900 3.668 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.037 -5.914 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.220 -7.201 2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.853 -7.838 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.129 -6.740 5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.928 -7.579 4.388 1.00 0.00 H new ATOM 556 N TYR A 51 1.719 -6.445 2.203 1.00 0.00 N ATOM 557 CA TYR A 51 2.146 -7.198 1.029 1.00 0.00 C ATOM 558 C TYR A 51 2.546 -8.619 1.416 1.00 0.00 C ATOM 559 O TYR A 51 1.997 -9.590 0.897 1.00 0.00 O ATOM 560 CB TYR A 51 3.316 -6.484 0.340 1.00 0.00 C ATOM 561 CG TYR A 51 4.022 -7.328 -0.700 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.473 -7.517 -1.962 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.240 -7.934 -0.417 1.00 0.00 C ATOM 564 CE1 TYR A 51 4.117 -8.287 -2.911 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.889 -8.706 -1.361 1.00 0.00 C ATOM 566 CZ TYR A 51 5.323 -8.880 -2.606 1.00 0.00 C ATOM 567 OH TYR A 51 5.967 -9.647 -3.549 1.00 0.00 O ATOM 0 H TYR A 51 2.263 -5.602 2.384 1.00 0.00 H new ATOM 0 HA TYR A 51 1.309 -7.256 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.946 -5.575 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.038 -6.178 1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.528 -7.055 -2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.687 -7.799 0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.677 -8.424 -3.888 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.835 -9.171 -1.125 1.00 0.00 H new ATOM 0 HH TYR A 51 6.923 -9.693 -3.336 1.00 0.00 H new ATOM 577 N ARG A 52 3.503 -8.733 2.333 1.00 0.00 N ATOM 578 CA ARG A 52 3.975 -10.037 2.791 1.00 0.00 C ATOM 579 C ARG A 52 2.806 -10.922 3.218 1.00 0.00 C ATOM 580 O ARG A 52 2.720 -12.086 2.824 1.00 0.00 O ATOM 581 CB ARG A 52 4.952 -9.865 3.959 1.00 0.00 C ATOM 582 CG ARG A 52 6.400 -10.143 3.589 1.00 0.00 C ATOM 583 CD ARG A 52 7.316 -10.024 4.797 1.00 0.00 C ATOM 584 NE ARG A 52 7.303 -8.676 5.362 1.00 0.00 N ATOM 585 CZ ARG A 52 8.277 -8.180 6.122 1.00 0.00 C ATOM 586 NH1 ARG A 52 9.344 -8.915 6.410 1.00 0.00 N ATOM 587 NH2 ARG A 52 8.185 -6.945 6.595 1.00 0.00 N ATOM 0 H ARG A 52 3.967 -7.939 2.774 1.00 0.00 H new ATOM 0 HA ARG A 52 4.489 -10.522 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.873 -8.847 4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.658 -10.533 4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.483 -11.144 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.720 -9.443 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.007 -10.740 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.334 -10.286 4.508 1.00 0.00 H new ATOM 0 HE ARG A 52 6.500 -8.080 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.421 -9.866 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.087 -8.529 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.368 -6.375 6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.931 -6.565 7.177 1.00 0.00 H new ATOM 601 N LYS A 53 1.910 -10.360 4.021 1.00 0.00 N ATOM 602 CA LYS A 53 0.744 -11.097 4.501 1.00 0.00 C ATOM 603 C LYS A 53 -0.273 -11.310 3.384 1.00 0.00 C ATOM 604 O LYS A 53 -1.057 -12.258 3.421 1.00 0.00 O ATOM 605 CB LYS A 53 0.090 -10.351 5.665 1.00 0.00 C ATOM 606 CG LYS A 53 1.041 -10.070 6.818 1.00 0.00 C ATOM 607 CD LYS A 53 1.389 -11.341 7.579 1.00 0.00 C ATOM 608 CE LYS A 53 2.880 -11.625 7.541 1.00 0.00 C ATOM 609 NZ LYS A 53 3.167 -13.086 7.555 1.00 0.00 N ATOM 0 H LYS A 53 1.967 -9.398 4.354 1.00 0.00 H new ATOM 0 HA LYS A 53 1.083 -12.074 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.314 -9.407 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.752 -10.937 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.953 -9.613 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.586 -9.351 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.062 -11.247 8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.847 -12.183 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.312 -11.179 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.362 -11.152 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.873 -13.294 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.292 -13.610 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.537 -13.376 6.627 1.00 0.00 H new ATOM 623 N ALA A 54 -0.258 -10.425 2.392 1.00 0.00 N ATOM 624 CA ALA A 54 -1.184 -10.521 1.270 1.00 0.00 C ATOM 625 C ALA A 54 -0.757 -11.614 0.294 1.00 0.00 C ATOM 626 O ALA A 54 -1.595 -12.331 -0.253 1.00 0.00 O ATOM 627 CB ALA A 54 -1.284 -9.182 0.554 1.00 0.00 C ATOM 0 H ALA A 54 0.385 -9.634 2.343 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.165 -10.786 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.979 -9.267 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.644 -8.424 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.301 -8.895 0.181 1.00 0.00 H new ATOM 633 N VAL A 55 0.548 -11.733 0.079 1.00 0.00 N ATOM 634 CA VAL A 55 1.083 -12.738 -0.831 1.00 0.00 C ATOM 635 C VAL A 55 1.435 -14.032 -0.097 1.00 0.00 C ATOM 636 O VAL A 55 2.107 -14.903 -0.647 1.00 0.00 O ATOM 637 CB VAL A 55 2.331 -12.215 -1.571 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.472 -11.962 -0.595 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.756 -13.191 -2.657 1.00 0.00 C ATOM 0 H VAL A 55 1.255 -11.146 0.522 1.00 0.00 H new ATOM 0 HA VAL A 55 0.300 -12.950 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 55 2.075 -11.267 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.342 -11.594 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.163 -11.220 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.729 -12.891 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.638 -12.805 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.990 -14.156 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.945 -13.312 -3.375 1.00 0.00 H new ATOM 649 N ALA A 56 0.976 -14.153 1.147 1.00 0.00 N ATOM 650 CA ALA A 56 1.244 -15.342 1.947 1.00 0.00 C ATOM 651 C ALA A 56 2.743 -15.587 2.091 1.00 0.00 C ATOM 652 O ALA A 56 3.246 -16.655 1.740 1.00 0.00 O ATOM 653 CB ALA A 56 0.564 -16.555 1.329 1.00 0.00 C ATOM 0 H ALA A 56 0.418 -13.443 1.621 1.00 0.00 H new ATOM 0 HA ALA A 56 0.836 -15.177 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.771 -17.437 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.512 -16.387 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.945 -16.711 0.320 1.00 0.00 H new ATOM 659 N LYS A 57 3.453 -14.591 2.614 1.00 0.00 N ATOM 660 CA LYS A 57 4.894 -14.700 2.807 1.00 0.00 C ATOM 661 C LYS A 57 5.262 -14.525 4.276 1.00 0.00 C ATOM 662 O LYS A 57 4.389 -14.404 5.136 1.00 0.00 O ATOM 663 CB LYS A 57 5.626 -13.658 1.964 1.00 0.00 C ATOM 664 CG LYS A 57 5.917 -14.124 0.547 1.00 0.00 C ATOM 665 CD LYS A 57 6.469 -12.992 -0.298 1.00 0.00 C ATOM 666 CE LYS A 57 6.376 -13.306 -1.782 1.00 0.00 C ATOM 667 NZ LYS A 57 6.712 -12.123 -2.623 1.00 0.00 N ATOM 0 H LYS A 57 3.054 -13.701 2.911 1.00 0.00 H new ATOM 0 HA LYS A 57 5.200 -15.696 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.027 -12.748 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.565 -13.400 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.632 -14.946 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.004 -14.509 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.919 -12.076 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.509 -12.810 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.053 -14.126 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.367 -13.645 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.736 -12.404 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.992 -11.385 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.643 -11.753 -2.345 1.00 0.00 H new ATOM 681 N ASP A 58 6.561 -14.511 4.555 1.00 0.00 N ATOM 682 CA ASP A 58 7.050 -14.350 5.917 1.00 0.00 C ATOM 683 C ASP A 58 8.386 -13.607 5.922 1.00 0.00 C ATOM 684 O ASP A 58 8.975 -13.377 4.867 1.00 0.00 O ATOM 685 CB ASP A 58 7.201 -15.719 6.586 1.00 0.00 C ATOM 686 CG ASP A 58 6.127 -15.980 7.625 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.483 -15.007 8.072 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.929 -17.157 7.992 1.00 0.00 O ATOM 0 H ASP A 58 7.295 -14.610 3.853 1.00 0.00 H new ATOM 0 HA ASP A 58 6.326 -13.761 6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.162 -16.498 5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.182 -15.783 7.058 1.00 0.00 H new ATOM 693 N PRO A 59 8.884 -13.217 7.110 1.00 0.00 N ATOM 694 CA PRO A 59 10.157 -12.494 7.230 1.00 0.00 C ATOM 695 C PRO A 59 11.358 -13.323 6.773 1.00 0.00 C ATOM 696 O PRO A 59 12.471 -12.809 6.673 1.00 0.00 O ATOM 697 CB PRO A 59 10.260 -12.186 8.727 1.00 0.00 C ATOM 698 CG PRO A 59 9.369 -13.179 9.390 1.00 0.00 C ATOM 699 CD PRO A 59 8.251 -13.440 8.421 1.00 0.00 C ATOM 0 HA PRO A 59 10.172 -11.608 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.287 -12.281 9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.942 -11.166 8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.910 -14.097 9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.986 -12.791 10.334 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.866 -14.455 8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.411 -12.764 8.583 1.00 0.00 H new ATOM 707 N ASN A 60 11.130 -14.607 6.497 1.00 0.00 N ATOM 708 CA ASN A 60 12.197 -15.501 6.053 1.00 0.00 C ATOM 709 C ASN A 60 13.048 -14.858 4.958 1.00 0.00 C ATOM 710 O ASN A 60 14.264 -15.040 4.921 1.00 0.00 O ATOM 711 CB ASN A 60 11.606 -16.816 5.545 1.00 0.00 C ATOM 712 CG ASN A 60 11.203 -17.744 6.676 1.00 0.00 C ATOM 713 OD1 ASN A 60 12.052 -18.242 7.415 1.00 0.00 O ATOM 714 ND2 ASN A 60 9.905 -17.981 6.813 1.00 0.00 N ATOM 0 H ASN A 60 10.215 -15.051 6.573 1.00 0.00 H new ATOM 0 HA ASN A 60 12.841 -15.699 6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.735 -16.604 4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.336 -17.318 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.575 -18.598 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.237 -17.546 6.177 1.00 0.00 H new ATOM 721 N TYR A 61 12.404 -14.105 4.072 1.00 0.00 N ATOM 722 CA TYR A 61 13.113 -13.439 2.982 1.00 0.00 C ATOM 723 C TYR A 61 13.254 -11.943 3.259 1.00 0.00 C ATOM 724 O TYR A 61 12.474 -11.368 4.017 1.00 0.00 O ATOM 725 CB TYR A 61 12.393 -13.676 1.647 1.00 0.00 C ATOM 726 CG TYR A 61 11.189 -12.784 1.421 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.039 -12.930 2.185 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.205 -11.799 0.444 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.939 -12.118 1.981 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.109 -10.984 0.234 1.00 0.00 C ATOM 731 CZ TYR A 61 8.980 -11.148 1.005 1.00 0.00 C ATOM 732 OH TYR A 61 7.887 -10.340 0.798 1.00 0.00 O ATOM 0 H TYR A 61 11.397 -13.940 4.086 1.00 0.00 H new ATOM 0 HA TYR A 61 14.113 -13.867 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.102 -13.523 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.073 -14.717 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.003 -13.690 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.089 -11.667 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.052 -12.244 2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.138 -10.222 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 61 8.146 -9.576 0.242 1.00 0.00 H new ATOM 742 N TRP A 62 14.256 -11.321 2.644 1.00 0.00 N ATOM 743 CA TRP A 62 14.498 -9.895 2.832 1.00 0.00 C ATOM 744 C TRP A 62 13.642 -9.062 1.885 1.00 0.00 C ATOM 745 O TRP A 62 13.265 -9.522 0.804 1.00 0.00 O ATOM 746 CB TRP A 62 15.984 -9.570 2.622 1.00 0.00 C ATOM 747 CG TRP A 62 16.314 -9.095 1.235 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.045 -9.741 0.065 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.961 -7.869 0.876 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.499 -9.002 -1.000 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.063 -7.847 -0.528 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.468 -6.790 1.604 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.650 -6.788 -1.216 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.048 -5.740 0.919 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.135 -5.746 -0.479 1.00 0.00 C ATOM 0 H TRP A 62 14.912 -11.781 2.013 1.00 0.00 H new ATOM 0 HA TRP A 62 14.221 -9.642 3.855 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.283 -8.805 3.338 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.575 -10.460 2.841 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.547 -10.696 -0.013 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.428 -9.270 -1.982 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.408 -6.777 2.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.719 -6.791 -2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.441 -4.899 1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.595 -4.910 -0.984 1.00 0.00 H new ATOM 766 N ILE A 63 13.357 -7.829 2.295 1.00 0.00 N ATOM 767 CA ILE A 63 12.564 -6.915 1.486 1.00 0.00 C ATOM 768 C ILE A 63 13.096 -5.489 1.600 1.00 0.00 C ATOM 769 O ILE A 63 12.981 -4.856 2.649 1.00 0.00 O ATOM 770 CB ILE A 63 11.078 -6.934 1.903 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.504 -8.343 1.770 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.273 -5.951 1.064 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.147 -8.503 2.423 1.00 0.00 C ATOM 0 H ILE A 63 13.666 -7.441 3.186 1.00 0.00 H new ATOM 0 HA ILE A 63 12.644 -7.252 0.453 1.00 0.00 H new ATOM 0 HB ILE A 63 11.011 -6.630 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.423 -8.596 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.200 -9.054 2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.228 -5.979 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.666 -4.944 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.347 -6.225 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.798 -9.527 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.227 -8.281 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.438 -7.816 1.961 1.00 0.00 H new ATOM 785 N GLN A 64 13.671 -4.991 0.512 1.00 0.00 N ATOM 786 CA GLN A 64 14.212 -3.637 0.487 1.00 0.00 C ATOM 787 C GLN A 64 13.280 -2.700 -0.271 1.00 0.00 C ATOM 788 O GLN A 64 13.240 -2.710 -1.502 1.00 0.00 O ATOM 789 CB GLN A 64 15.598 -3.632 -0.160 1.00 0.00 C ATOM 790 CG GLN A 64 16.588 -2.706 0.530 1.00 0.00 C ATOM 791 CD GLN A 64 17.099 -1.611 -0.386 1.00 0.00 C ATOM 792 OE1 GLN A 64 16.530 -0.522 -0.447 1.00 0.00 O ATOM 793 NE2 GLN A 64 18.178 -1.897 -1.105 1.00 0.00 N ATOM 0 H GLN A 64 13.775 -5.504 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 64 14.299 -3.284 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.997 -4.646 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.501 -3.334 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.111 -2.254 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.432 -3.291 0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.618 -2.814 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.567 -1.200 -1.740 1.00 0.00 H new ATOM 802 N VAL A 65 12.528 -1.895 0.470 1.00 0.00 N ATOM 803 CA VAL A 65 11.593 -0.955 -0.134 1.00 0.00 C ATOM 804 C VAL A 65 12.322 0.258 -0.702 1.00 0.00 C ATOM 805 O VAL A 65 12.644 1.199 0.025 1.00 0.00 O ATOM 806 CB VAL A 65 10.532 -0.475 0.878 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.381 0.216 0.161 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.022 -1.639 1.719 1.00 0.00 C ATOM 0 H VAL A 65 12.548 -1.875 1.490 1.00 0.00 H new ATOM 0 HA VAL A 65 11.093 -1.489 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 65 11.001 0.247 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.643 0.547 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.760 1.078 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.915 -0.481 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.275 -1.277 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.573 -2.389 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.853 -2.084 2.266 1.00 0.00 H new ATOM 818 N HIS A 66 12.581 0.229 -2.006 1.00 0.00 N ATOM 819 CA HIS A 66 13.275 1.324 -2.675 1.00 0.00 C ATOM 820 C HIS A 66 12.532 2.643 -2.482 1.00 0.00 C ATOM 821 O HIS A 66 12.919 3.470 -1.657 1.00 0.00 O ATOM 822 CB HIS A 66 13.428 1.022 -4.168 1.00 0.00 C ATOM 823 CG HIS A 66 14.382 -0.096 -4.458 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.741 0.000 -4.246 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.164 -1.340 -4.947 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.319 -1.137 -4.593 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.385 -1.966 -5.021 1.00 0.00 N ATOM 0 H HIS A 66 12.320 -0.542 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 66 14.264 1.420 -2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.451 0.772 -4.582 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.770 1.922 -4.679 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.210 -1.761 -5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.376 -1.351 -4.536 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.544 -2.917 -5.353 1.00 0.00 H new ATOM 836 N ARG A 67 11.466 2.833 -3.251 1.00 0.00 N ATOM 837 CA ARG A 67 10.670 4.052 -3.167 1.00 0.00 C ATOM 838 C ARG A 67 9.286 3.843 -3.777 1.00 0.00 C ATOM 839 O ARG A 67 8.950 2.742 -4.214 1.00 0.00 O ATOM 840 CB ARG A 67 11.385 5.202 -3.880 1.00 0.00 C ATOM 841 CG ARG A 67 11.628 4.944 -5.357 1.00 0.00 C ATOM 842 CD ARG A 67 13.094 5.125 -5.724 1.00 0.00 C ATOM 843 NE ARG A 67 13.258 5.715 -7.051 1.00 0.00 N ATOM 844 CZ ARG A 67 13.136 7.016 -7.303 1.00 0.00 C ATOM 845 NH1 ARG A 67 12.851 7.867 -6.325 1.00 0.00 N ATOM 846 NH2 ARG A 67 13.304 7.469 -8.539 1.00 0.00 N ATOM 0 H ARG A 67 11.133 2.158 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 67 10.548 4.305 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.793 6.110 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.341 5.384 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.312 3.931 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.017 5.624 -5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.577 5.761 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.598 4.159 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 67 13.479 5.094 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.724 7.525 -5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.759 8.863 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.526 6.820 -9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.211 8.466 -8.734 1.00 0.00 H new ATOM 860 N LEU A 68 8.489 4.907 -3.802 1.00 0.00 N ATOM 861 CA LEU A 68 7.142 4.840 -4.358 1.00 0.00 C ATOM 862 C LEU A 68 7.040 5.667 -5.638 1.00 0.00 C ATOM 863 O LEU A 68 7.909 6.489 -5.929 1.00 0.00 O ATOM 864 CB LEU A 68 6.121 5.334 -3.330 1.00 0.00 C ATOM 865 CG LEU A 68 5.333 4.232 -2.616 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.363 3.562 -3.576 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.281 3.207 -2.011 1.00 0.00 C ATOM 0 H LEU A 68 8.752 5.825 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 68 6.925 3.800 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.642 5.930 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.416 5.997 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 68 4.758 4.687 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.812 2.782 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.663 4.303 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.917 3.120 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.705 2.431 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.883 2.757 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.936 3.698 -1.291 1.00 0.00 H new ATOM 879 N GLU A 69 5.972 5.442 -6.397 1.00 0.00 N ATOM 880 CA GLU A 69 5.755 6.166 -7.644 1.00 0.00 C ATOM 881 C GLU A 69 4.265 6.339 -7.919 1.00 0.00 C ATOM 882 O GLU A 69 3.434 5.620 -7.365 1.00 0.00 O ATOM 883 CB GLU A 69 6.417 5.426 -8.808 1.00 0.00 C ATOM 884 CG GLU A 69 6.345 6.177 -10.128 1.00 0.00 C ATOM 885 CD GLU A 69 7.170 5.521 -11.217 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.266 5.008 -10.904 1.00 0.00 O ATOM 887 OE2 GLU A 69 6.722 5.518 -12.383 1.00 0.00 O ATOM 0 H GLU A 69 5.244 4.764 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 69 6.206 7.154 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.463 5.241 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.940 4.453 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.306 6.238 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.693 7.199 -9.980 1.00 0.00 H new ATOM 894 N HIS A 70 3.932 7.298 -8.778 1.00 0.00 N ATOM 895 CA HIS A 70 2.541 7.562 -9.126 1.00 0.00 C ATOM 896 C HIS A 70 2.148 6.817 -10.397 1.00 0.00 C ATOM 897 O HIS A 70 1.067 6.232 -10.475 1.00 0.00 O ATOM 898 CB HIS A 70 2.316 9.064 -9.310 1.00 0.00 C ATOM 899 CG HIS A 70 1.900 9.765 -8.055 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.595 9.804 -7.612 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.626 10.457 -7.143 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.535 10.489 -6.483 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.753 10.896 -6.178 1.00 0.00 N ATOM 0 H HIS A 70 4.606 7.904 -9.245 1.00 0.00 H new ATOM 0 HA HIS A 70 1.914 7.205 -8.309 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.234 9.518 -9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.553 9.218 -10.073 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.200 9.372 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.692 10.631 -7.170 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.358 10.683 -5.908 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.005 11.448 -5.358 1.00 0.00 H new ATOM 912 N GLY A 71 3.029 6.845 -11.390 1.00 0.00 N ATOM 913 CA GLY A 71 2.755 6.170 -12.644 1.00 0.00 C ATOM 914 C GLY A 71 3.413 6.853 -13.826 1.00 0.00 C ATOM 915 O GLY A 71 4.536 6.518 -14.200 1.00 0.00 O ATOM 0 H GLY A 71 3.929 7.324 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.105 5.140 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.678 6.131 -12.804 1.00 0.00 H new ATOM 919 N ASP A 72 2.711 7.816 -14.416 1.00 0.00 N ATOM 920 CA ASP A 72 3.233 8.549 -15.562 1.00 0.00 C ATOM 921 C ASP A 72 3.759 9.917 -15.138 1.00 0.00 C ATOM 922 O ASP A 72 3.679 10.885 -15.895 1.00 0.00 O ATOM 923 CB ASP A 72 2.146 8.713 -16.625 1.00 0.00 C ATOM 924 CG ASP A 72 1.662 7.383 -17.168 1.00 0.00 C ATOM 925 OD1 ASP A 72 1.439 6.457 -16.358 1.00 0.00 O ATOM 926 OD2 ASP A 72 1.504 7.265 -18.401 1.00 0.00 O ATOM 0 H ASP A 72 1.779 8.106 -14.119 1.00 0.00 H new ATOM 0 HA ASP A 72 4.060 7.977 -15.984 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.303 9.256 -16.198 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.532 9.318 -17.445 1.00 0.00 H new ATOM 931 N GLY A 73 4.297 9.989 -13.925 1.00 0.00 N ATOM 932 CA GLY A 73 4.828 11.242 -13.423 1.00 0.00 C ATOM 933 C GLY A 73 4.392 11.525 -11.998 1.00 0.00 C ATOM 934 O GLY A 73 3.228 11.843 -11.750 1.00 0.00 O ATOM 0 H GLY A 73 4.375 9.202 -13.281 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.917 11.216 -13.469 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.501 12.057 -14.069 1.00 0.00 H new ATOM 938 N GLY A 74 5.327 11.410 -11.061 1.00 0.00 N ATOM 939 CA GLY A 74 5.013 11.659 -9.666 1.00 0.00 C ATOM 940 C GLY A 74 5.673 10.659 -8.738 1.00 0.00 C ATOM 941 O GLY A 74 5.145 9.572 -8.509 1.00 0.00 O ATOM 0 H GLY A 74 6.296 11.149 -11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.334 12.666 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.933 11.621 -9.527 1.00 0.00 H new ATOM 945 N ILE A 75 6.832 11.027 -8.204 1.00 0.00 N ATOM 946 CA ILE A 75 7.565 10.154 -7.297 1.00 0.00 C ATOM 947 C ILE A 75 7.209 10.448 -5.843 1.00 0.00 C ATOM 948 O ILE A 75 6.786 11.555 -5.506 1.00 0.00 O ATOM 949 CB ILE A 75 9.086 10.293 -7.495 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.491 9.809 -8.889 1.00 0.00 C ATOM 951 CG2 ILE A 75 9.843 9.515 -6.424 1.00 0.00 C ATOM 952 CD1 ILE A 75 8.628 8.694 -9.447 1.00 0.00 C ATOM 0 H ILE A 75 7.284 11.924 -8.384 1.00 0.00 H new ATOM 0 HA ILE A 75 7.274 9.130 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 75 9.347 11.347 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.458 10.654 -9.576 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.525 9.467 -8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.916 9.627 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.580 9.901 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.576 8.460 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.989 8.416 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.679 7.829 -8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.595 9.035 -9.520 1.00 0.00 H new ATOM 964 N LEU A 76 7.386 9.447 -4.987 1.00 0.00 N ATOM 965 CA LEU A 76 7.085 9.593 -3.568 1.00 0.00 C ATOM 966 C LEU A 76 8.219 9.037 -2.712 1.00 0.00 C ATOM 967 O LEU A 76 8.529 7.846 -2.770 1.00 0.00 O ATOM 968 CB LEU A 76 5.776 8.878 -3.227 1.00 0.00 C ATOM 969 CG LEU A 76 4.615 9.164 -4.180 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.670 8.236 -5.383 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.285 9.023 -3.455 1.00 0.00 C ATOM 0 H LEU A 76 7.736 8.526 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 76 6.978 10.656 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.959 7.804 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.477 9.162 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 76 4.706 10.190 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.836 8.455 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.609 8.386 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.605 7.201 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.469 9.230 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.186 8.008 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.246 9.730 -2.626 1.00 0.00 H new ATOM 983 N ASP A 77 8.834 9.908 -1.919 1.00 0.00 N ATOM 984 CA ASP A 77 9.933 9.506 -1.049 1.00 0.00 C ATOM 985 C ASP A 77 9.425 9.188 0.353 1.00 0.00 C ATOM 986 O ASP A 77 8.220 9.200 0.603 1.00 0.00 O ATOM 987 CB ASP A 77 10.989 10.611 -0.983 1.00 0.00 C ATOM 988 CG ASP A 77 10.429 11.916 -0.451 1.00 0.00 C ATOM 989 OD1 ASP A 77 9.907 11.918 0.683 1.00 0.00 O ATOM 990 OD2 ASP A 77 10.514 12.934 -1.169 1.00 0.00 O ATOM 0 H ASP A 77 8.590 10.897 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 77 10.385 8.606 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.812 10.286 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.402 10.775 -1.978 1.00 0.00 H new ATOM 995 N LEU A 78 10.350 8.901 1.263 1.00 0.00 N ATOM 996 CA LEU A 78 9.992 8.579 2.639 1.00 0.00 C ATOM 997 C LEU A 78 10.243 9.771 3.559 1.00 0.00 C ATOM 998 O LEU A 78 10.787 9.621 4.653 1.00 0.00 O ATOM 999 CB LEU A 78 10.786 7.364 3.125 1.00 0.00 C ATOM 1000 CG LEU A 78 11.008 6.272 2.075 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.376 6.425 1.427 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.865 4.893 2.701 1.00 0.00 C ATOM 0 H LEU A 78 11.352 8.885 1.072 1.00 0.00 H new ATOM 0 HA LEU A 78 8.929 8.341 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.757 7.704 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.266 6.927 3.977 1.00 0.00 H new ATOM 0 HG LEU A 78 10.247 6.379 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.516 5.640 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.442 7.399 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.151 6.345 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.026 4.129 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.603 4.775 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.864 4.785 3.118 1.00 0.00 H new ATOM 1014 N ASP A 79 9.843 10.955 3.105 1.00 0.00 N ATOM 1015 CA ASP A 79 10.024 12.172 3.886 1.00 0.00 C ATOM 1016 C ASP A 79 9.005 13.235 3.485 1.00 0.00 C ATOM 1017 O ASP A 79 9.259 14.433 3.617 1.00 0.00 O ATOM 1018 CB ASP A 79 11.445 12.711 3.704 1.00 0.00 C ATOM 1019 CG ASP A 79 12.173 12.881 5.023 1.00 0.00 C ATOM 1020 OD1 ASP A 79 12.034 11.996 5.896 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.882 13.896 5.185 1.00 0.00 O ATOM 0 H ASP A 79 9.392 11.097 2.201 1.00 0.00 H new ATOM 0 HA ASP A 79 9.868 11.927 4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.009 12.031 3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.403 13.671 3.189 1.00 0.00 H new ATOM 1026 N ASP A 80 7.851 12.791 2.997 1.00 0.00 N ATOM 1027 CA ASP A 80 6.794 13.706 2.580 1.00 0.00 C ATOM 1028 C ASP A 80 5.429 13.212 3.051 1.00 0.00 C ATOM 1029 O ASP A 80 5.110 12.032 2.925 1.00 0.00 O ATOM 1030 CB ASP A 80 6.795 13.861 1.059 1.00 0.00 C ATOM 1031 CG ASP A 80 7.781 14.911 0.585 1.00 0.00 C ATOM 1032 OD1 ASP A 80 7.722 16.052 1.092 1.00 0.00 O ATOM 1033 OD2 ASP A 80 8.612 14.594 -0.291 1.00 0.00 O ATOM 0 H ASP A 80 7.624 11.803 2.881 1.00 0.00 H new ATOM 0 HA ASP A 80 6.987 14.676 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.039 12.903 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.793 14.129 0.723 1.00 0.00 H new ATOM 1038 N ILE A 81 4.631 14.121 3.598 1.00 0.00 N ATOM 1039 CA ILE A 81 3.306 13.778 4.093 1.00 0.00 C ATOM 1040 C ILE A 81 2.430 13.190 2.991 1.00 0.00 C ATOM 1041 O ILE A 81 2.683 13.389 1.803 1.00 0.00 O ATOM 1042 CB ILE A 81 2.621 15.011 4.710 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.368 15.422 5.971 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.158 14.729 5.026 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.305 14.373 7.059 1.00 0.00 C ATOM 0 H ILE A 81 4.881 15.104 3.710 1.00 0.00 H new ATOM 0 HA ILE A 81 3.433 13.019 4.865 1.00 0.00 H new ATOM 0 HB ILE A 81 2.649 15.826 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.411 15.618 5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.949 16.355 6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.702 15.618 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.632 14.463 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.091 13.904 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.855 14.722 7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.265 14.194 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.749 13.446 6.697 1.00 0.00 H new ATOM 1057 N LEU A 82 1.403 12.454 3.402 1.00 0.00 N ATOM 1058 CA LEU A 82 0.488 11.819 2.465 1.00 0.00 C ATOM 1059 C LEU A 82 -0.170 12.845 1.545 1.00 0.00 C ATOM 1060 O LEU A 82 -0.084 12.742 0.323 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.585 11.030 3.222 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.490 9.511 3.080 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.474 9.111 1.611 1.00 0.00 C ATOM 1064 CD2 LEU A 82 0.749 8.986 3.792 1.00 0.00 C ATOM 0 H LEU A 82 1.184 12.283 4.383 1.00 0.00 H new ATOM 0 HA LEU A 82 1.068 11.134 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.524 11.286 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.566 11.352 2.872 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.369 9.066 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.406 8.026 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.390 9.454 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.386 9.566 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.801 7.903 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.639 9.439 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.695 9.240 4.851 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.838 13.828 2.141 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.519 14.866 1.373 1.00 0.00 C ATOM 1078 C CYS A 83 -0.528 15.812 0.694 1.00 0.00 C ATOM 1079 O CYS A 83 -0.924 16.668 -0.098 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.455 15.663 2.284 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.711 14.661 3.112 1.00 0.00 S ATOM 0 H CYS A 83 -0.922 13.928 3.153 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.098 14.372 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.859 16.176 3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.951 16.432 1.693 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.801 13.505 2.524 1.00 0.00 H new ATOM 1087 N ASP A 84 0.756 15.668 1.009 1.00 0.00 N ATOM 1088 CA ASP A 84 1.782 16.524 0.425 1.00 0.00 C ATOM 1089 C ASP A 84 2.340 15.931 -0.866 1.00 0.00 C ATOM 1090 O ASP A 84 2.747 16.662 -1.768 1.00 0.00 O ATOM 1091 CB ASP A 84 2.919 16.749 1.425 1.00 0.00 C ATOM 1092 CG ASP A 84 3.813 17.909 1.034 1.00 0.00 C ATOM 1093 OD1 ASP A 84 3.326 19.060 1.038 1.00 0.00 O ATOM 1094 OD2 ASP A 84 4.999 17.668 0.724 1.00 0.00 O ATOM 0 H ASP A 84 1.109 14.969 1.663 1.00 0.00 H new ATOM 0 HA ASP A 84 1.315 17.479 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.498 16.935 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.518 15.841 1.500 1.00 0.00 H new ATOM 1099 N VAL A 85 2.363 14.602 -0.951 1.00 0.00 N ATOM 1100 CA VAL A 85 2.883 13.928 -2.137 1.00 0.00 C ATOM 1101 C VAL A 85 1.826 13.048 -2.801 1.00 0.00 C ATOM 1102 O VAL A 85 1.782 12.937 -4.026 1.00 0.00 O ATOM 1103 CB VAL A 85 4.117 13.065 -1.805 1.00 0.00 C ATOM 1104 CG1 VAL A 85 5.363 13.930 -1.709 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.900 12.283 -0.516 1.00 0.00 C ATOM 0 H VAL A 85 2.030 13.975 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 85 3.173 14.717 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 85 4.260 12.348 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.224 13.304 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.530 14.434 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.230 14.674 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.784 11.682 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.726 12.977 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.035 11.630 -0.628 1.00 0.00 H new ATOM 1115 N ALA A 86 0.982 12.421 -1.991 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.066 11.551 -2.509 1.00 0.00 C ATOM 1117 C ALA A 86 -1.419 12.253 -2.511 1.00 0.00 C ATOM 1118 O ALA A 86 -1.551 13.369 -2.007 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.137 10.269 -1.694 1.00 0.00 C ATOM 0 H ALA A 86 1.003 12.499 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 86 0.183 11.302 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.924 9.628 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.819 9.748 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.357 10.511 -0.654 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.424 11.590 -3.077 1.00 0.00 N ATOM 1126 CA ASP A 87 -3.769 12.147 -3.141 1.00 0.00 C ATOM 1127 C ASP A 87 -4.812 11.081 -2.815 1.00 0.00 C ATOM 1128 O ASP A 87 -4.600 9.894 -3.066 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.034 12.735 -4.529 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.418 14.202 -4.472 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.541 14.504 -4.017 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -3.595 15.047 -4.883 1.00 0.00 O ATOM 0 H ASP A 87 -2.331 10.666 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.845 12.942 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.143 12.619 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.832 12.172 -5.013 1.00 0.00 H new ATOM 1137 N ASP A 88 -5.938 11.509 -2.254 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.012 10.590 -1.892 1.00 0.00 C ATOM 1139 C ASP A 88 -7.504 9.822 -3.115 1.00 0.00 C ATOM 1140 O ASP A 88 -7.755 10.405 -4.168 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.172 11.352 -1.253 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.637 12.519 -2.102 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -7.884 13.509 -2.215 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.755 12.443 -2.654 1.00 0.00 O ATOM 0 H ASP A 88 -6.131 12.487 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.617 9.875 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.006 10.669 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.866 11.719 -0.273 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.640 8.507 -2.964 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.103 7.656 -4.056 1.00 0.00 C ATOM 1151 C LYS A 89 -7.158 7.750 -5.253 1.00 0.00 C ATOM 1152 O LYS A 89 -7.559 8.150 -6.346 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.526 8.049 -4.466 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.581 7.039 -4.043 1.00 0.00 C ATOM 1155 CD LYS A 89 -11.388 7.533 -2.849 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.880 7.527 -3.141 1.00 0.00 C ATOM 1157 NZ LYS A 89 -13.393 8.891 -3.444 1.00 0.00 N ATOM 0 H LYS A 89 -7.437 8.009 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.111 6.623 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.767 9.018 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.563 8.169 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.252 6.842 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.100 6.094 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.183 6.902 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.072 8.543 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.082 6.868 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.416 7.120 -2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.414 8.843 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.224 9.514 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.900 9.270 -4.278 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.900 7.380 -5.037 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.900 7.424 -6.098 1.00 0.00 C ATOM 1173 C ASP A 90 -4.000 6.194 -6.054 1.00 0.00 C ATOM 1174 O ASP A 90 -3.531 5.793 -4.989 1.00 0.00 O ATOM 1175 CB ASP A 90 -4.054 8.693 -5.976 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.105 8.870 -7.144 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.586 8.951 -8.293 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.879 8.925 -6.910 1.00 0.00 O ATOM 0 H ASP A 90 -5.549 7.047 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.423 7.433 -7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.712 9.560 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.482 8.657 -5.049 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.757 5.601 -7.219 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.909 4.419 -7.314 1.00 0.00 C ATOM 1185 C ARG A 91 -1.435 4.812 -7.347 1.00 0.00 C ATOM 1186 O ARG A 91 -1.084 5.897 -7.811 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.262 3.609 -8.563 1.00 0.00 C ATOM 1188 CG ARG A 91 -3.293 4.437 -9.839 1.00 0.00 C ATOM 1189 CD ARG A 91 -4.669 4.422 -10.483 1.00 0.00 C ATOM 1190 NE ARG A 91 -4.621 4.820 -11.888 1.00 0.00 N ATOM 1191 CZ ARG A 91 -5.587 4.562 -12.765 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -6.678 3.906 -12.389 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -5.464 4.961 -14.025 1.00 0.00 N ATOM 0 H ARG A 91 -4.136 5.920 -8.111 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.084 3.804 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.537 2.804 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.236 3.142 -8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.008 5.465 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.557 4.049 -10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.095 3.422 -10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.331 5.095 -9.938 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.798 5.326 -12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.779 3.597 -11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.415 3.711 -13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.628 5.466 -14.321 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.205 4.763 -14.697 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.578 3.925 -6.851 1.00 0.00 N ATOM 1208 CA LEU A 92 0.857 4.185 -6.823 1.00 0.00 C ATOM 1209 C LEU A 92 1.650 2.898 -7.027 1.00 0.00 C ATOM 1210 O LEU A 92 1.198 1.812 -6.664 1.00 0.00 O ATOM 1211 CB LEU A 92 1.252 4.830 -5.492 1.00 0.00 C ATOM 1212 CG LEU A 92 0.493 6.112 -5.141 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.657 6.440 -3.666 1.00 0.00 C ATOM 1214 CD2 LEU A 92 0.975 7.269 -6.004 1.00 0.00 C ATOM 0 H LEU A 92 -0.852 3.022 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 92 1.091 4.869 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.096 4.104 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.319 5.053 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.567 5.953 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.111 7.354 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.264 5.620 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.714 6.581 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.425 8.173 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.040 7.430 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.806 7.034 -7.055 1.00 0.00 H new ATOM 1226 N VAL A 93 2.840 3.030 -7.605 1.00 0.00 N ATOM 1227 CA VAL A 93 3.703 1.883 -7.852 1.00 0.00 C ATOM 1228 C VAL A 93 4.888 1.882 -6.893 1.00 0.00 C ATOM 1229 O VAL A 93 5.731 2.777 -6.932 1.00 0.00 O ATOM 1230 CB VAL A 93 4.227 1.873 -9.301 1.00 0.00 C ATOM 1231 CG1 VAL A 93 4.961 0.573 -9.596 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.086 2.084 -10.283 1.00 0.00 C ATOM 0 H VAL A 93 3.228 3.922 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 93 3.101 0.989 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 93 4.933 2.695 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.323 0.585 -10.624 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.805 0.469 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.281 -0.268 -9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.476 2.074 -11.301 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.354 1.285 -10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.610 3.044 -10.086 1.00 0.00 H new ATOM 1242 N ALA A 94 4.939 0.878 -6.023 1.00 0.00 N ATOM 1243 CA ALA A 94 6.014 0.771 -5.045 1.00 0.00 C ATOM 1244 C ALA A 94 7.138 -0.137 -5.537 1.00 0.00 C ATOM 1245 O ALA A 94 6.902 -1.279 -5.939 1.00 0.00 O ATOM 1246 CB ALA A 94 5.469 0.261 -3.720 1.00 0.00 C ATOM 0 H ALA A 94 4.249 0.128 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 94 6.432 1.767 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.282 0.185 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.714 0.953 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.020 -0.721 -3.865 1.00 0.00 H new ATOM 1252 N VAL A 95 8.363 0.378 -5.485 1.00 0.00 N ATOM 1253 CA VAL A 95 9.535 -0.378 -5.906 1.00 0.00 C ATOM 1254 C VAL A 95 10.243 -0.975 -4.695 1.00 0.00 C ATOM 1255 O VAL A 95 10.397 -0.312 -3.668 1.00 0.00 O ATOM 1256 CB VAL A 95 10.528 0.502 -6.687 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.640 -0.345 -7.286 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.805 1.292 -7.768 1.00 0.00 C ATOM 0 H VAL A 95 8.569 1.320 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 95 9.187 -1.175 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 95 10.980 1.210 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.331 0.296 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.176 -0.858 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.211 -1.081 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.523 1.908 -8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.322 0.603 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.051 1.932 -7.309 1.00 0.00 H new ATOM 1268 N PHE A 96 10.664 -2.228 -4.809 1.00 0.00 N ATOM 1269 CA PHE A 96 11.341 -2.896 -3.705 1.00 0.00 C ATOM 1270 C PHE A 96 11.992 -4.201 -4.144 1.00 0.00 C ATOM 1271 O PHE A 96 11.671 -4.749 -5.198 1.00 0.00 O ATOM 1272 CB PHE A 96 10.350 -3.162 -2.566 1.00 0.00 C ATOM 1273 CG PHE A 96 9.380 -4.287 -2.829 1.00 0.00 C ATOM 1274 CD1 PHE A 96 9.018 -4.634 -4.123 1.00 0.00 C ATOM 1275 CD2 PHE A 96 8.830 -4.997 -1.774 1.00 0.00 C ATOM 1276 CE1 PHE A 96 8.127 -5.665 -4.356 1.00 0.00 C ATOM 1277 CE2 PHE A 96 7.938 -6.028 -2.001 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.587 -6.362 -3.294 1.00 0.00 C ATOM 0 H PHE A 96 10.550 -2.798 -5.647 1.00 0.00 H new ATOM 0 HA PHE A 96 12.133 -2.234 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.911 -3.388 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.785 -2.250 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.437 -4.092 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.102 -4.741 -0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.854 -5.925 -5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.516 -6.571 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.891 -7.168 -3.474 1.00 0.00 H new ATOM 1288 N ASP A 97 12.904 -4.694 -3.314 1.00 0.00 N ATOM 1289 CA ASP A 97 13.606 -5.939 -3.588 1.00 0.00 C ATOM 1290 C ASP A 97 13.057 -7.055 -2.707 1.00 0.00 C ATOM 1291 O ASP A 97 12.486 -6.794 -1.649 1.00 0.00 O ATOM 1292 CB ASP A 97 15.106 -5.765 -3.341 1.00 0.00 C ATOM 1293 CG ASP A 97 15.887 -5.590 -4.628 1.00 0.00 C ATOM 1294 OD1 ASP A 97 16.187 -6.609 -5.284 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.200 -4.433 -4.979 1.00 0.00 O ATOM 0 H ASP A 97 13.175 -4.245 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 97 13.451 -6.206 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.268 -4.898 -2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.486 -6.634 -2.804 1.00 0.00 H new ATOM 1300 N GLU A 98 13.234 -8.296 -3.145 1.00 0.00 N ATOM 1301 CA GLU A 98 12.751 -9.444 -2.386 1.00 0.00 C ATOM 1302 C GLU A 98 13.552 -10.697 -2.721 1.00 0.00 C ATOM 1303 O GLU A 98 13.718 -11.043 -3.891 1.00 0.00 O ATOM 1304 CB GLU A 98 11.268 -9.683 -2.675 1.00 0.00 C ATOM 1305 CG GLU A 98 10.922 -9.653 -4.155 1.00 0.00 C ATOM 1306 CD GLU A 98 9.608 -10.344 -4.461 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.709 -10.322 -3.593 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.478 -10.909 -5.566 1.00 0.00 O ATOM 0 H GLU A 98 13.706 -8.533 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 98 12.880 -9.226 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.977 -10.649 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.679 -8.925 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.871 -8.617 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.721 -10.133 -4.721 1.00 0.00 H new ATOM 1315 N GLN A 99 14.042 -11.377 -1.689 1.00 0.00 N ATOM 1316 CA GLN A 99 14.820 -12.598 -1.888 1.00 0.00 C ATOM 1317 C GLN A 99 13.898 -13.810 -1.987 1.00 0.00 C ATOM 1318 O GLN A 99 13.899 -14.680 -1.118 1.00 0.00 O ATOM 1319 CB GLN A 99 15.834 -12.789 -0.756 1.00 0.00 C ATOM 1320 CG GLN A 99 16.534 -14.139 -0.774 1.00 0.00 C ATOM 1321 CD GLN A 99 17.919 -14.087 -0.162 1.00 0.00 C ATOM 1322 OE1 GLN A 99 18.674 -13.140 -0.384 1.00 0.00 O ATOM 1323 NE2 GLN A 99 18.262 -15.110 0.612 1.00 0.00 N ATOM 0 H GLN A 99 13.916 -11.107 -0.713 1.00 0.00 H new ATOM 0 HA GLN A 99 15.369 -12.502 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.585 -12.001 -0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.323 -12.669 0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.928 -14.865 -0.232 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.609 -14.491 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.604 -15.874 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.183 -15.132 1.050 1.00 0.00 H new ATOM 1332 N ASP A 100 13.111 -13.855 -3.055 1.00 0.00 N ATOM 1333 CA ASP A 100 12.182 -14.957 -3.275 1.00 0.00 C ATOM 1334 C ASP A 100 12.887 -16.140 -3.931 1.00 0.00 C ATOM 1335 O ASP A 100 12.772 -17.265 -3.401 1.00 0.00 O ATOM 1336 CB ASP A 100 11.010 -14.498 -4.146 1.00 0.00 C ATOM 1337 CG ASP A 100 9.793 -14.120 -3.326 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.949 -13.872 -2.111 1.00 0.00 O ATOM 1339 OD2 ASP A 100 8.684 -14.072 -3.898 1.00 0.00 O ATOM 1340 OXT ASP A 100 13.551 -15.931 -4.968 1.00 0.00 O ATOM 0 H ASP A 100 13.097 -13.141 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 100 11.801 -15.277 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.320 -13.643 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.743 -15.295 -4.841 1.00 0.00 H new