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 150:sc= -0.0761 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 152:sc= 0.419 (180deg=0.244) USER MOD Set 1.3: A 61 TYR OH : rot 165:sc= -1.23 USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 0.165 (180deg=-0.568) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -120:sc= -1.33 USER MOD Single : A 38 MET CE :methyl 174:sc= 0 (180deg=-0.0366) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 150:sc= -1.14 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0783 K(o=-0.078,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.226 USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= 0.375 (180deg=0.113) USER MOD Single : A 60 ASN : amide:sc= -2.05 K(o=-2.1,f=-5.9!) USER MOD Single : A 64 GLN : amide:sc=-4.15e-05 X(o=-4.1e-05,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.03) USER MOD Single : A 70 HIS : +bothHN:sc= 0.533 K(o=0.53,f=-4.6!) USER MOD Single : A 83 CYS SG : rot -34:sc= -0.0437 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N PHE A 18 -8.540 9.038 3.599 1.00 0.00 N ATOM 28 CA PHE A 18 -7.547 8.896 2.541 1.00 0.00 C ATOM 29 C PHE A 18 -7.509 7.461 2.027 1.00 0.00 C ATOM 30 O PHE A 18 -7.966 6.538 2.702 1.00 0.00 O ATOM 31 CB PHE A 18 -6.164 9.305 3.049 1.00 0.00 C ATOM 32 CG PHE A 18 -5.357 10.077 2.044 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.644 9.419 1.054 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.312 11.461 2.089 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.901 10.127 0.129 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.572 12.174 1.166 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.866 11.506 0.185 1.00 0.00 C ATOM 0 HA PHE A 18 -7.830 9.553 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.281 9.908 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.612 8.410 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.670 8.340 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.862 11.988 2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.349 9.603 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.546 13.253 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.287 12.062 -0.538 1.00 0.00 H new ATOM 47 N LYS A 19 -6.960 7.278 0.831 1.00 0.00 N ATOM 48 CA LYS A 19 -6.865 5.952 0.233 1.00 0.00 C ATOM 49 C LYS A 19 -5.906 5.957 -0.953 1.00 0.00 C ATOM 50 O LYS A 19 -6.110 6.683 -1.927 1.00 0.00 O ATOM 51 CB LYS A 19 -8.249 5.471 -0.213 1.00 0.00 C ATOM 52 CG LYS A 19 -8.757 4.274 0.574 1.00 0.00 C ATOM 53 CD LYS A 19 -8.446 2.967 -0.135 1.00 0.00 C ATOM 54 CE LYS A 19 -9.133 1.790 0.538 1.00 0.00 C ATOM 55 NZ LYS A 19 -9.413 0.686 -0.423 1.00 0.00 N ATOM 0 H LYS A 19 -6.575 8.029 0.258 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.476 5.267 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.960 6.291 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.211 5.211 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.302 4.269 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.834 4.363 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.767 3.031 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.368 2.804 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.504 1.417 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.067 2.124 0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.324 -0.229 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.378 0.787 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.732 0.728 -1.208 1.00 0.00 H new ATOM 69 N VAL A 20 -4.863 5.139 -0.866 1.00 0.00 N ATOM 70 CA VAL A 20 -3.875 5.046 -1.935 1.00 0.00 C ATOM 71 C VAL A 20 -3.584 3.592 -2.285 1.00 0.00 C ATOM 72 O VAL A 20 -3.545 2.728 -1.409 1.00 0.00 O ATOM 73 CB VAL A 20 -2.558 5.744 -1.550 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.709 7.254 -1.638 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.118 5.323 -0.155 1.00 0.00 C ATOM 0 H VAL A 20 -4.680 4.531 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.300 5.550 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.786 5.438 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.768 7.730 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.973 7.534 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.495 7.581 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.185 5.826 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.887 5.597 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.966 4.244 -0.132 1.00 0.00 H new ATOM 85 N THR A 21 -3.382 3.328 -3.571 1.00 0.00 N ATOM 86 CA THR A 21 -3.095 1.978 -4.037 1.00 0.00 C ATOM 87 C THR A 21 -1.617 1.825 -4.382 1.00 0.00 C ATOM 88 O THR A 21 -1.153 2.324 -5.406 1.00 0.00 O ATOM 89 CB THR A 21 -3.953 1.644 -5.258 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.329 1.801 -4.961 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.750 0.233 -5.766 1.00 0.00 C ATOM 0 H THR A 21 -3.412 4.032 -4.309 1.00 0.00 H new ATOM 0 HA THR A 21 -3.336 1.284 -3.232 1.00 0.00 H new ATOM 0 HB THR A 21 -3.634 2.340 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.862 1.584 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.389 0.063 -6.633 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.707 0.095 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.008 -0.477 -4.980 1.00 0.00 H new ATOM 99 N VAL A 22 -0.882 1.132 -3.519 1.00 0.00 N ATOM 100 CA VAL A 22 0.540 0.912 -3.730 1.00 0.00 C ATOM 101 C VAL A 22 0.794 -0.461 -4.338 1.00 0.00 C ATOM 102 O VAL A 22 0.740 -1.477 -3.645 1.00 0.00 O ATOM 103 CB VAL A 22 1.330 1.033 -2.414 1.00 0.00 C ATOM 104 CG1 VAL A 22 1.584 2.493 -2.073 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.601 0.332 -1.276 1.00 0.00 C ATOM 0 H VAL A 22 -1.251 0.713 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 22 0.882 1.683 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 22 2.293 0.541 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.143 2.557 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.159 2.959 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.632 3.012 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.179 0.432 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.380 0.786 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.481 -0.724 -1.517 1.00 0.00 H new ATOM 115 N CYS A 23 1.071 -0.486 -5.637 1.00 0.00 N ATOM 116 CA CYS A 23 1.332 -1.736 -6.337 1.00 0.00 C ATOM 117 C CYS A 23 2.757 -2.214 -6.081 1.00 0.00 C ATOM 118 O CYS A 23 3.708 -1.714 -6.680 1.00 0.00 O ATOM 119 CB CYS A 23 1.103 -1.562 -7.840 1.00 0.00 C ATOM 120 SG CYS A 23 1.206 -3.100 -8.784 1.00 0.00 S ATOM 0 H CYS A 23 1.120 0.346 -6.226 1.00 0.00 H new ATOM 0 HA CYS A 23 0.641 -2.488 -5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.121 -1.116 -7.998 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.839 -0.859 -8.230 1.00 0.00 H new ATOM 0 HG CYS A 23 0.997 -2.851 -10.043 1.00 0.00 H new ATOM 126 N PHE A 24 2.896 -3.189 -5.188 1.00 0.00 N ATOM 127 CA PHE A 24 4.204 -3.737 -4.854 1.00 0.00 C ATOM 128 C PHE A 24 4.652 -4.740 -5.911 1.00 0.00 C ATOM 129 O PHE A 24 4.219 -5.892 -5.910 1.00 0.00 O ATOM 130 CB PHE A 24 4.163 -4.407 -3.481 1.00 0.00 C ATOM 131 CG PHE A 24 4.409 -3.459 -2.343 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.552 -2.393 -2.115 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.498 -3.629 -1.504 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.776 -1.517 -1.070 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.727 -2.757 -0.457 1.00 0.00 C ATOM 136 CZ PHE A 24 4.865 -1.700 -0.239 1.00 0.00 C ATOM 0 H PHE A 24 2.119 -3.615 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 24 4.922 -2.917 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.190 -4.880 -3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.910 -5.200 -3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.700 -2.246 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.176 -4.453 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.101 -0.691 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.579 -2.902 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.042 -1.018 0.579 1.00 0.00 H new ATOM 146 N GLY A 25 5.520 -4.293 -6.815 1.00 0.00 N ATOM 147 CA GLY A 25 6.008 -5.165 -7.868 1.00 0.00 C ATOM 148 C GLY A 25 4.900 -5.625 -8.794 1.00 0.00 C ATOM 149 O GLY A 25 4.734 -5.091 -9.891 1.00 0.00 O ATOM 0 H GLY A 25 5.893 -3.344 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.768 -4.641 -8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.490 -6.035 -7.422 1.00 0.00 H new ATOM 153 N ARG A 26 4.135 -6.616 -8.349 1.00 0.00 N ATOM 154 CA ARG A 26 3.031 -7.149 -9.139 1.00 0.00 C ATOM 155 C ARG A 26 1.826 -7.446 -8.253 1.00 0.00 C ATOM 156 O ARG A 26 1.055 -8.366 -8.524 1.00 0.00 O ATOM 157 CB ARG A 26 3.467 -8.418 -9.872 1.00 0.00 C ATOM 158 CG ARG A 26 4.237 -8.147 -11.155 1.00 0.00 C ATOM 159 CD ARG A 26 3.342 -7.545 -12.226 1.00 0.00 C ATOM 160 NE ARG A 26 4.054 -6.576 -13.055 1.00 0.00 N ATOM 161 CZ ARG A 26 4.979 -6.907 -13.954 1.00 0.00 C ATOM 162 NH1 ARG A 26 5.307 -8.180 -14.143 1.00 0.00 N ATOM 163 NH2 ARG A 26 5.576 -5.963 -14.669 1.00 0.00 N ATOM 0 H ARG A 26 4.260 -7.067 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 26 2.743 -6.396 -9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.087 -9.017 -9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.584 -9.013 -10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.064 -7.469 -10.947 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.672 -9.076 -11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.947 -8.341 -12.857 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.488 -7.059 -11.754 1.00 0.00 H new ATOM 0 HE ARG A 26 3.830 -5.588 -12.939 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.850 -8.911 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.016 -8.427 -14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.327 -4.984 -14.530 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.285 -6.216 -15.358 1.00 0.00 H new ATOM 177 N THR A 27 1.675 -6.662 -7.190 1.00 0.00 N ATOM 178 CA THR A 27 0.566 -6.839 -6.258 1.00 0.00 C ATOM 179 C THR A 27 0.024 -5.490 -5.795 1.00 0.00 C ATOM 180 O THR A 27 0.758 -4.672 -5.239 1.00 0.00 O ATOM 181 CB THR A 27 1.017 -7.663 -5.050 1.00 0.00 C ATOM 182 OG1 THR A 27 1.508 -8.928 -5.462 1.00 0.00 O ATOM 183 CG2 THR A 27 -0.085 -7.905 -4.042 1.00 0.00 C ATOM 0 H THR A 27 2.307 -5.897 -6.952 1.00 0.00 H new ATOM 0 HA THR A 27 -0.232 -7.372 -6.776 1.00 0.00 H new ATOM 0 HB THR A 27 1.798 -7.071 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.793 -9.440 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.304 -8.495 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.452 -6.949 -3.667 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.903 -8.445 -4.519 1.00 0.00 H new ATOM 191 N ARG A 28 -1.264 -5.263 -6.027 1.00 0.00 N ATOM 192 CA ARG A 28 -1.906 -4.014 -5.632 1.00 0.00 C ATOM 193 C ARG A 28 -2.336 -4.064 -4.170 1.00 0.00 C ATOM 194 O ARG A 28 -3.095 -4.945 -3.765 1.00 0.00 O ATOM 195 CB ARG A 28 -3.119 -3.736 -6.522 1.00 0.00 C ATOM 196 CG ARG A 28 -2.812 -3.814 -8.009 1.00 0.00 C ATOM 197 CD ARG A 28 -3.814 -4.692 -8.745 1.00 0.00 C ATOM 198 NE ARG A 28 -4.337 -4.039 -9.943 1.00 0.00 N ATOM 199 CZ ARG A 28 -5.235 -3.056 -9.919 1.00 0.00 C ATOM 200 NH1 ARG A 28 -5.710 -2.608 -8.763 1.00 0.00 N ATOM 201 NH2 ARG A 28 -5.657 -2.516 -11.054 1.00 0.00 N ATOM 0 H ARG A 28 -1.885 -5.928 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.182 -3.208 -5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.906 -4.452 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.509 -2.745 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.824 -2.811 -8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.807 -4.210 -8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.337 -5.632 -9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.639 -4.939 -8.077 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.994 -4.354 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.387 -3.017 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.398 -1.855 -8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.294 -2.854 -11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.345 -1.763 -11.036 1.00 0.00 H new ATOM 215 N VAL A 29 -1.846 -3.114 -3.380 1.00 0.00 N ATOM 216 CA VAL A 29 -2.179 -3.053 -1.964 1.00 0.00 C ATOM 217 C VAL A 29 -2.690 -1.671 -1.574 1.00 0.00 C ATOM 218 O VAL A 29 -1.922 -0.711 -1.503 1.00 0.00 O ATOM 219 CB VAL A 29 -0.962 -3.403 -1.085 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.375 -3.530 0.374 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.301 -4.682 -1.574 1.00 0.00 C ATOM 0 H VAL A 29 -1.217 -2.377 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.966 -3.788 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.236 -2.594 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.503 -3.777 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.798 -2.585 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.121 -4.318 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.556 -4.913 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.017 -5.502 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.033 -4.549 -2.603 1.00 0.00 H new ATOM 231 N ASP A 30 -3.992 -1.575 -1.321 1.00 0.00 N ATOM 232 CA ASP A 30 -4.604 -0.310 -0.935 1.00 0.00 C ATOM 233 C ASP A 30 -4.264 0.035 0.512 1.00 0.00 C ATOM 234 O ASP A 30 -4.101 -0.854 1.348 1.00 0.00 O ATOM 235 CB ASP A 30 -6.122 -0.378 -1.112 1.00 0.00 C ATOM 236 CG ASP A 30 -6.552 -0.063 -2.531 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.238 -0.863 -3.437 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.204 0.983 -2.737 1.00 0.00 O ATOM 0 H ASP A 30 -4.643 -2.359 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.206 0.472 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.473 -1.374 -0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.597 0.324 -0.427 1.00 0.00 H new ATOM 243 N VAL A 31 -4.156 1.327 0.800 1.00 0.00 N ATOM 244 CA VAL A 31 -3.832 1.782 2.147 1.00 0.00 C ATOM 245 C VAL A 31 -4.620 3.037 2.514 1.00 0.00 C ATOM 246 O VAL A 31 -4.295 4.137 2.065 1.00 0.00 O ATOM 247 CB VAL A 31 -2.327 2.076 2.293 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.973 2.338 3.749 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.501 0.928 1.734 1.00 0.00 C ATOM 0 H VAL A 31 -4.288 2.076 0.121 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.107 0.974 2.825 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.094 2.973 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.906 2.544 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.538 3.197 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.221 1.461 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.441 1.154 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.736 0.013 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.733 0.793 0.678 1.00 0.00 H new ATOM 259 N PRO A 32 -5.672 2.891 3.342 1.00 0.00 N ATOM 260 CA PRO A 32 -6.502 4.015 3.771 1.00 0.00 C ATOM 261 C PRO A 32 -5.924 4.729 4.988 1.00 0.00 C ATOM 262 O PRO A 32 -5.407 4.090 5.905 1.00 0.00 O ATOM 263 CB PRO A 32 -7.819 3.334 4.126 1.00 0.00 C ATOM 264 CG PRO A 32 -7.416 1.993 4.642 1.00 0.00 C ATOM 265 CD PRO A 32 -6.138 1.619 3.927 1.00 0.00 C ATOM 0 HA PRO A 32 -6.588 4.788 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.369 3.900 4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.468 3.246 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.261 2.024 5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.196 1.255 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.402 1.203 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.316 0.867 3.158 1.00 0.00 H new ATOM 273 N CYS A 33 -6.014 6.056 4.993 1.00 0.00 N ATOM 274 CA CYS A 33 -5.498 6.850 6.103 1.00 0.00 C ATOM 275 C CYS A 33 -6.631 7.566 6.832 1.00 0.00 C ATOM 276 O CYS A 33 -7.583 8.039 6.211 1.00 0.00 O ATOM 277 CB CYS A 33 -4.474 7.871 5.601 1.00 0.00 C ATOM 278 SG CYS A 33 -3.332 7.224 4.356 1.00 0.00 S ATOM 0 H CYS A 33 -6.438 6.602 4.243 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.009 6.172 6.802 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.005 8.726 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.898 8.239 6.450 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.112 7.323 4.793 1.00 0.00 H new ATOM 284 N GLY A 34 -6.521 7.639 8.154 1.00 0.00 N ATOM 285 CA GLY A 34 -7.541 8.296 8.950 1.00 0.00 C ATOM 286 C GLY A 34 -7.647 9.779 8.658 1.00 0.00 C ATOM 287 O GLY A 34 -8.738 10.295 8.416 1.00 0.00 O ATOM 0 H GLY A 34 -5.743 7.254 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.505 7.823 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.319 8.153 10.007 1.00 0.00 H new ATOM 291 N ASP A 35 -6.510 10.468 8.682 1.00 0.00 N ATOM 292 CA ASP A 35 -6.483 11.903 8.421 1.00 0.00 C ATOM 293 C ASP A 35 -5.760 12.210 7.114 1.00 0.00 C ATOM 294 O ASP A 35 -6.056 13.202 6.447 1.00 0.00 O ATOM 295 CB ASP A 35 -5.804 12.640 9.577 1.00 0.00 C ATOM 296 CG ASP A 35 -6.518 12.427 10.898 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.766 12.428 10.904 1.00 0.00 O ATOM 298 OD2 ASP A 35 -5.828 12.258 11.925 1.00 0.00 O ATOM 0 H ASP A 35 -5.598 10.057 8.879 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.513 12.247 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.773 12.299 9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.769 13.706 9.354 1.00 0.00 H new ATOM 303 N GLY A 36 -4.807 11.356 6.754 1.00 0.00 N ATOM 304 CA GLY A 36 -4.056 11.556 5.529 1.00 0.00 C ATOM 305 C GLY A 36 -2.790 12.364 5.749 1.00 0.00 C ATOM 306 O GLY A 36 -2.208 12.886 4.798 1.00 0.00 O ATOM 0 H GLY A 36 -4.542 10.529 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.795 10.587 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.686 12.065 4.799 1.00 0.00 H new ATOM 310 N ARG A 37 -2.362 12.465 7.005 1.00 0.00 N ATOM 311 CA ARG A 37 -1.159 13.214 7.344 1.00 0.00 C ATOM 312 C ARG A 37 -0.041 12.271 7.778 1.00 0.00 C ATOM 313 O ARG A 37 0.795 12.624 8.612 1.00 0.00 O ATOM 314 CB ARG A 37 -1.455 14.222 8.457 1.00 0.00 C ATOM 315 CG ARG A 37 -2.039 15.531 7.952 1.00 0.00 C ATOM 316 CD ARG A 37 -3.020 16.126 8.950 1.00 0.00 C ATOM 317 NE ARG A 37 -4.212 16.661 8.295 1.00 0.00 N ATOM 318 CZ ARG A 37 -5.041 17.534 8.861 1.00 0.00 C ATOM 319 NH1 ARG A 37 -4.812 17.975 10.092 1.00 0.00 N ATOM 320 NH2 ARG A 37 -6.101 17.969 8.195 1.00 0.00 N ATOM 0 H ARG A 37 -2.831 12.037 7.803 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.833 13.754 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.150 13.773 9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.534 14.431 9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.234 16.241 7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.544 15.362 7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.314 15.361 9.669 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.528 16.920 9.512 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.421 16.346 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.997 17.645 10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.451 18.644 10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.281 17.634 7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.737 18.638 8.629 1.00 0.00 H new ATOM 334 N MET A 38 -0.033 11.072 7.207 1.00 0.00 N ATOM 335 CA MET A 38 0.981 10.076 7.533 1.00 0.00 C ATOM 336 C MET A 38 2.145 10.147 6.553 1.00 0.00 C ATOM 337 O MET A 38 1.951 10.096 5.340 1.00 0.00 O ATOM 338 CB MET A 38 0.375 8.671 7.510 1.00 0.00 C ATOM 339 CG MET A 38 1.057 7.696 8.456 1.00 0.00 C ATOM 340 SD MET A 38 -0.109 6.597 9.282 1.00 0.00 S ATOM 341 CE MET A 38 -0.797 5.718 7.881 1.00 0.00 C ATOM 0 H MET A 38 -0.718 10.766 6.516 1.00 0.00 H new ATOM 0 HA MET A 38 1.353 10.290 8.535 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.682 8.736 7.769 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.430 8.278 6.495 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.779 7.100 7.898 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.617 8.255 9.206 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.457 4.927 8.236 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.363 6.411 7.259 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.010 5.280 7.294 1.00 0.00 H new ATOM 351 N LYS A 39 3.356 10.260 7.086 1.00 0.00 N ATOM 352 CA LYS A 39 4.547 10.333 6.251 1.00 0.00 C ATOM 353 C LYS A 39 4.654 9.099 5.360 1.00 0.00 C ATOM 354 O LYS A 39 4.288 7.993 5.763 1.00 0.00 O ATOM 355 CB LYS A 39 5.798 10.460 7.122 1.00 0.00 C ATOM 356 CG LYS A 39 6.279 11.892 7.295 1.00 0.00 C ATOM 357 CD LYS A 39 7.743 11.942 7.704 1.00 0.00 C ATOM 358 CE LYS A 39 7.975 12.940 8.828 1.00 0.00 C ATOM 359 NZ LYS A 39 9.342 13.532 8.772 1.00 0.00 N ATOM 0 H LYS A 39 3.538 10.303 8.089 1.00 0.00 H new ATOM 0 HA LYS A 39 4.467 11.215 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.591 10.034 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.599 9.868 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.142 12.438 6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.672 12.392 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.066 10.951 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.353 12.214 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.232 13.735 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.833 12.445 9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.460 14.207 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.051 12.776 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.469 14.027 7.866 1.00 0.00 H new ATOM 373 N VAL A 40 5.159 9.291 4.144 1.00 0.00 N ATOM 374 CA VAL A 40 5.314 8.189 3.202 1.00 0.00 C ATOM 375 C VAL A 40 5.978 6.991 3.873 1.00 0.00 C ATOM 376 O VAL A 40 5.533 5.856 3.717 1.00 0.00 O ATOM 377 CB VAL A 40 6.151 8.603 1.976 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.215 7.470 0.961 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.586 9.866 1.340 1.00 0.00 C ATOM 0 H VAL A 40 5.467 10.197 3.790 1.00 0.00 H new ATOM 0 HA VAL A 40 4.313 7.915 2.869 1.00 0.00 H new ATOM 0 HB VAL A 40 7.166 8.816 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.810 7.783 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.674 6.595 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.207 7.220 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.192 10.141 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.560 9.685 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.602 10.678 2.067 1.00 0.00 H new ATOM 389 N PHE A 41 7.041 7.259 4.625 1.00 0.00 N ATOM 390 CA PHE A 41 7.773 6.208 5.324 1.00 0.00 C ATOM 391 C PHE A 41 6.828 5.316 6.123 1.00 0.00 C ATOM 392 O PHE A 41 7.013 4.099 6.185 1.00 0.00 O ATOM 393 CB PHE A 41 8.820 6.825 6.252 1.00 0.00 C ATOM 394 CG PHE A 41 9.647 5.811 6.990 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.814 5.313 6.435 1.00 0.00 C ATOM 396 CD2 PHE A 41 9.254 5.354 8.238 1.00 0.00 C ATOM 397 CE1 PHE A 41 11.575 4.378 7.111 1.00 0.00 C ATOM 398 CE2 PHE A 41 10.011 4.421 8.919 1.00 0.00 C ATOM 399 CZ PHE A 41 11.174 3.933 8.355 1.00 0.00 C ATOM 0 H PHE A 41 7.415 8.197 4.766 1.00 0.00 H new ATOM 0 HA PHE A 41 8.273 5.591 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.482 7.463 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.318 7.467 6.976 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.133 5.659 5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.345 5.732 8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.482 3.996 6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.694 4.073 9.891 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.769 3.205 8.886 1.00 0.00 H new ATOM 409 N SER A 42 5.809 5.923 6.722 1.00 0.00 N ATOM 410 CA SER A 42 4.837 5.173 7.503 1.00 0.00 C ATOM 411 C SER A 42 3.917 4.383 6.581 1.00 0.00 C ATOM 412 O SER A 42 3.467 3.287 6.921 1.00 0.00 O ATOM 413 CB SER A 42 4.017 6.116 8.384 1.00 0.00 C ATOM 414 OG SER A 42 2.867 5.466 8.899 1.00 0.00 O ATOM 0 H SER A 42 5.637 6.927 6.681 1.00 0.00 H new ATOM 0 HA SER A 42 5.374 4.476 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.633 6.477 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.716 6.989 7.805 1.00 0.00 H new ATOM 0 HG SER A 42 2.636 5.852 9.770 1.00 0.00 H new ATOM 420 N LEU A 43 3.647 4.947 5.407 1.00 0.00 N ATOM 421 CA LEU A 43 2.787 4.293 4.429 1.00 0.00 C ATOM 422 C LEU A 43 3.499 3.102 3.797 1.00 0.00 C ATOM 423 O LEU A 43 2.886 2.064 3.542 1.00 0.00 O ATOM 424 CB LEU A 43 2.367 5.287 3.344 1.00 0.00 C ATOM 425 CG LEU A 43 1.135 4.881 2.534 1.00 0.00 C ATOM 426 CD1 LEU A 43 1.418 3.629 1.719 1.00 0.00 C ATOM 427 CD2 LEU A 43 -0.058 4.662 3.453 1.00 0.00 C ATOM 0 H LEU A 43 4.011 5.853 5.112 1.00 0.00 H new ATOM 0 HA LEU A 43 1.897 3.932 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.173 6.252 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.203 5.428 2.659 1.00 0.00 H new ATOM 0 HG LEU A 43 0.895 5.691 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.529 3.357 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.243 3.820 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.685 2.811 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.926 4.374 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.173 3.871 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.277 5.584 3.991 1.00 0.00 H new ATOM 439 N ILE A 44 4.796 3.256 3.551 1.00 0.00 N ATOM 440 CA ILE A 44 5.588 2.191 2.954 1.00 0.00 C ATOM 441 C ILE A 44 5.704 1.003 3.901 1.00 0.00 C ATOM 442 O ILE A 44 5.565 -0.147 3.489 1.00 0.00 O ATOM 443 CB ILE A 44 6.999 2.679 2.579 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.906 3.960 1.745 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.750 1.590 1.825 1.00 0.00 C ATOM 446 CD1 ILE A 44 8.171 4.295 0.982 1.00 0.00 C ATOM 0 H ILE A 44 5.319 4.107 3.756 1.00 0.00 H new ATOM 0 HA ILE A 44 5.071 1.881 2.046 1.00 0.00 H new ATOM 0 HB ILE A 44 7.553 2.903 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.083 3.861 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.661 4.793 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.746 1.948 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.835 0.704 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.207 1.337 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.022 5.215 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.994 4.429 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.408 3.482 0.295 1.00 0.00 H new ATOM 458 N GLN A 45 5.959 1.290 5.174 1.00 0.00 N ATOM 459 CA GLN A 45 6.090 0.241 6.176 1.00 0.00 C ATOM 460 C GLN A 45 4.772 -0.505 6.347 1.00 0.00 C ATOM 461 O GLN A 45 4.754 -1.728 6.497 1.00 0.00 O ATOM 462 CB GLN A 45 6.538 0.834 7.515 1.00 0.00 C ATOM 463 CG GLN A 45 8.033 0.717 7.759 1.00 0.00 C ATOM 464 CD GLN A 45 8.376 0.614 9.233 1.00 0.00 C ATOM 465 OE1 GLN A 45 8.141 1.546 10.003 1.00 0.00 O ATOM 466 NE2 GLN A 45 8.933 -0.522 9.634 1.00 0.00 N ATOM 0 H GLN A 45 6.078 2.237 5.534 1.00 0.00 H new ATOM 0 HA GLN A 45 6.847 -0.465 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.253 1.885 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.006 0.331 8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.415 -0.161 7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.536 1.585 7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.110 -1.268 8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.184 -0.649 10.614 1.00 0.00 H new ATOM 475 N GLN A 46 3.670 0.235 6.316 1.00 0.00 N ATOM 476 CA GLN A 46 2.348 -0.363 6.460 1.00 0.00 C ATOM 477 C GLN A 46 2.026 -1.236 5.252 1.00 0.00 C ATOM 478 O GLN A 46 1.409 -2.293 5.382 1.00 0.00 O ATOM 479 CB GLN A 46 1.284 0.726 6.620 1.00 0.00 C ATOM 480 CG GLN A 46 0.898 0.989 8.066 1.00 0.00 C ATOM 481 CD GLN A 46 0.071 -0.133 8.663 1.00 0.00 C ATOM 482 OE1 GLN A 46 -0.412 -1.011 7.947 1.00 0.00 O ATOM 483 NE2 GLN A 46 -0.097 -0.108 9.980 1.00 0.00 N ATOM 0 H GLN A 46 3.665 1.248 6.193 1.00 0.00 H new ATOM 0 HA GLN A 46 2.347 -0.987 7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.653 1.651 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.394 0.438 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.802 1.125 8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.335 1.921 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.322 0.639 10.533 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.645 -0.836 10.438 1.00 0.00 H new ATOM 492 N ALA A 47 2.453 -0.786 4.076 1.00 0.00 N ATOM 493 CA ALA A 47 2.217 -1.522 2.843 1.00 0.00 C ATOM 494 C ALA A 47 3.152 -2.721 2.734 1.00 0.00 C ATOM 495 O ALA A 47 2.762 -3.784 2.250 1.00 0.00 O ATOM 496 CB ALA A 47 2.388 -0.605 1.640 1.00 0.00 C ATOM 0 H ALA A 47 2.965 0.087 3.953 1.00 0.00 H new ATOM 0 HA ALA A 47 1.192 -1.893 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.209 -1.169 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.676 0.217 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.402 -0.206 1.628 1.00 0.00 H new ATOM 502 N VAL A 48 4.390 -2.546 3.188 1.00 0.00 N ATOM 503 CA VAL A 48 5.378 -3.616 3.141 1.00 0.00 C ATOM 504 C VAL A 48 4.907 -4.818 3.957 1.00 0.00 C ATOM 505 O VAL A 48 5.011 -5.964 3.516 1.00 0.00 O ATOM 506 CB VAL A 48 6.763 -3.128 3.649 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.024 -3.552 5.090 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.870 -3.632 2.735 1.00 0.00 C ATOM 0 H VAL A 48 4.731 -1.674 3.592 1.00 0.00 H new ATOM 0 HA VAL A 48 5.489 -3.920 2.100 1.00 0.00 H new ATOM 0 HB VAL A 48 6.754 -2.038 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.003 -3.190 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.256 -3.130 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.000 -4.640 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.834 -3.282 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.861 -4.722 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.709 -3.254 1.726 1.00 0.00 H new ATOM 518 N THR A 49 4.381 -4.544 5.147 1.00 0.00 N ATOM 519 CA THR A 49 3.885 -5.596 6.024 1.00 0.00 C ATOM 520 C THR A 49 2.633 -6.236 5.436 1.00 0.00 C ATOM 521 O THR A 49 2.511 -7.461 5.390 1.00 0.00 O ATOM 522 CB THR A 49 3.582 -5.029 7.413 1.00 0.00 C ATOM 523 OG1 THR A 49 4.741 -4.449 7.982 1.00 0.00 O ATOM 524 CG2 THR A 49 3.065 -6.068 8.387 1.00 0.00 C ATOM 0 H THR A 49 4.288 -3.601 5.525 1.00 0.00 H new ATOM 0 HA THR A 49 4.657 -6.361 6.115 1.00 0.00 H new ATOM 0 HB THR A 49 2.803 -4.283 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.883 -3.558 7.599 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.871 -5.598 9.351 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.142 -6.500 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.810 -6.854 8.510 1.00 0.00 H new ATOM 532 N ARG A 50 1.705 -5.398 4.983 1.00 0.00 N ATOM 533 CA ARG A 50 0.464 -5.881 4.392 1.00 0.00 C ATOM 534 C ARG A 50 0.746 -6.681 3.124 1.00 0.00 C ATOM 535 O ARG A 50 0.026 -7.628 2.804 1.00 0.00 O ATOM 536 CB ARG A 50 -0.467 -4.710 4.077 1.00 0.00 C ATOM 537 CG ARG A 50 -1.939 -5.039 4.256 1.00 0.00 C ATOM 538 CD ARG A 50 -2.314 -5.142 5.725 1.00 0.00 C ATOM 539 NE ARG A 50 -2.235 -6.515 6.217 1.00 0.00 N ATOM 540 CZ ARG A 50 -2.678 -6.901 7.410 1.00 0.00 C ATOM 541 NH1 ARG A 50 -3.233 -6.023 8.237 1.00 0.00 N ATOM 542 NH2 ARG A 50 -2.567 -8.170 7.780 1.00 0.00 N ATOM 0 H ARG A 50 1.790 -4.382 5.014 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.025 -6.536 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.210 -3.869 4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.297 -4.388 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.545 -4.269 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.166 -5.980 3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.651 -4.508 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.326 -4.764 5.868 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.815 -7.219 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.322 -5.046 7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.571 -6.326 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.142 -8.850 7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.907 -8.466 8.695 1.00 0.00 H new ATOM 556 N TYR A 51 1.795 -6.293 2.405 1.00 0.00 N ATOM 557 CA TYR A 51 2.168 -6.977 1.173 1.00 0.00 C ATOM 558 C TYR A 51 2.586 -8.418 1.462 1.00 0.00 C ATOM 559 O TYR A 51 2.008 -9.360 0.923 1.00 0.00 O ATOM 560 CB TYR A 51 3.307 -6.226 0.474 1.00 0.00 C ATOM 561 CG TYR A 51 4.022 -7.039 -0.584 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.414 -7.317 -1.804 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.300 -7.533 -0.361 1.00 0.00 C ATOM 564 CE1 TYR A 51 4.062 -8.063 -2.769 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.955 -8.280 -1.321 1.00 0.00 C ATOM 566 CZ TYR A 51 5.331 -8.543 -2.524 1.00 0.00 C ATOM 567 OH TYR A 51 5.978 -9.288 -3.483 1.00 0.00 O ATOM 0 H TYR A 51 2.400 -5.510 2.654 1.00 0.00 H new ATOM 0 HA TYR A 51 1.300 -6.995 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.905 -5.323 0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.031 -5.906 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.420 -6.944 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.791 -7.330 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.577 -8.269 -3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.950 -8.656 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 51 6.945 -9.151 -3.406 1.00 0.00 H new ATOM 577 N ARG A 52 3.593 -8.578 2.317 1.00 0.00 N ATOM 578 CA ARG A 52 4.087 -9.902 2.679 1.00 0.00 C ATOM 579 C ARG A 52 2.947 -10.799 3.153 1.00 0.00 C ATOM 580 O ARG A 52 2.875 -11.974 2.791 1.00 0.00 O ATOM 581 CB ARG A 52 5.151 -9.786 3.773 1.00 0.00 C ATOM 582 CG ARG A 52 5.726 -11.124 4.212 1.00 0.00 C ATOM 583 CD ARG A 52 6.095 -11.111 5.687 1.00 0.00 C ATOM 584 NE ARG A 52 7.075 -10.071 5.995 1.00 0.00 N ATOM 585 CZ ARG A 52 7.274 -9.578 7.215 1.00 0.00 C ATOM 586 NH1 ARG A 52 6.569 -10.029 8.246 1.00 0.00 N ATOM 587 NH2 ARG A 52 8.182 -8.631 7.406 1.00 0.00 N ATOM 0 H ARG A 52 4.082 -7.807 2.771 1.00 0.00 H new ATOM 0 HA ARG A 52 4.532 -10.353 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.962 -9.153 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.716 -9.286 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.999 -11.914 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.609 -11.356 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.197 -10.952 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.497 -12.084 5.969 1.00 0.00 H new ATOM 0 HE ARG A 52 7.639 -9.701 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.870 -10.758 8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.727 -9.646 9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.727 -8.281 6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.335 -8.252 8.341 1.00 0.00 H new ATOM 601 N LYS A 53 2.058 -10.236 3.963 1.00 0.00 N ATOM 602 CA LYS A 53 0.919 -10.984 4.487 1.00 0.00 C ATOM 603 C LYS A 53 -0.112 -11.241 3.392 1.00 0.00 C ATOM 604 O LYS A 53 -0.813 -12.253 3.413 1.00 0.00 O ATOM 605 CB LYS A 53 0.273 -10.224 5.646 1.00 0.00 C ATOM 606 CG LYS A 53 1.071 -10.290 6.937 1.00 0.00 C ATOM 607 CD LYS A 53 1.289 -11.728 7.386 1.00 0.00 C ATOM 608 CE LYS A 53 2.704 -12.197 7.094 1.00 0.00 C ATOM 609 NZ LYS A 53 2.913 -13.618 7.490 1.00 0.00 N ATOM 0 H LYS A 53 2.103 -9.265 4.272 1.00 0.00 H new ATOM 0 HA LYS A 53 1.282 -11.945 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.147 -9.180 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.724 -10.628 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.035 -9.802 6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.547 -9.739 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.091 -11.810 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.577 -12.380 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.912 -12.083 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.413 -11.564 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.435 -14.114 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.459 -13.655 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.991 -14.078 7.632 1.00 0.00 H new ATOM 623 N ALA A 54 -0.201 -10.319 2.438 1.00 0.00 N ATOM 624 CA ALA A 54 -1.148 -10.448 1.337 1.00 0.00 C ATOM 625 C ALA A 54 -0.713 -11.538 0.366 1.00 0.00 C ATOM 626 O ALA A 54 -1.544 -12.268 -0.177 1.00 0.00 O ATOM 627 CB ALA A 54 -1.296 -9.118 0.613 1.00 0.00 C ATOM 0 H ALA A 54 0.371 -9.475 2.406 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.115 -10.733 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.006 -9.227 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.660 -8.363 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.328 -8.810 0.217 1.00 0.00 H new ATOM 633 N VAL A 55 0.595 -11.644 0.149 1.00 0.00 N ATOM 634 CA VAL A 55 1.140 -12.646 -0.760 1.00 0.00 C ATOM 635 C VAL A 55 1.421 -13.964 -0.039 1.00 0.00 C ATOM 636 O VAL A 55 2.014 -14.879 -0.613 1.00 0.00 O ATOM 637 CB VAL A 55 2.436 -12.153 -1.430 1.00 0.00 C ATOM 638 CG1 VAL A 55 2.166 -10.916 -2.272 1.00 0.00 C ATOM 639 CG2 VAL A 55 3.507 -11.871 -0.386 1.00 0.00 C ATOM 0 H VAL A 55 1.296 -11.049 0.590 1.00 0.00 H new ATOM 0 HA VAL A 55 0.383 -12.814 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 55 2.802 -12.941 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.094 -10.583 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.437 -11.155 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.773 -10.122 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.414 -11.524 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.152 -11.103 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.723 -12.784 0.170 1.00 0.00 H new ATOM 649 N ALA A 56 0.994 -14.061 1.218 1.00 0.00 N ATOM 650 CA ALA A 56 1.203 -15.269 2.006 1.00 0.00 C ATOM 651 C ALA A 56 2.690 -15.565 2.185 1.00 0.00 C ATOM 652 O ALA A 56 3.117 -16.717 2.111 1.00 0.00 O ATOM 653 CB ALA A 56 0.503 -16.451 1.352 1.00 0.00 C ATOM 0 H ALA A 56 0.501 -13.316 1.711 1.00 0.00 H new ATOM 0 HA ALA A 56 0.774 -15.105 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.667 -17.347 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.566 -16.249 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.906 -16.604 0.351 1.00 0.00 H new ATOM 659 N LYS A 57 3.474 -14.519 2.428 1.00 0.00 N ATOM 660 CA LYS A 57 4.912 -14.671 2.621 1.00 0.00 C ATOM 661 C LYS A 57 5.272 -14.605 4.101 1.00 0.00 C ATOM 662 O LYS A 57 4.393 -14.538 4.961 1.00 0.00 O ATOM 663 CB LYS A 57 5.673 -13.596 1.851 1.00 0.00 C ATOM 664 CG LYS A 57 5.943 -13.968 0.404 1.00 0.00 C ATOM 665 CD LYS A 57 6.495 -12.789 -0.372 1.00 0.00 C ATOM 666 CE LYS A 57 6.160 -12.887 -1.852 1.00 0.00 C ATOM 667 NZ LYS A 57 6.609 -11.683 -2.604 1.00 0.00 N ATOM 0 H LYS A 57 3.138 -13.558 2.496 1.00 0.00 H new ATOM 0 HA LYS A 57 5.200 -15.650 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.103 -12.667 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.622 -13.403 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.651 -14.796 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.021 -14.314 -0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.087 -11.863 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.577 -12.744 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.632 -13.775 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.084 -13.010 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.810 -11.945 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.860 -10.961 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.471 -11.301 -2.165 1.00 0.00 H new ATOM 681 N ASP A 58 6.568 -14.621 4.389 1.00 0.00 N ATOM 682 CA ASP A 58 7.048 -14.562 5.763 1.00 0.00 C ATOM 683 C ASP A 58 8.343 -13.756 5.845 1.00 0.00 C ATOM 684 O ASP A 58 8.913 -13.381 4.822 1.00 0.00 O ATOM 685 CB ASP A 58 7.266 -15.978 6.302 1.00 0.00 C ATOM 686 CG ASP A 58 6.230 -16.366 7.340 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.173 -15.703 7.401 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.477 -17.331 8.092 1.00 0.00 O ATOM 0 H ASP A 58 7.306 -14.674 3.687 1.00 0.00 H new ATOM 0 HA ASP A 58 6.296 -14.064 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.232 -16.688 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.261 -16.048 6.742 1.00 0.00 H new ATOM 693 N PRO A 59 8.826 -13.471 7.069 1.00 0.00 N ATOM 694 CA PRO A 59 10.061 -12.702 7.265 1.00 0.00 C ATOM 695 C PRO A 59 11.311 -13.467 6.836 1.00 0.00 C ATOM 696 O PRO A 59 12.413 -12.919 6.835 1.00 0.00 O ATOM 697 CB PRO A 59 10.085 -12.445 8.774 1.00 0.00 C ATOM 698 CG PRO A 59 9.281 -13.551 9.361 1.00 0.00 C ATOM 699 CD PRO A 59 8.214 -13.869 8.350 1.00 0.00 C ATOM 0 HA PRO A 59 10.068 -11.795 6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.104 -12.449 9.160 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.656 -11.473 9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.904 -14.424 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.841 -13.251 10.312 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.955 -14.928 8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.297 -13.314 8.546 1.00 0.00 H new ATOM 707 N ASN A 60 11.138 -14.737 6.472 1.00 0.00 N ATOM 708 CA ASN A 60 12.258 -15.572 6.044 1.00 0.00 C ATOM 709 C ASN A 60 13.106 -14.864 4.989 1.00 0.00 C ATOM 710 O ASN A 60 14.333 -14.976 4.989 1.00 0.00 O ATOM 711 CB ASN A 60 11.746 -16.903 5.491 1.00 0.00 C ATOM 712 CG ASN A 60 10.646 -16.718 4.464 1.00 0.00 C ATOM 713 OD1 ASN A 60 9.461 -16.724 4.798 1.00 0.00 O ATOM 714 ND2 ASN A 60 11.034 -16.555 3.205 1.00 0.00 N ATOM 0 H ASN A 60 10.234 -15.209 6.465 1.00 0.00 H new ATOM 0 HA ASN A 60 12.885 -15.761 6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.574 -17.448 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.373 -17.515 6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.339 -16.428 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.027 -16.557 2.973 1.00 0.00 H new ATOM 721 N TYR A 61 12.449 -14.135 4.094 1.00 0.00 N ATOM 722 CA TYR A 61 13.151 -13.412 3.038 1.00 0.00 C ATOM 723 C TYR A 61 13.200 -11.917 3.344 1.00 0.00 C ATOM 724 O TYR A 61 12.298 -11.375 3.984 1.00 0.00 O ATOM 725 CB TYR A 61 12.483 -13.665 1.678 1.00 0.00 C ATOM 726 CG TYR A 61 11.276 -12.791 1.401 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.123 -12.897 2.170 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.293 -11.860 0.370 1.00 0.00 C ATOM 729 CE1 TYR A 61 9.022 -12.101 1.918 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.196 -11.061 0.113 1.00 0.00 C ATOM 731 CZ TYR A 61 9.064 -11.186 0.889 1.00 0.00 C ATOM 732 OH TYR A 61 7.968 -10.390 0.636 1.00 0.00 O ATOM 0 H TYR A 61 11.435 -14.029 4.078 1.00 0.00 H new ATOM 0 HA TYR A 61 14.175 -13.782 2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.219 -13.507 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.179 -14.710 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.087 -13.613 2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.178 -11.759 -0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.133 -12.196 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.225 -10.342 -0.692 1.00 0.00 H new ATOM 0 HH TYR A 61 8.231 -9.647 0.053 1.00 0.00 H new ATOM 742 N TRP A 62 14.259 -11.251 2.888 1.00 0.00 N ATOM 743 CA TRP A 62 14.417 -9.821 3.122 1.00 0.00 C ATOM 744 C TRP A 62 13.592 -9.015 2.128 1.00 0.00 C ATOM 745 O TRP A 62 13.320 -9.475 1.016 1.00 0.00 O ATOM 746 CB TRP A 62 15.897 -9.418 3.031 1.00 0.00 C ATOM 747 CG TRP A 62 16.306 -8.903 1.679 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.168 -9.546 0.486 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.905 -7.636 1.385 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.656 -8.766 -0.532 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.113 -7.587 -0.007 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.290 -6.540 2.160 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.687 -6.487 -0.637 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.858 -5.448 1.533 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.054 -5.429 0.146 1.00 0.00 C ATOM 0 H TRP A 62 15.017 -11.679 2.356 1.00 0.00 H new ATOM 0 HA TRP A 62 14.056 -9.603 4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.101 -8.651 3.778 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.514 -10.280 3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.737 -10.528 0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.675 -9.023 -1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.146 -6.546 3.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.837 -6.470 -1.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.156 -4.594 2.123 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.504 -4.561 -0.313 1.00 0.00 H new ATOM 766 N ILE A 63 13.211 -7.807 2.535 1.00 0.00 N ATOM 767 CA ILE A 63 12.429 -6.918 1.686 1.00 0.00 C ATOM 768 C ILE A 63 12.876 -5.470 1.859 1.00 0.00 C ATOM 769 O ILE A 63 12.660 -4.866 2.909 1.00 0.00 O ATOM 770 CB ILE A 63 10.920 -7.013 2.000 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.448 -8.465 1.918 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.119 -6.139 1.044 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.091 -8.693 2.547 1.00 0.00 C ATOM 0 H ILE A 63 13.433 -7.421 3.453 1.00 0.00 H new ATOM 0 HA ILE A 63 12.598 -7.236 0.657 1.00 0.00 H new ATOM 0 HB ILE A 63 10.756 -6.652 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.411 -8.768 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.180 -9.105 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.058 -6.219 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.437 -5.101 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.288 -6.470 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.818 -9.744 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.129 -8.421 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.347 -8.079 2.040 1.00 0.00 H new ATOM 785 N GLN A 64 13.496 -4.918 0.822 1.00 0.00 N ATOM 786 CA GLN A 64 13.968 -3.539 0.858 1.00 0.00 C ATOM 787 C GLN A 64 13.117 -2.655 -0.047 1.00 0.00 C ATOM 788 O GLN A 64 13.182 -2.761 -1.272 1.00 0.00 O ATOM 789 CB GLN A 64 15.434 -3.470 0.431 1.00 0.00 C ATOM 790 CG GLN A 64 16.292 -2.601 1.336 1.00 0.00 C ATOM 791 CD GLN A 64 15.932 -1.130 1.245 1.00 0.00 C ATOM 792 OE1 GLN A 64 15.936 -0.544 0.164 1.00 0.00 O ATOM 793 NE2 GLN A 64 15.619 -0.527 2.387 1.00 0.00 N ATOM 0 H GLN A 64 13.684 -5.405 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 64 13.880 -3.173 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.846 -4.479 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.489 -3.085 -0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.180 -2.935 2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.341 -2.732 1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.629 -1.053 3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.369 0.462 2.390 1.00 0.00 H new ATOM 802 N VAL A 65 12.318 -1.786 0.561 1.00 0.00 N ATOM 803 CA VAL A 65 11.452 -0.889 -0.195 1.00 0.00 C ATOM 804 C VAL A 65 12.215 0.338 -0.678 1.00 0.00 C ATOM 805 O VAL A 65 12.475 1.262 0.092 1.00 0.00 O ATOM 806 CB VAL A 65 10.235 -0.432 0.633 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.109 0.017 -0.285 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.761 -1.543 1.561 1.00 0.00 C ATOM 0 H VAL A 65 12.252 -1.683 1.574 1.00 0.00 H new ATOM 0 HA VAL A 65 11.097 -1.456 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 65 10.539 0.414 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.257 0.337 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.452 0.848 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.811 -0.812 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.901 -1.196 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.476 -2.414 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.566 -1.816 2.243 1.00 0.00 H new ATOM 818 N HIS A 66 12.570 0.340 -1.960 1.00 0.00 N ATOM 819 CA HIS A 66 13.302 1.456 -2.549 1.00 0.00 C ATOM 820 C HIS A 66 12.535 2.764 -2.380 1.00 0.00 C ATOM 821 O HIS A 66 12.864 3.582 -1.522 1.00 0.00 O ATOM 822 CB HIS A 66 13.567 1.192 -4.032 1.00 0.00 C ATOM 823 CG HIS A 66 14.549 0.089 -4.277 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.846 0.118 -3.809 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.418 -1.083 -4.944 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.470 -0.987 -4.178 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.626 -1.732 -4.867 1.00 0.00 N ATOM 0 H HIS A 66 12.363 -0.418 -2.610 1.00 0.00 H new ATOM 0 HA HIS A 66 14.255 1.548 -2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.626 0.945 -4.523 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.937 2.107 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.529 -1.440 -5.443 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.496 -1.238 -3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.837 -2.642 -5.276 1.00 0.00 H new ATOM 836 N ARG A 67 11.511 2.951 -3.205 1.00 0.00 N ATOM 837 CA ARG A 67 10.694 4.159 -3.147 1.00 0.00 C ATOM 838 C ARG A 67 9.341 3.937 -3.815 1.00 0.00 C ATOM 839 O ARG A 67 9.049 2.843 -4.302 1.00 0.00 O ATOM 840 CB ARG A 67 11.423 5.324 -3.820 1.00 0.00 C ATOM 841 CG ARG A 67 12.006 4.977 -5.180 1.00 0.00 C ATOM 842 CD ARG A 67 13.345 5.659 -5.403 1.00 0.00 C ATOM 843 NE ARG A 67 13.579 5.963 -6.813 1.00 0.00 N ATOM 844 CZ ARG A 67 14.474 6.849 -7.243 1.00 0.00 C ATOM 845 NH1 ARG A 67 15.222 7.521 -6.376 1.00 0.00 N ATOM 846 NH2 ARG A 67 14.622 7.066 -8.543 1.00 0.00 N ATOM 0 H ARG A 67 11.226 2.283 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 67 10.524 4.401 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.730 6.157 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.226 5.664 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.129 3.897 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.309 5.277 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.383 6.581 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.144 5.017 -5.034 1.00 0.00 H new ATOM 0 HE ARG A 67 13.023 5.466 -7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.112 7.359 -5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.907 8.199 -6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.050 6.554 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.308 7.745 -8.872 1.00 0.00 H new ATOM 860 N LEU A 68 8.517 4.980 -3.832 1.00 0.00 N ATOM 861 CA LEU A 68 7.192 4.901 -4.438 1.00 0.00 C ATOM 862 C LEU A 68 7.094 5.818 -5.653 1.00 0.00 C ATOM 863 O LEU A 68 7.881 6.754 -5.802 1.00 0.00 O ATOM 864 CB LEU A 68 6.118 5.274 -3.413 1.00 0.00 C ATOM 865 CG LEU A 68 5.465 4.090 -2.696 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.575 3.311 -3.654 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.525 3.181 -2.092 1.00 0.00 C ATOM 0 H LEU A 68 8.744 5.891 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 68 7.030 3.875 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.564 5.930 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.340 5.847 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 68 4.844 4.477 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.119 2.473 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.793 3.966 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.174 2.935 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.042 2.345 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.173 2.802 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.121 3.744 -1.374 1.00 0.00 H new ATOM 879 N GLU A 69 6.124 5.544 -6.518 1.00 0.00 N ATOM 880 CA GLU A 69 5.922 6.345 -7.721 1.00 0.00 C ATOM 881 C GLU A 69 4.438 6.445 -8.062 1.00 0.00 C ATOM 882 O GLU A 69 3.697 5.472 -7.934 1.00 0.00 O ATOM 883 CB GLU A 69 6.689 5.737 -8.897 1.00 0.00 C ATOM 884 CG GLU A 69 6.512 6.502 -10.199 1.00 0.00 C ATOM 885 CD GLU A 69 7.270 5.872 -11.353 1.00 0.00 C ATOM 886 OE1 GLU A 69 7.084 4.662 -11.594 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.048 6.591 -12.014 1.00 0.00 O ATOM 0 H GLU A 69 5.465 4.773 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 69 6.301 7.349 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.750 5.700 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.360 4.708 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.452 6.548 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.853 7.528 -10.062 1.00 0.00 H new ATOM 894 N HIS A 70 4.012 7.627 -8.495 1.00 0.00 N ATOM 895 CA HIS A 70 2.615 7.849 -8.853 1.00 0.00 C ATOM 896 C HIS A 70 2.214 6.981 -10.041 1.00 0.00 C ATOM 897 O HIS A 70 1.247 6.223 -9.970 1.00 0.00 O ATOM 898 CB HIS A 70 2.378 9.326 -9.178 1.00 0.00 C ATOM 899 CG HIS A 70 1.800 10.103 -8.037 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.546 9.856 -7.517 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.310 11.126 -7.314 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.311 10.695 -6.523 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.366 11.475 -6.379 1.00 0.00 N ATOM 0 H HIS A 70 4.612 8.444 -8.606 1.00 0.00 H new ATOM 0 HA HIS A 70 1.997 7.570 -7.999 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.323 9.781 -9.475 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.707 9.398 -10.034 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.099 9.138 -7.848 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.279 11.583 -7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.591 10.735 -5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.464 12.217 -5.686 1.00 0.00 H new ATOM 912 N GLY A 71 2.962 7.097 -11.133 1.00 0.00 N ATOM 913 CA GLY A 71 2.668 6.317 -12.321 1.00 0.00 C ATOM 914 C GLY A 71 3.532 6.711 -13.504 1.00 0.00 C ATOM 915 O GLY A 71 4.169 5.862 -14.124 1.00 0.00 O ATOM 0 H GLY A 71 3.767 7.718 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.817 5.259 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.618 6.444 -12.584 1.00 0.00 H new ATOM 919 N ASP A 72 3.550 8.004 -13.815 1.00 0.00 N ATOM 920 CA ASP A 72 4.340 8.510 -14.932 1.00 0.00 C ATOM 921 C ASP A 72 4.736 9.964 -14.700 1.00 0.00 C ATOM 922 O ASP A 72 4.863 10.741 -15.646 1.00 0.00 O ATOM 923 CB ASP A 72 3.557 8.382 -16.239 1.00 0.00 C ATOM 924 CG ASP A 72 3.907 7.119 -17.002 1.00 0.00 C ATOM 925 OD1 ASP A 72 5.050 7.024 -17.498 1.00 0.00 O ATOM 926 OD2 ASP A 72 3.040 6.226 -17.104 1.00 0.00 O ATOM 0 H ASP A 72 3.027 8.719 -13.310 1.00 0.00 H new ATOM 0 HA ASP A 72 5.248 7.912 -15.004 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.489 8.387 -16.021 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.759 9.250 -16.867 1.00 0.00 H new ATOM 931 N GLY A 73 4.931 10.326 -13.436 1.00 0.00 N ATOM 932 CA GLY A 73 5.311 11.686 -13.102 1.00 0.00 C ATOM 933 C GLY A 73 4.871 12.087 -11.709 1.00 0.00 C ATOM 934 O GLY A 73 3.908 12.838 -11.547 1.00 0.00 O ATOM 0 H GLY A 73 4.832 9.701 -12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.393 11.787 -13.180 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.874 12.371 -13.829 1.00 0.00 H new ATOM 938 N GLY A 74 5.579 11.588 -10.702 1.00 0.00 N ATOM 939 CA GLY A 74 5.240 11.912 -9.327 1.00 0.00 C ATOM 940 C GLY A 74 5.859 10.946 -8.336 1.00 0.00 C ATOM 941 O GLY A 74 5.152 10.163 -7.699 1.00 0.00 O ATOM 0 H GLY A 74 6.380 10.966 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.576 12.924 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.156 11.903 -9.211 1.00 0.00 H new ATOM 945 N ILE A 75 7.179 11.002 -8.203 1.00 0.00 N ATOM 946 CA ILE A 75 7.892 10.124 -7.281 1.00 0.00 C ATOM 947 C ILE A 75 7.510 10.422 -5.834 1.00 0.00 C ATOM 948 O ILE A 75 7.052 11.519 -5.514 1.00 0.00 O ATOM 949 CB ILE A 75 9.415 10.256 -7.451 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.833 9.814 -8.854 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.150 9.435 -6.398 1.00 0.00 C ATOM 952 CD1 ILE A 75 8.963 8.730 -9.460 1.00 0.00 C ATOM 0 H ILE A 75 7.777 11.645 -8.721 1.00 0.00 H new ATOM 0 HA ILE A 75 7.601 9.101 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 75 9.684 11.304 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.821 10.682 -9.513 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.862 9.457 -8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.226 9.543 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.876 9.789 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.875 8.385 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.333 8.480 -10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.994 7.843 -8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.936 9.087 -9.535 1.00 0.00 H new ATOM 964 N LEU A 76 7.701 9.435 -4.966 1.00 0.00 N ATOM 965 CA LEU A 76 7.377 9.588 -3.552 1.00 0.00 C ATOM 966 C LEU A 76 8.519 9.092 -2.672 1.00 0.00 C ATOM 967 O LEU A 76 8.893 7.920 -2.722 1.00 0.00 O ATOM 968 CB LEU A 76 6.094 8.825 -3.218 1.00 0.00 C ATOM 969 CG LEU A 76 4.889 9.172 -4.093 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.772 8.196 -5.252 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.611 9.175 -3.265 1.00 0.00 C ATOM 0 H LEU A 76 8.078 8.521 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 76 7.226 10.649 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.291 7.757 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.835 9.018 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 76 5.037 10.172 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.909 8.459 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.675 8.243 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.648 7.185 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.764 9.424 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.458 8.188 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.695 9.915 -2.469 1.00 0.00 H new ATOM 983 N ASP A 77 9.068 9.993 -1.864 1.00 0.00 N ATOM 984 CA ASP A 77 10.164 9.650 -0.967 1.00 0.00 C ATOM 985 C ASP A 77 9.643 9.375 0.439 1.00 0.00 C ATOM 986 O ASP A 77 8.462 9.575 0.720 1.00 0.00 O ATOM 987 CB ASP A 77 11.196 10.780 -0.931 1.00 0.00 C ATOM 988 CG ASP A 77 12.615 10.262 -0.791 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.906 9.175 -1.331 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.434 10.945 -0.139 1.00 0.00 O ATOM 0 H ASP A 77 8.771 10.967 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 77 10.642 8.746 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.116 11.371 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.972 11.447 -0.099 1.00 0.00 H new ATOM 995 N LEU A 78 10.528 8.917 1.315 1.00 0.00 N ATOM 996 CA LEU A 78 10.155 8.612 2.691 1.00 0.00 C ATOM 997 C LEU A 78 10.359 9.825 3.592 1.00 0.00 C ATOM 998 O LEU A 78 11.326 9.891 4.351 1.00 0.00 O ATOM 999 CB LEU A 78 10.972 7.427 3.209 1.00 0.00 C ATOM 1000 CG LEU A 78 11.216 6.312 2.189 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.510 6.559 1.429 1.00 0.00 C ATOM 1002 CD2 LEU A 78 11.250 4.958 2.879 1.00 0.00 C ATOM 0 H LEU A 78 11.510 8.748 1.097 1.00 0.00 H new ATOM 0 HA LEU A 78 9.097 8.349 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.936 7.796 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.460 7.003 4.073 1.00 0.00 H new ATOM 0 HG LEU A 78 10.393 6.312 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.667 5.757 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.447 7.512 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.344 6.586 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.424 4.177 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.053 4.945 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.297 4.780 3.377 1.00 0.00 H new ATOM 1014 N ASP A 79 9.441 10.783 3.504 1.00 0.00 N ATOM 1015 CA ASP A 79 9.521 11.995 4.312 1.00 0.00 C ATOM 1016 C ASP A 79 8.300 12.881 4.091 1.00 0.00 C ATOM 1017 O ASP A 79 7.723 13.408 5.043 1.00 0.00 O ATOM 1018 CB ASP A 79 10.796 12.772 3.980 1.00 0.00 C ATOM 1019 CG ASP A 79 11.047 13.915 4.944 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.525 13.649 6.068 1.00 0.00 O ATOM 1021 OD2 ASP A 79 10.764 15.074 4.578 1.00 0.00 O ATOM 0 H ASP A 79 8.634 10.743 2.882 1.00 0.00 H new ATOM 0 HA ASP A 79 9.546 11.699 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.647 12.092 3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.724 13.165 2.966 1.00 0.00 H new ATOM 1026 N ASP A 80 7.912 13.044 2.832 1.00 0.00 N ATOM 1027 CA ASP A 80 6.758 13.869 2.486 1.00 0.00 C ATOM 1028 C ASP A 80 5.465 13.244 3.002 1.00 0.00 C ATOM 1029 O ASP A 80 5.278 12.031 2.930 1.00 0.00 O ATOM 1030 CB ASP A 80 6.679 14.059 0.970 1.00 0.00 C ATOM 1031 CG ASP A 80 7.166 15.429 0.534 1.00 0.00 C ATOM 1032 OD1 ASP A 80 8.042 15.994 1.222 1.00 0.00 O ATOM 1033 OD2 ASP A 80 6.672 15.933 -0.496 1.00 0.00 O ATOM 0 H ASP A 80 8.379 12.616 2.032 1.00 0.00 H new ATOM 0 HA ASP A 80 6.882 14.842 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.276 13.291 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.649 13.921 0.642 1.00 0.00 H new ATOM 1038 N ILE A 81 4.578 14.082 3.528 1.00 0.00 N ATOM 1039 CA ILE A 81 3.305 13.616 4.058 1.00 0.00 C ATOM 1040 C ILE A 81 2.463 12.942 2.979 1.00 0.00 C ATOM 1041 O ILE A 81 2.672 13.158 1.786 1.00 0.00 O ATOM 1042 CB ILE A 81 2.521 14.781 4.687 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.258 15.268 5.928 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.100 14.361 5.041 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.304 14.231 7.028 1.00 0.00 C ATOM 0 H ILE A 81 4.719 15.090 3.598 1.00 0.00 H new ATOM 0 HA ILE A 81 3.522 12.877 4.829 1.00 0.00 H new ATOM 0 HB ILE A 81 2.452 15.592 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.276 15.546 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.772 16.168 6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.571 15.205 5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.580 14.039 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.131 13.538 5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.841 14.635 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.288 13.971 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.816 13.339 6.666 1.00 0.00 H new ATOM 1057 N LEU A 82 1.516 12.118 3.414 1.00 0.00 N ATOM 1058 CA LEU A 82 0.644 11.401 2.496 1.00 0.00 C ATOM 1059 C LEU A 82 -0.121 12.360 1.590 1.00 0.00 C ATOM 1060 O LEU A 82 -0.015 12.290 0.367 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.340 10.522 3.270 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.628 9.161 2.637 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -1.058 9.325 1.186 1.00 0.00 C ATOM 1064 CD2 LEU A 82 0.595 8.259 2.733 1.00 0.00 C ATOM 0 H LEU A 82 1.334 11.931 4.400 1.00 0.00 H new ATOM 0 HA LEU A 82 1.274 10.770 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.051 10.363 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.281 11.063 3.376 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.445 8.693 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.258 8.345 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.961 9.933 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.263 9.814 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.372 7.294 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.431 8.723 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.858 8.113 3.781 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.901 13.247 2.199 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.694 14.214 1.446 1.00 0.00 C ATOM 1078 C CYS A 83 -0.812 15.234 0.728 1.00 0.00 C ATOM 1079 O CYS A 83 -1.286 15.979 -0.130 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.668 14.936 2.379 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.945 15.888 1.520 1.00 0.00 S ATOM 0 H CYS A 83 -1.001 13.317 3.212 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.253 13.663 0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.150 14.201 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.104 15.607 3.027 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.453 16.384 0.424 1.00 0.00 H new ATOM 1087 N ASP A 84 0.470 15.273 1.085 1.00 0.00 N ATOM 1088 CA ASP A 84 1.402 16.213 0.471 1.00 0.00 C ATOM 1089 C ASP A 84 2.083 15.606 -0.754 1.00 0.00 C ATOM 1090 O ASP A 84 2.579 16.328 -1.617 1.00 0.00 O ATOM 1091 CB ASP A 84 2.457 16.653 1.488 1.00 0.00 C ATOM 1092 CG ASP A 84 3.129 17.955 1.097 1.00 0.00 C ATOM 1093 OD1 ASP A 84 2.428 18.856 0.589 1.00 0.00 O ATOM 1094 OD2 ASP A 84 4.355 18.075 1.298 1.00 0.00 O ATOM 0 H ASP A 84 0.885 14.667 1.793 1.00 0.00 H new ATOM 0 HA ASP A 84 0.830 17.081 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.989 16.768 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.212 15.873 1.585 1.00 0.00 H new ATOM 1099 N VAL A 85 2.111 14.277 -0.822 1.00 0.00 N ATOM 1100 CA VAL A 85 2.742 13.589 -1.943 1.00 0.00 C ATOM 1101 C VAL A 85 1.710 12.886 -2.824 1.00 0.00 C ATOM 1102 O VAL A 85 1.942 12.673 -4.015 1.00 0.00 O ATOM 1103 CB VAL A 85 3.774 12.553 -1.455 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.098 11.451 -0.653 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.544 11.972 -2.630 1.00 0.00 C ATOM 0 H VAL A 85 1.707 13.659 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 85 3.249 14.353 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 85 4.482 13.060 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.846 10.732 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.600 11.885 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.362 10.945 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.268 11.243 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.850 11.484 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.067 12.772 -3.154 1.00 0.00 H new ATOM 1115 N ALA A 86 0.577 12.519 -2.234 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.477 11.834 -2.970 1.00 0.00 C ATOM 1117 C ALA A 86 -1.846 12.420 -2.656 1.00 0.00 C ATOM 1118 O ALA A 86 -1.979 13.288 -1.793 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.463 10.347 -2.652 1.00 0.00 C ATOM 0 H ALA A 86 0.366 12.685 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.284 11.976 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.256 9.848 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.501 9.924 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.624 10.202 -1.584 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.859 11.935 -3.362 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.225 12.398 -3.162 1.00 0.00 C ATOM 1127 C ASP A 87 -5.158 11.217 -2.916 1.00 0.00 C ATOM 1128 O ASP A 87 -4.838 10.079 -3.260 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.701 13.199 -4.376 1.00 0.00 C ATOM 1130 CG ASP A 87 -5.551 14.391 -3.985 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.152 15.127 -3.058 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -6.616 14.590 -4.607 1.00 0.00 O ATOM 0 H ASP A 87 -2.759 11.218 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.242 13.046 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.836 13.543 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.275 12.548 -5.035 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.311 11.492 -2.318 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.294 10.450 -2.023 1.00 0.00 C ATOM 1139 C ASP A 88 -7.530 9.556 -3.238 1.00 0.00 C ATOM 1140 O ASP A 88 -7.347 9.986 -4.377 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.614 11.078 -1.574 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.150 12.081 -2.578 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -8.412 13.030 -2.920 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -10.306 11.918 -3.020 1.00 0.00 O ATOM 0 H ASP A 88 -6.591 12.429 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.898 9.834 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.353 10.292 -1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.470 11.572 -0.613 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.936 8.311 -2.979 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.206 7.329 -4.034 1.00 0.00 C ATOM 1151 C LYS A 89 -7.253 7.486 -5.221 1.00 0.00 C ATOM 1152 O LYS A 89 -7.684 7.687 -6.356 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.662 7.433 -4.503 1.00 0.00 C ATOM 1154 CG LYS A 89 -9.969 8.693 -5.304 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.398 8.364 -6.726 1.00 0.00 C ATOM 1156 CE LYS A 89 -9.706 9.260 -7.738 1.00 0.00 C ATOM 1157 NZ LYS A 89 -10.523 10.459 -8.071 1.00 0.00 N ATOM 0 H LYS A 89 -8.087 7.955 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.038 6.340 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.899 6.561 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.316 7.401 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.758 9.257 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.087 9.333 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.168 7.321 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.478 8.478 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.741 9.577 -7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.506 8.693 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.015 11.044 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.434 10.158 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.692 11.014 -7.208 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.954 7.390 -4.948 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.944 7.520 -5.994 1.00 0.00 C ATOM 1173 C ASP A 90 -4.267 6.181 -6.269 1.00 0.00 C ATOM 1174 O ASP A 90 -4.327 5.264 -5.450 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.899 8.563 -5.592 1.00 0.00 C ATOM 1176 CG ASP A 90 -2.891 8.824 -6.695 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.287 9.380 -7.742 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.707 8.474 -6.514 1.00 0.00 O ATOM 0 H ASP A 90 -5.577 7.223 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.441 7.846 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.401 9.496 -5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.376 8.224 -4.698 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.622 6.080 -7.427 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.929 4.856 -7.814 1.00 0.00 C ATOM 1185 C ARG A 91 -1.425 5.092 -7.905 1.00 0.00 C ATOM 1186 O ARG A 91 -0.973 6.043 -8.541 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.461 4.350 -9.158 1.00 0.00 C ATOM 1188 CG ARG A 91 -2.919 2.985 -9.551 1.00 0.00 C ATOM 1189 CD ARG A 91 -2.998 2.765 -11.054 1.00 0.00 C ATOM 1190 NE ARG A 91 -3.511 1.439 -11.387 1.00 0.00 N ATOM 1191 CZ ARG A 91 -4.014 1.115 -12.576 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -4.072 2.018 -13.549 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -4.460 -0.115 -12.796 1.00 0.00 N ATOM 0 H ARG A 91 -3.565 6.832 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.115 4.101 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.549 4.301 -9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.206 5.071 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.883 2.896 -9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.484 2.207 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.641 3.525 -11.498 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.008 2.891 -11.491 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.482 0.718 -10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.730 2.965 -13.387 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.458 1.764 -14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.418 -0.813 -12.054 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.845 -0.362 -13.707 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.654 4.221 -7.263 1.00 0.00 N ATOM 1208 CA LEU A 92 0.800 4.338 -7.269 1.00 0.00 C ATOM 1209 C LEU A 92 1.462 2.963 -7.289 1.00 0.00 C ATOM 1210 O LEU A 92 0.841 1.958 -6.947 1.00 0.00 O ATOM 1211 CB LEU A 92 1.272 5.123 -6.043 1.00 0.00 C ATOM 1212 CG LEU A 92 0.498 6.411 -5.758 1.00 0.00 C ATOM 1213 CD1 LEU A 92 -0.585 6.163 -4.719 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.441 7.510 -5.294 1.00 0.00 C ATOM 0 H LEU A 92 -1.011 3.427 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 92 1.091 4.873 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.204 4.476 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.325 5.372 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 92 0.021 6.737 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.126 7.090 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.279 5.408 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.128 5.813 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.872 8.418 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.948 7.194 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.180 7.707 -6.070 1.00 0.00 H new ATOM 1226 N VAL A 93 2.730 2.931 -7.688 1.00 0.00 N ATOM 1227 CA VAL A 93 3.485 1.687 -7.749 1.00 0.00 C ATOM 1228 C VAL A 93 4.711 1.753 -6.843 1.00 0.00 C ATOM 1229 O VAL A 93 5.391 2.777 -6.780 1.00 0.00 O ATOM 1230 CB VAL A 93 3.939 1.372 -9.186 1.00 0.00 C ATOM 1231 CG1 VAL A 93 4.555 -0.016 -9.260 1.00 0.00 C ATOM 1232 CG2 VAL A 93 2.772 1.498 -10.155 1.00 0.00 C ATOM 0 H VAL A 93 3.256 3.756 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 93 2.820 0.893 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 93 4.700 2.097 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.870 -0.220 -10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.419 -0.066 -8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.818 -0.758 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.112 1.272 -11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.986 0.798 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.381 2.515 -10.123 1.00 0.00 H new ATOM 1242 N ALA A 94 4.983 0.660 -6.137 1.00 0.00 N ATOM 1243 CA ALA A 94 6.123 0.605 -5.230 1.00 0.00 C ATOM 1244 C ALA A 94 7.183 -0.379 -5.717 1.00 0.00 C ATOM 1245 O ALA A 94 6.873 -1.511 -6.093 1.00 0.00 O ATOM 1246 CB ALA A 94 5.660 0.229 -3.830 1.00 0.00 C ATOM 0 H ALA A 94 4.431 -0.197 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 94 6.577 1.596 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.519 0.191 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.951 0.974 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.177 -0.748 -3.857 1.00 0.00 H new ATOM 1252 N VAL A 95 8.437 0.062 -5.693 1.00 0.00 N ATOM 1253 CA VAL A 95 9.556 -0.772 -6.118 1.00 0.00 C ATOM 1254 C VAL A 95 10.394 -1.186 -4.914 1.00 0.00 C ATOM 1255 O VAL A 95 10.744 -0.357 -4.073 1.00 0.00 O ATOM 1256 CB VAL A 95 10.455 -0.039 -7.130 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.506 -0.982 -7.695 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.617 0.566 -8.247 1.00 0.00 C ATOM 0 H VAL A 95 8.704 0.996 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 95 9.138 -1.656 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 95 10.969 0.770 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.131 -0.445 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.126 -1.363 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.015 -1.815 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.269 1.080 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.074 -0.225 -8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.907 1.277 -7.825 1.00 0.00 H new ATOM 1268 N PHE A 96 10.708 -2.474 -4.823 1.00 0.00 N ATOM 1269 CA PHE A 96 11.492 -2.982 -3.705 1.00 0.00 C ATOM 1270 C PHE A 96 12.292 -4.221 -4.096 1.00 0.00 C ATOM 1271 O PHE A 96 12.193 -4.711 -5.221 1.00 0.00 O ATOM 1272 CB PHE A 96 10.569 -3.319 -2.535 1.00 0.00 C ATOM 1273 CG PHE A 96 9.571 -4.394 -2.859 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.419 -4.093 -3.565 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.787 -5.703 -2.460 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.500 -5.078 -3.869 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.869 -6.693 -2.761 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.724 -6.379 -3.467 1.00 0.00 C ATOM 0 H PHE A 96 10.433 -3.181 -5.506 1.00 0.00 H new ATOM 0 HA PHE A 96 12.196 -2.203 -3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.172 -3.637 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.037 -2.418 -2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.237 -3.077 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.681 -5.953 -1.908 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.606 -4.830 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.047 -7.710 -2.444 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.006 -7.150 -3.704 1.00 0.00 H new ATOM 1288 N ASP A 97 13.073 -4.723 -3.147 1.00 0.00 N ATOM 1289 CA ASP A 97 13.887 -5.912 -3.365 1.00 0.00 C ATOM 1290 C ASP A 97 13.386 -7.055 -2.490 1.00 0.00 C ATOM 1291 O ASP A 97 12.731 -6.823 -1.475 1.00 0.00 O ATOM 1292 CB ASP A 97 15.356 -5.614 -3.052 1.00 0.00 C ATOM 1293 CG ASP A 97 16.220 -5.592 -4.297 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.760 -5.061 -5.329 1.00 0.00 O ATOM 1295 OD2 ASP A 97 17.357 -6.106 -4.239 1.00 0.00 O ATOM 0 H ASP A 97 13.160 -4.322 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 97 13.806 -6.206 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.429 -4.651 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.737 -6.367 -2.362 1.00 0.00 H new ATOM 1300 N GLU A 98 13.690 -8.286 -2.885 1.00 0.00 N ATOM 1301 CA GLU A 98 13.255 -9.451 -2.124 1.00 0.00 C ATOM 1302 C GLU A 98 14.180 -10.641 -2.352 1.00 0.00 C ATOM 1303 O GLU A 98 14.614 -10.893 -3.476 1.00 0.00 O ATOM 1304 CB GLU A 98 11.823 -9.827 -2.508 1.00 0.00 C ATOM 1305 CG GLU A 98 11.596 -9.901 -4.009 1.00 0.00 C ATOM 1306 CD GLU A 98 10.322 -10.639 -4.370 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.381 -10.636 -3.548 1.00 0.00 O ATOM 1308 OE2 GLU A 98 10.265 -11.219 -5.475 1.00 0.00 O ATOM 0 H GLU A 98 14.232 -8.502 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 98 13.291 -9.190 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.578 -10.792 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.137 -9.096 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.554 -8.891 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.445 -10.399 -4.477 1.00 0.00 H new ATOM 1315 N GLN A 99 14.474 -11.375 -1.281 1.00 0.00 N ATOM 1316 CA GLN A 99 15.344 -12.546 -1.381 1.00 0.00 C ATOM 1317 C GLN A 99 14.549 -13.834 -1.183 1.00 0.00 C ATOM 1318 O GLN A 99 14.782 -14.580 -0.230 1.00 0.00 O ATOM 1319 CB GLN A 99 16.486 -12.476 -0.363 1.00 0.00 C ATOM 1320 CG GLN A 99 17.415 -13.679 -0.404 1.00 0.00 C ATOM 1321 CD GLN A 99 18.854 -13.314 -0.091 1.00 0.00 C ATOM 1322 OE1 GLN A 99 19.756 -13.552 -0.894 1.00 0.00 O ATOM 1323 NE2 GLN A 99 19.076 -12.733 1.083 1.00 0.00 N ATOM 0 H GLN A 99 14.126 -11.183 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 99 15.774 -12.549 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 99 17.068 -11.572 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.064 -12.388 0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.069 -14.425 0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.367 -14.138 -1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.299 -12.554 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.024 -12.466 1.349 1.00 0.00 H new ATOM 1332 N ASP A 100 13.612 -14.091 -2.089 1.00 0.00 N ATOM 1333 CA ASP A 100 12.783 -15.289 -2.014 1.00 0.00 C ATOM 1334 C ASP A 100 13.644 -16.548 -2.003 1.00 0.00 C ATOM 1335 O ASP A 100 14.858 -16.436 -2.273 1.00 0.00 O ATOM 1336 CB ASP A 100 11.806 -15.334 -3.192 1.00 0.00 C ATOM 1337 CG ASP A 100 12.518 -15.412 -4.529 1.00 0.00 C ATOM 1338 OD1 ASP A 100 12.924 -16.526 -4.921 1.00 0.00 O ATOM 1339 OD2 ASP A 100 12.666 -14.359 -5.183 1.00 0.00 O ATOM 1340 OXT ASP A 100 13.097 -17.636 -1.723 1.00 0.00 O ATOM 0 H ASP A 100 13.407 -13.486 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 100 12.217 -15.251 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.148 -16.196 -3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.174 -14.446 -3.171 1.00 0.00 H new