USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 SER OG : rot 168:sc= -0.178 USER MOD Set 2.2: A 90 THR OG1 : rot -64:sc= 0.0666 USER MOD Set 3.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 66 GLN : amide:sc= 0 X(o=0,f=0.0063) USER MOD Single : A 4 MET CE :methyl 160:sc= -0.059 (180deg=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -26:sc= 0.336 USER MOD Single : A 24 MET CE :methyl 156:sc= -0.153 (180deg=-0.717) USER MOD Single : A 29 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.042) USER MOD Single : A 31 TYR OH : rot 168:sc= 0.285 USER MOD Single : A 32 MET CE :methyl -164:sc= -0.0267 (180deg=-0.341) USER MOD Single : A 36 CYS SG : rot -26:sc= 0.202 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 42 HIS : no HE2:sc= 0.109 K(o=0.11,f=-0.47) USER MOD Single : A 45 GLN : amide:sc= 0.226 K(o=0.23,f=-3!) USER MOD Single : A 51 SER OG : rot -170:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= 0.101 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -103:sc= -0.574 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -85:sc= 0.496 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.686 F(o=-2.4!,f=-0.69) USER MOD Single : A 95 LYS NZ :NH3+ -140:sc= -0.947 (180deg=-3.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 135:sc= 0.202 USER MOD Single : A 102 LYS NZ :NH3+ 145:sc= -1.4 (180deg=-3.32!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 10.083 13.657 -6.046 1.00 0.00 N ATOM 21 CA GLY A 2 11.413 13.810 -5.481 1.00 0.00 C ATOM 22 C GLY A 2 11.893 12.550 -4.776 1.00 0.00 C ATOM 23 O GLY A 2 11.113 11.608 -4.615 1.00 0.00 O ATOM 0 HA2 GLY A 2 12.114 14.068 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.411 14.640 -4.774 1.00 0.00 H new ATOM 27 N PRO A 3 13.177 12.495 -4.336 1.00 0.00 N ATOM 28 CA PRO A 3 13.720 11.330 -3.648 1.00 0.00 C ATOM 29 C PRO A 3 13.347 11.309 -2.167 1.00 0.00 C ATOM 30 O PRO A 3 13.810 12.142 -1.381 1.00 0.00 O ATOM 31 CB PRO A 3 15.239 11.460 -3.834 1.00 0.00 C ATOM 32 CG PRO A 3 15.497 12.815 -4.418 1.00 0.00 C ATOM 33 CD PRO A 3 14.191 13.554 -4.467 1.00 0.00 C ATOM 0 HA PRO A 3 13.322 10.399 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.755 11.347 -2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.615 10.678 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.221 13.360 -3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.922 12.725 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.114 14.282 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.077 14.102 -5.402 1.00 0.00 H new ATOM 41 N MET A 4 12.495 10.351 -1.803 1.00 0.00 N ATOM 42 CA MET A 4 12.029 10.197 -0.424 1.00 0.00 C ATOM 43 C MET A 4 12.487 8.848 0.162 1.00 0.00 C ATOM 44 O MET A 4 12.747 7.914 -0.602 1.00 0.00 O ATOM 45 CB MET A 4 10.492 10.348 -0.372 1.00 0.00 C ATOM 46 CG MET A 4 9.727 9.528 -1.412 1.00 0.00 C ATOM 47 SD MET A 4 9.458 7.809 -0.929 1.00 0.00 S ATOM 48 CE MET A 4 8.283 8.001 0.410 1.00 0.00 C ATOM 0 H MET A 4 12.110 9.663 -2.451 1.00 0.00 H new ATOM 0 HA MET A 4 12.471 10.981 0.191 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.147 10.060 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.241 11.400 -0.504 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.762 10.000 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.276 9.550 -2.354 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.759 7.059 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.812 8.283 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.563 8.778 0.153 1.00 0.00 H new ATOM 58 N PRO A 5 12.613 8.720 1.524 1.00 0.00 N ATOM 59 CA PRO A 5 13.058 7.469 2.173 1.00 0.00 C ATOM 60 C PRO A 5 12.201 6.262 1.792 1.00 0.00 C ATOM 61 O PRO A 5 10.999 6.393 1.559 1.00 0.00 O ATOM 62 CB PRO A 5 12.927 7.763 3.676 1.00 0.00 C ATOM 63 CG PRO A 5 12.069 8.973 3.772 1.00 0.00 C ATOM 64 CD PRO A 5 12.353 9.768 2.537 1.00 0.00 C ATOM 0 HA PRO A 5 14.069 7.204 1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.478 6.921 4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.903 7.938 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.015 8.702 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.300 9.547 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.508 10.399 2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.212 10.426 2.668 1.00 0.00 H new ATOM 72 N LYS A 6 12.846 5.094 1.720 1.00 0.00 N ATOM 73 CA LYS A 6 12.177 3.845 1.352 1.00 0.00 C ATOM 74 C LYS A 6 11.071 3.473 2.337 1.00 0.00 C ATOM 75 O LYS A 6 11.248 3.564 3.554 1.00 0.00 O ATOM 76 CB LYS A 6 13.195 2.701 1.273 1.00 0.00 C ATOM 77 CG LYS A 6 14.319 2.946 0.271 1.00 0.00 C ATOM 78 CD LYS A 6 15.316 1.790 0.227 1.00 0.00 C ATOM 79 CE LYS A 6 16.187 1.731 1.477 1.00 0.00 C ATOM 80 NZ LYS A 6 17.159 0.603 1.426 1.00 0.00 N ATOM 0 H LYS A 6 13.842 4.989 1.914 1.00 0.00 H new ATOM 0 HA LYS A 6 11.719 4.003 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.629 2.544 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.675 1.782 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.893 3.094 -0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.843 3.865 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.775 0.850 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.952 1.895 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.728 2.671 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.552 1.623 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.731 0.599 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.643 -0.297 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.782 0.719 0.601 1.00 0.00 H new ATOM 94 N LEU A 7 9.937 3.041 1.785 1.00 0.00 N ATOM 95 CA LEU A 7 8.783 2.629 2.580 1.00 0.00 C ATOM 96 C LEU A 7 8.997 1.200 3.073 1.00 0.00 C ATOM 97 O LEU A 7 8.652 0.861 4.208 1.00 0.00 O ATOM 98 CB LEU A 7 7.504 2.711 1.720 1.00 0.00 C ATOM 99 CG LEU A 7 6.237 3.296 2.387 1.00 0.00 C ATOM 100 CD1 LEU A 7 5.791 2.466 3.585 1.00 0.00 C ATOM 101 CD2 LEU A 7 6.450 4.750 2.791 1.00 0.00 C ATOM 0 H LEU A 7 9.794 2.967 0.778 1.00 0.00 H new ATOM 0 HA LEU A 7 8.671 3.291 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.728 3.311 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.268 1.706 1.370 1.00 0.00 H new ATOM 0 HG LEU A 7 5.439 3.259 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.898 2.911 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.567 1.450 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.588 2.443 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.543 5.135 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.277 4.814 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.683 5.343 1.907 1.00 0.00 H new ATOM 113 N ALA A 8 9.581 0.376 2.197 1.00 0.00 N ATOM 114 CA ALA A 8 9.872 -1.025 2.499 1.00 0.00 C ATOM 115 C ALA A 8 11.011 -1.537 1.620 1.00 0.00 C ATOM 116 O ALA A 8 11.543 -0.794 0.791 1.00 0.00 O ATOM 117 CB ALA A 8 8.626 -1.880 2.307 1.00 0.00 C ATOM 0 H ALA A 8 9.864 0.663 1.260 1.00 0.00 H new ATOM 0 HA ALA A 8 10.183 -1.096 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.859 -2.920 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.838 -1.530 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.288 -1.803 1.274 1.00 0.00 H new ATOM 123 N ASP A 9 11.381 -2.806 1.805 1.00 0.00 N ATOM 124 CA ASP A 9 12.459 -3.417 1.029 1.00 0.00 C ATOM 125 C ASP A 9 11.899 -4.308 -0.082 1.00 0.00 C ATOM 126 O ASP A 9 12.141 -4.059 -1.268 1.00 0.00 O ATOM 127 CB ASP A 9 13.381 -4.227 1.946 1.00 0.00 C ATOM 128 CG ASP A 9 14.037 -3.370 3.013 1.00 0.00 C ATOM 129 OD1 ASP A 9 14.784 -2.437 2.651 1.00 0.00 O ATOM 130 OD2 ASP A 9 13.803 -3.634 4.211 1.00 0.00 O ATOM 0 H ASP A 9 10.949 -3.430 2.486 1.00 0.00 H new ATOM 0 HA ASP A 9 13.037 -2.618 0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.807 -5.021 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.153 -4.709 1.346 1.00 0.00 H new ATOM 135 N ARG A 10 11.151 -5.346 0.311 1.00 0.00 N ATOM 136 CA ARG A 10 10.553 -6.277 -0.647 1.00 0.00 C ATOM 137 C ARG A 10 9.029 -6.269 -0.549 1.00 0.00 C ATOM 138 O ARG A 10 8.460 -6.011 0.519 1.00 0.00 O ATOM 139 CB ARG A 10 11.068 -7.710 -0.429 1.00 0.00 C ATOM 140 CG ARG A 10 12.498 -7.965 -0.902 1.00 0.00 C ATOM 141 CD ARG A 10 13.539 -7.481 0.097 1.00 0.00 C ATOM 142 NE ARG A 10 14.904 -7.756 -0.355 1.00 0.00 N ATOM 143 CZ ARG A 10 16.005 -7.439 0.332 1.00 0.00 C ATOM 144 NH1 ARG A 10 15.922 -6.830 1.512 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.198 -7.733 -0.166 1.00 0.00 N ATOM 0 H ARG A 10 10.947 -5.560 1.287 1.00 0.00 H new ATOM 0 HA ARG A 10 10.847 -5.942 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.007 -7.944 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.402 -8.401 -0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.635 -9.032 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.656 -7.464 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.419 -6.409 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.371 -7.966 1.059 1.00 0.00 H new ATOM 0 HE ARG A 10 15.022 -8.221 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.009 -6.599 1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.771 -6.594 2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.272 -8.199 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.041 -7.493 0.355 1.00 0.00 H new ATOM 159 N LYS A 11 8.383 -6.555 -1.680 1.00 0.00 N ATOM 160 CA LYS A 11 6.926 -6.592 -1.768 1.00 0.00 C ATOM 161 C LYS A 11 6.453 -7.944 -2.308 1.00 0.00 C ATOM 162 O LYS A 11 7.264 -8.766 -2.742 1.00 0.00 O ATOM 163 CB LYS A 11 6.436 -5.454 -2.672 1.00 0.00 C ATOM 164 CG LYS A 11 7.019 -5.494 -4.079 1.00 0.00 C ATOM 165 CD LYS A 11 6.740 -4.212 -4.836 1.00 0.00 C ATOM 166 CE LYS A 11 7.314 -4.258 -6.243 1.00 0.00 C ATOM 167 NZ LYS A 11 7.048 -3.000 -6.993 1.00 0.00 N ATOM 0 H LYS A 11 8.856 -6.767 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 11 6.508 -6.461 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.349 -5.497 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.690 -4.500 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.095 -5.657 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.597 -6.338 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.664 -4.045 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.168 -3.368 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.389 -4.429 -6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.883 -5.101 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.455 -3.072 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.022 -2.849 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.481 -2.199 -6.491 1.00 0.00 H new ATOM 181 N LEU A 12 5.136 -8.156 -2.287 1.00 0.00 N ATOM 182 CA LEU A 12 4.542 -9.396 -2.780 1.00 0.00 C ATOM 183 C LEU A 12 3.639 -9.116 -3.974 1.00 0.00 C ATOM 184 O LEU A 12 2.606 -8.461 -3.836 1.00 0.00 O ATOM 185 CB LEU A 12 3.736 -10.097 -1.675 1.00 0.00 C ATOM 186 CG LEU A 12 4.541 -10.591 -0.464 1.00 0.00 C ATOM 187 CD1 LEU A 12 3.599 -11.066 0.632 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.497 -11.711 -0.860 1.00 0.00 C ATOM 0 H LEU A 12 4.459 -7.481 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 12 5.353 -10.054 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.969 -9.409 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.219 -10.950 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 12 5.134 -9.758 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.180 -11.414 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.957 -10.242 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.984 -11.883 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.054 -12.041 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.929 -12.548 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.193 -11.345 -1.615 1.00 0.00 H new ATOM 200 N CYS A 13 4.045 -9.617 -5.140 1.00 0.00 N ATOM 201 CA CYS A 13 3.290 -9.434 -6.378 1.00 0.00 C ATOM 202 C CYS A 13 2.823 -10.783 -6.926 1.00 0.00 C ATOM 203 O CYS A 13 3.145 -11.832 -6.362 1.00 0.00 O ATOM 204 CB CYS A 13 4.154 -8.718 -7.420 1.00 0.00 C ATOM 205 SG CYS A 13 4.800 -7.103 -6.875 1.00 0.00 S ATOM 0 H CYS A 13 4.902 -10.158 -5.253 1.00 0.00 H new ATOM 0 HA CYS A 13 2.413 -8.824 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.993 -9.362 -7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.566 -8.574 -8.326 1.00 0.00 H new ATOM 210 N ALA A 14 2.065 -10.745 -8.026 1.00 0.00 N ATOM 211 CA ALA A 14 1.551 -11.961 -8.655 1.00 0.00 C ATOM 212 C ALA A 14 2.605 -12.613 -9.546 1.00 0.00 C ATOM 213 O ALA A 14 2.603 -13.833 -9.728 1.00 0.00 O ATOM 214 CB ALA A 14 0.293 -11.655 -9.452 1.00 0.00 C ATOM 0 H ALA A 14 1.794 -9.883 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 14 1.301 -12.668 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.077 -12.570 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.470 -11.250 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.522 -10.924 -10.228 1.00 0.00 H new ATOM 220 N ASP A 15 3.509 -11.792 -10.092 1.00 0.00 N ATOM 221 CA ASP A 15 4.584 -12.280 -10.958 1.00 0.00 C ATOM 222 C ASP A 15 5.810 -11.365 -10.889 1.00 0.00 C ATOM 223 O ASP A 15 5.799 -10.354 -10.182 1.00 0.00 O ATOM 224 CB ASP A 15 4.093 -12.435 -12.408 1.00 0.00 C ATOM 225 CG ASP A 15 3.323 -11.231 -12.916 1.00 0.00 C ATOM 226 OD1 ASP A 15 3.910 -10.135 -12.997 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.130 -11.390 -13.240 1.00 0.00 O ATOM 0 H ASP A 15 3.516 -10.782 -9.947 1.00 0.00 H new ATOM 0 HA ASP A 15 4.883 -13.263 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.951 -12.609 -13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.458 -13.318 -12.476 1.00 0.00 H new ATOM 232 N GLN A 16 6.868 -11.748 -11.615 1.00 0.00 N ATOM 233 CA GLN A 16 8.131 -10.997 -11.643 1.00 0.00 C ATOM 234 C GLN A 16 7.960 -9.590 -12.236 1.00 0.00 C ATOM 235 O GLN A 16 8.782 -8.703 -11.988 1.00 0.00 O ATOM 236 CB GLN A 16 9.176 -11.793 -12.441 1.00 0.00 C ATOM 237 CG GLN A 16 10.599 -11.264 -12.312 1.00 0.00 C ATOM 238 CD GLN A 16 11.599 -12.074 -13.116 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.499 -12.170 -14.340 1.00 0.00 O ATOM 240 NE2 GLN A 16 12.571 -12.665 -12.430 1.00 0.00 N ATOM 0 H GLN A 16 6.874 -12.585 -12.198 1.00 0.00 H new ATOM 0 HA GLN A 16 8.468 -10.866 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.155 -12.831 -12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.893 -11.788 -13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.628 -10.226 -12.643 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.892 -11.272 -11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.617 -12.559 -11.417 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.271 -13.224 -12.917 1.00 0.00 H new ATOM 249 N GLU A 17 6.892 -9.387 -13.010 1.00 0.00 N ATOM 250 CA GLU A 17 6.623 -8.086 -13.625 1.00 0.00 C ATOM 251 C GLU A 17 5.798 -7.202 -12.698 1.00 0.00 C ATOM 252 O GLU A 17 5.789 -5.977 -12.859 1.00 0.00 O ATOM 253 CB GLU A 17 5.874 -8.245 -14.960 1.00 0.00 C ATOM 254 CG GLU A 17 6.690 -8.916 -16.064 1.00 0.00 C ATOM 255 CD GLU A 17 6.706 -10.439 -15.985 1.00 0.00 C ATOM 256 OE1 GLU A 17 5.948 -11.014 -15.173 1.00 0.00 O ATOM 257 OE2 GLU A 17 7.468 -11.059 -16.757 1.00 0.00 O ATOM 0 H GLU A 17 6.201 -10.105 -13.225 1.00 0.00 H new ATOM 0 HA GLU A 17 7.589 -7.615 -13.809 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.969 -8.828 -14.788 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.558 -7.261 -15.305 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.288 -8.617 -17.032 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.715 -8.549 -16.018 1.00 0.00 H new ATOM 264 N CYS A 18 5.091 -7.840 -11.746 1.00 0.00 N ATOM 265 CA CYS A 18 4.222 -7.143 -10.785 1.00 0.00 C ATOM 266 C CYS A 18 3.206 -6.271 -11.535 1.00 0.00 C ATOM 267 O CYS A 18 2.793 -5.205 -11.067 1.00 0.00 O ATOM 268 CB CYS A 18 5.054 -6.309 -9.796 1.00 0.00 C ATOM 269 SG CYS A 18 4.150 -5.804 -8.296 1.00 0.00 S ATOM 0 H CYS A 18 5.108 -8.852 -11.623 1.00 0.00 H new ATOM 0 HA CYS A 18 3.675 -7.885 -10.204 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.931 -6.885 -9.501 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.416 -5.416 -10.306 1.00 0.00 H new ATOM 274 N SER A 19 2.828 -6.750 -12.722 1.00 0.00 N ATOM 275 CA SER A 19 1.885 -6.059 -13.590 1.00 0.00 C ATOM 276 C SER A 19 0.470 -6.623 -13.431 1.00 0.00 C ATOM 277 O SER A 19 -0.487 -6.104 -14.012 1.00 0.00 O ATOM 278 CB SER A 19 2.358 -6.187 -15.037 1.00 0.00 C ATOM 279 OG SER A 19 1.501 -5.495 -15.930 1.00 0.00 O ATOM 0 H SER A 19 3.171 -7.631 -13.105 1.00 0.00 H new ATOM 0 HA SER A 19 1.847 -5.006 -13.309 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.371 -5.794 -15.125 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.400 -7.240 -15.315 1.00 0.00 H new ATOM 0 HG SER A 19 0.604 -5.432 -15.540 1.00 0.00 H new ATOM 285 N HIS A 20 0.353 -7.688 -12.636 1.00 0.00 N ATOM 286 CA HIS A 20 -0.932 -8.338 -12.383 1.00 0.00 C ATOM 287 C HIS A 20 -1.504 -7.949 -11.012 1.00 0.00 C ATOM 288 O HIS A 20 -0.742 -7.686 -10.080 1.00 0.00 O ATOM 289 CB HIS A 20 -0.774 -9.859 -12.446 1.00 0.00 C ATOM 290 CG HIS A 20 -0.986 -10.477 -13.798 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.017 -11.839 -13.975 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.205 -9.936 -15.025 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.251 -12.117 -15.240 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.367 -10.980 -15.903 1.00 0.00 N ATOM 0 H HIS A 20 1.140 -8.121 -12.153 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.625 -8.002 -13.154 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.227 -10.117 -12.101 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.478 -10.309 -11.746 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.244 -8.884 -15.265 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.334 -13.107 -15.664 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.547 -10.892 -16.903 1.00 0.00 H new ATOM 303 N PRO A 21 -2.861 -7.920 -10.858 1.00 0.00 N ATOM 304 CA PRO A 21 -3.506 -7.579 -9.598 1.00 0.00 C ATOM 305 C PRO A 21 -3.820 -8.818 -8.754 1.00 0.00 C ATOM 306 O PRO A 21 -4.421 -9.781 -9.244 1.00 0.00 O ATOM 307 CB PRO A 21 -4.795 -6.893 -10.060 1.00 0.00 C ATOM 308 CG PRO A 21 -5.080 -7.417 -11.440 1.00 0.00 C ATOM 309 CD PRO A 21 -3.881 -8.222 -11.883 1.00 0.00 C ATOM 0 HA PRO A 21 -2.878 -6.960 -8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.619 -7.116 -9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.676 -5.810 -10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.976 -8.037 -11.436 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.265 -6.594 -12.131 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.106 -9.288 -11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.548 -7.930 -12.879 1.00 0.00 H new ATOM 317 N ILE A 22 -3.408 -8.795 -7.488 1.00 0.00 N ATOM 318 CA ILE A 22 -3.645 -9.923 -6.591 1.00 0.00 C ATOM 319 C ILE A 22 -5.115 -10.021 -6.207 1.00 0.00 C ATOM 320 O ILE A 22 -5.759 -11.026 -6.486 1.00 0.00 O ATOM 321 CB ILE A 22 -2.801 -9.844 -5.295 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.312 -9.681 -5.634 1.00 0.00 C ATOM 323 CG2 ILE A 22 -3.029 -11.097 -4.438 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.459 -9.261 -4.454 1.00 0.00 C ATOM 0 H ILE A 22 -2.911 -8.012 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.343 -10.811 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.117 -8.972 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.933 -10.624 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.208 -8.941 -6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.430 -11.030 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.084 -11.170 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.735 -11.982 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.580 -9.167 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.811 -8.302 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.531 -10.012 -3.667 1.00 0.00 H new ATOM 336 N SER A 23 -5.631 -8.986 -5.545 1.00 0.00 N ATOM 337 CA SER A 23 -7.021 -8.987 -5.104 1.00 0.00 C ATOM 338 C SER A 23 -7.687 -7.630 -5.293 1.00 0.00 C ATOM 339 O SER A 23 -7.047 -6.585 -5.164 1.00 0.00 O ATOM 340 CB SER A 23 -7.098 -9.386 -3.631 1.00 0.00 C ATOM 341 OG SER A 23 -6.527 -10.664 -3.412 1.00 0.00 O ATOM 0 H SER A 23 -5.110 -8.143 -5.305 1.00 0.00 H new ATOM 0 HA SER A 23 -7.555 -9.710 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.579 -8.645 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.139 -9.390 -3.307 1.00 0.00 H new ATOM 0 HG SER A 23 -6.411 -10.810 -2.450 1.00 0.00 H new ATOM 347 N MET A 24 -8.986 -7.672 -5.578 1.00 0.00 N ATOM 348 CA MET A 24 -9.788 -6.472 -5.768 1.00 0.00 C ATOM 349 C MET A 24 -10.366 -6.043 -4.420 1.00 0.00 C ATOM 350 O MET A 24 -11.211 -6.742 -3.852 1.00 0.00 O ATOM 351 CB MET A 24 -10.922 -6.758 -6.757 1.00 0.00 C ATOM 352 CG MET A 24 -11.533 -5.509 -7.371 1.00 0.00 C ATOM 353 SD MET A 24 -13.142 -5.810 -8.134 1.00 0.00 S ATOM 354 CE MET A 24 -14.146 -6.217 -6.705 1.00 0.00 C ATOM 0 H MET A 24 -9.510 -8.541 -5.683 1.00 0.00 H new ATOM 0 HA MET A 24 -9.166 -5.672 -6.170 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.542 -7.395 -7.556 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.704 -7.320 -6.246 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.640 -4.747 -6.599 1.00 0.00 H new ATOM 0 HG3 MET A 24 -10.851 -5.109 -8.121 1.00 0.00 H new ATOM 0 HE1 MET A 24 -15.194 -6.012 -6.926 1.00 0.00 H new ATOM 0 HE2 MET A 24 -14.026 -7.273 -6.465 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.830 -5.613 -5.854 1.00 0.00 H new ATOM 364 N ALA A 25 -9.897 -4.909 -3.901 1.00 0.00 N ATOM 365 CA ALA A 25 -10.362 -4.415 -2.608 1.00 0.00 C ATOM 366 C ALA A 25 -11.189 -3.142 -2.750 1.00 0.00 C ATOM 367 O ALA A 25 -10.920 -2.307 -3.615 1.00 0.00 O ATOM 368 CB ALA A 25 -9.178 -4.173 -1.682 1.00 0.00 C ATOM 0 H ALA A 25 -9.199 -4.319 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.008 -5.180 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.537 -3.805 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.636 -5.107 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.512 -3.434 -2.128 1.00 0.00 H new ATOM 374 N VAL A 26 -12.196 -3.008 -1.887 1.00 0.00 N ATOM 375 CA VAL A 26 -13.080 -1.837 -1.896 1.00 0.00 C ATOM 376 C VAL A 26 -12.657 -0.840 -0.808 1.00 0.00 C ATOM 377 O VAL A 26 -12.306 -1.244 0.303 1.00 0.00 O ATOM 378 CB VAL A 26 -14.561 -2.251 -1.679 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.496 -1.053 -1.818 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.961 -3.346 -2.660 1.00 0.00 C ATOM 0 H VAL A 26 -12.422 -3.697 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.994 -1.362 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.652 -2.637 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.525 -1.375 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.234 -0.299 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.397 -0.628 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.002 -3.622 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.842 -2.981 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.325 -4.219 -2.510 1.00 0.00 H new ATOM 390 N ALA A 27 -12.690 0.459 -1.140 1.00 0.00 N ATOM 391 CA ALA A 27 -12.310 1.515 -0.195 1.00 0.00 C ATOM 392 C ALA A 27 -13.487 1.924 0.688 1.00 0.00 C ATOM 393 O ALA A 27 -14.601 2.133 0.196 1.00 0.00 O ATOM 394 CB ALA A 27 -11.768 2.720 -0.940 1.00 0.00 C ATOM 0 H ALA A 27 -12.976 0.802 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.529 1.117 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.490 3.495 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.891 2.427 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.533 3.105 -1.614 1.00 0.00 H new ATOM 400 N LEU A 28 -13.226 2.027 1.995 1.00 0.00 N ATOM 401 CA LEU A 28 -14.252 2.395 2.974 1.00 0.00 C ATOM 402 C LEU A 28 -14.186 3.872 3.364 1.00 0.00 C ATOM 403 O LEU A 28 -15.130 4.391 3.966 1.00 0.00 O ATOM 404 CB LEU A 28 -14.124 1.530 4.247 1.00 0.00 C ATOM 405 CG LEU A 28 -14.647 0.074 4.175 1.00 0.00 C ATOM 406 CD1 LEU A 28 -16.112 0.029 3.749 1.00 0.00 C ATOM 407 CD2 LEU A 28 -13.788 -0.780 3.255 1.00 0.00 C ATOM 0 H LEU A 28 -12.305 1.859 2.401 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.214 2.215 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.071 1.496 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.652 2.038 5.054 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.578 -0.345 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.447 -1.007 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.718 0.579 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.219 0.484 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.183 -1.796 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.801 -0.358 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.764 -0.799 3.627 1.00 0.00 H new ATOM 419 N GLN A 29 -13.076 4.546 3.037 1.00 0.00 N ATOM 420 CA GLN A 29 -12.917 5.965 3.380 1.00 0.00 C ATOM 421 C GLN A 29 -12.003 6.696 2.391 1.00 0.00 C ATOM 422 O GLN A 29 -11.565 6.120 1.392 1.00 0.00 O ATOM 423 CB GLN A 29 -12.381 6.112 4.813 1.00 0.00 C ATOM 424 CG GLN A 29 -11.030 5.450 5.045 1.00 0.00 C ATOM 425 CD GLN A 29 -10.478 5.740 6.427 1.00 0.00 C ATOM 426 OE1 GLN A 29 -11.034 5.303 7.436 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.386 6.494 6.480 1.00 0.00 N ATOM 0 H GLN A 29 -12.283 4.138 2.541 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.902 6.428 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.299 7.172 5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.106 5.685 5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.128 4.372 4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.323 5.799 4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.959 6.834 5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.974 6.733 7.382 1.00 0.00 H new ATOM 436 N ASP A 30 -11.732 7.978 2.680 1.00 0.00 N ATOM 437 CA ASP A 30 -10.882 8.811 1.828 1.00 0.00 C ATOM 438 C ASP A 30 -9.446 8.886 2.343 1.00 0.00 C ATOM 439 O ASP A 30 -9.186 8.728 3.538 1.00 0.00 O ATOM 440 CB ASP A 30 -11.452 10.231 1.720 1.00 0.00 C ATOM 441 CG ASP A 30 -12.734 10.295 0.912 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.733 9.677 1.328 1.00 0.00 O ATOM 443 OD2 ASP A 30 -12.738 10.969 -0.139 1.00 0.00 O ATOM 0 H ASP A 30 -12.094 8.459 3.503 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.868 8.341 0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.640 10.618 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.707 10.882 1.262 1.00 0.00 H new ATOM 448 N TYR A 31 -8.530 9.149 1.411 1.00 0.00 N ATOM 449 CA TYR A 31 -7.105 9.281 1.694 1.00 0.00 C ATOM 450 C TYR A 31 -6.479 10.234 0.674 1.00 0.00 C ATOM 451 O TYR A 31 -6.933 10.296 -0.469 1.00 0.00 O ATOM 452 CB TYR A 31 -6.406 7.912 1.617 1.00 0.00 C ATOM 453 CG TYR A 31 -5.015 7.894 2.229 1.00 0.00 C ATOM 454 CD1 TYR A 31 -4.830 7.956 3.609 1.00 0.00 C ATOM 455 CD2 TYR A 31 -3.884 7.817 1.423 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.564 7.945 4.160 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.616 7.807 1.969 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.461 7.872 3.338 1.00 0.00 C ATOM 459 OH TYR A 31 -1.199 7.863 3.885 1.00 0.00 O ATOM 0 H TYR A 31 -8.762 9.278 0.426 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.979 9.676 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.024 7.171 2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.336 7.609 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.691 8.014 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.000 7.764 0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.439 7.993 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.749 7.749 1.327 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.546 7.616 3.197 1.00 0.00 H new ATOM 469 N MET A 32 -5.435 10.958 1.078 1.00 0.00 N ATOM 470 CA MET A 32 -4.751 11.885 0.177 1.00 0.00 C ATOM 471 C MET A 32 -3.261 11.583 0.109 1.00 0.00 C ATOM 472 O MET A 32 -2.638 11.245 1.118 1.00 0.00 O ATOM 473 CB MET A 32 -4.993 13.335 0.592 1.00 0.00 C ATOM 474 CG MET A 32 -6.354 13.858 0.174 1.00 0.00 C ATOM 475 SD MET A 32 -6.636 15.571 0.660 1.00 0.00 S ATOM 476 CE MET A 32 -6.749 15.391 2.435 1.00 0.00 C ATOM 0 H MET A 32 -5.046 10.921 2.020 1.00 0.00 H new ATOM 0 HA MET A 32 -5.169 11.747 -0.820 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.896 13.417 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.219 13.965 0.154 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.452 13.773 -0.908 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.128 13.230 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.197 16.287 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.367 14.526 2.674 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.751 15.250 2.851 1.00 0.00 H new ATOM 486 N ALA A 33 -2.709 11.685 -1.100 1.00 0.00 N ATOM 487 CA ALA A 33 -1.299 11.403 -1.337 1.00 0.00 C ATOM 488 C ALA A 33 -0.430 12.665 -1.283 1.00 0.00 C ATOM 489 O ALA A 33 -0.585 13.552 -2.129 1.00 0.00 O ATOM 490 CB ALA A 33 -1.129 10.731 -2.687 1.00 0.00 C ATOM 0 H ALA A 33 -3.225 11.963 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.966 10.740 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.073 10.522 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.691 9.797 -2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.501 11.390 -3.471 1.00 0.00 H new ATOM 496 N PRO A 34 0.517 12.768 -0.308 1.00 0.00 N ATOM 497 CA PRO A 34 1.408 13.924 -0.201 1.00 0.00 C ATOM 498 C PRO A 34 2.452 13.913 -1.319 1.00 0.00 C ATOM 499 O PRO A 34 2.458 14.793 -2.182 1.00 0.00 O ATOM 500 CB PRO A 34 2.077 13.753 1.177 1.00 0.00 C ATOM 501 CG PRO A 34 1.331 12.654 1.850 1.00 0.00 C ATOM 502 CD PRO A 34 0.815 11.783 0.748 1.00 0.00 C ATOM 0 HA PRO A 34 0.878 14.872 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.133 13.503 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.024 14.675 1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.981 12.093 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.513 13.048 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.556 11.051 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.073 11.227 1.049 1.00 0.00 H new ATOM 510 N ASP A 35 3.321 12.895 -1.298 1.00 0.00 N ATOM 511 CA ASP A 35 4.363 12.738 -2.311 1.00 0.00 C ATOM 512 C ASP A 35 3.891 11.847 -3.468 1.00 0.00 C ATOM 513 O ASP A 35 2.829 11.218 -3.394 1.00 0.00 O ATOM 514 CB ASP A 35 5.644 12.179 -1.677 1.00 0.00 C ATOM 515 CG ASP A 35 5.403 10.924 -0.862 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.950 9.919 -1.441 1.00 0.00 O ATOM 517 OD2 ASP A 35 5.669 10.948 0.358 1.00 0.00 O ATOM 0 H ASP A 35 3.320 12.166 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 35 4.581 13.722 -2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.367 11.962 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.089 12.941 -1.037 1.00 0.00 H new ATOM 522 N CYS A 36 4.699 11.809 -4.531 1.00 0.00 N ATOM 523 CA CYS A 36 4.412 11.022 -5.740 1.00 0.00 C ATOM 524 C CYS A 36 4.436 9.503 -5.483 1.00 0.00 C ATOM 525 O CYS A 36 4.002 8.722 -6.334 1.00 0.00 O ATOM 526 CB CYS A 36 5.444 11.393 -6.819 1.00 0.00 C ATOM 527 SG CYS A 36 5.243 10.545 -8.422 1.00 0.00 S ATOM 0 H CYS A 36 5.577 12.326 -4.580 1.00 0.00 H new ATOM 0 HA CYS A 36 3.401 11.262 -6.070 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.396 12.469 -6.988 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.440 11.175 -6.435 1.00 0.00 H new ATOM 0 HG CYS A 36 4.636 9.410 -8.239 1.00 0.00 H new ATOM 532 N ARG A 37 4.949 9.087 -4.324 1.00 0.00 N ATOM 533 CA ARG A 37 5.039 7.676 -3.984 1.00 0.00 C ATOM 534 C ARG A 37 3.717 7.132 -3.403 1.00 0.00 C ATOM 535 O ARG A 37 3.492 5.919 -3.401 1.00 0.00 O ATOM 536 CB ARG A 37 6.215 7.485 -3.009 1.00 0.00 C ATOM 537 CG ARG A 37 6.438 6.062 -2.525 1.00 0.00 C ATOM 538 CD ARG A 37 7.044 5.149 -3.591 1.00 0.00 C ATOM 539 NE ARG A 37 6.066 4.728 -4.600 1.00 0.00 N ATOM 540 CZ ARG A 37 6.269 3.749 -5.487 1.00 0.00 C ATOM 541 NH1 ARG A 37 7.389 3.033 -5.470 1.00 0.00 N ATOM 542 NH2 ARG A 37 5.333 3.472 -6.384 1.00 0.00 N ATOM 0 H ARG A 37 5.309 9.715 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 37 5.220 7.099 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.127 7.832 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.052 8.124 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.095 6.080 -1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.486 5.644 -2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.866 5.668 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.466 4.267 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 37 5.170 5.215 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.108 3.228 -4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.529 2.289 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.463 4.005 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.482 2.726 -7.063 1.00 0.00 H new ATOM 556 N PHE A 38 2.840 8.023 -2.922 1.00 0.00 N ATOM 557 CA PHE A 38 1.553 7.589 -2.356 1.00 0.00 C ATOM 558 C PHE A 38 0.413 7.717 -3.372 1.00 0.00 C ATOM 559 O PHE A 38 0.607 8.250 -4.468 1.00 0.00 O ATOM 560 CB PHE A 38 1.230 8.372 -1.073 1.00 0.00 C ATOM 561 CG PHE A 38 1.887 7.828 0.177 1.00 0.00 C ATOM 562 CD1 PHE A 38 3.270 7.784 0.309 1.00 0.00 C ATOM 563 CD2 PHE A 38 1.110 7.358 1.224 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.857 7.283 1.455 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.694 6.856 2.372 1.00 0.00 C ATOM 566 CZ PHE A 38 3.068 6.819 2.488 1.00 0.00 C ATOM 0 H PHE A 38 2.992 9.032 -2.912 1.00 0.00 H new ATOM 0 HA PHE A 38 1.647 6.533 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.538 9.409 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.150 8.377 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.894 8.146 -0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.033 7.384 1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.933 7.254 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.074 6.493 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.525 6.428 3.385 1.00 0.00 H new ATOM 576 N LEU A 39 -0.773 7.207 -3.001 1.00 0.00 N ATOM 577 CA LEU A 39 -1.953 7.240 -3.877 1.00 0.00 C ATOM 578 C LEU A 39 -3.161 7.882 -3.180 1.00 0.00 C ATOM 579 O LEU A 39 -3.420 7.620 -2.003 1.00 0.00 O ATOM 580 CB LEU A 39 -2.307 5.804 -4.312 1.00 0.00 C ATOM 581 CG LEU A 39 -3.505 5.661 -5.269 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.170 6.203 -6.652 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.929 4.203 -5.366 1.00 0.00 C ATOM 0 H LEU A 39 -0.939 6.766 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.710 7.848 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.432 5.365 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.510 5.215 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.332 6.246 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.034 6.089 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.909 7.259 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.326 5.650 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.777 4.115 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.098 3.607 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.216 3.841 -4.379 1.00 0.00 H new ATOM 595 N THR A 40 -3.905 8.709 -3.930 1.00 0.00 N ATOM 596 CA THR A 40 -5.103 9.377 -3.407 1.00 0.00 C ATOM 597 C THR A 40 -6.337 8.522 -3.706 1.00 0.00 C ATOM 598 O THR A 40 -6.575 8.146 -4.857 1.00 0.00 O ATOM 599 CB THR A 40 -5.257 10.777 -4.024 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.054 11.511 -3.902 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.355 11.610 -3.384 1.00 0.00 C ATOM 0 H THR A 40 -3.696 8.931 -4.903 1.00 0.00 H new ATOM 0 HA THR A 40 -5.001 9.494 -2.328 1.00 0.00 H new ATOM 0 HB THR A 40 -5.519 10.597 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.170 12.398 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.404 12.584 -3.871 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.311 11.099 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.138 11.745 -2.324 1.00 0.00 H new ATOM 609 N ILE A 41 -7.097 8.199 -2.658 1.00 0.00 N ATOM 610 CA ILE A 41 -8.294 7.363 -2.786 1.00 0.00 C ATOM 611 C ILE A 41 -9.532 8.057 -2.199 1.00 0.00 C ATOM 612 O ILE A 41 -9.425 8.857 -1.278 1.00 0.00 O ATOM 613 CB ILE A 41 -8.042 5.985 -2.090 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.045 5.169 -2.919 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.332 5.188 -1.896 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.387 4.031 -2.162 1.00 0.00 C ATOM 0 H ILE A 41 -6.904 8.506 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.493 7.199 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.634 6.185 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.561 4.761 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.269 5.837 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.104 4.240 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.022 5.758 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.791 4.997 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.697 3.506 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.839 4.430 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.151 3.338 -1.811 1.00 0.00 H new ATOM 628 N HIS A 42 -10.706 7.720 -2.742 1.00 0.00 N ATOM 629 CA HIS A 42 -11.974 8.274 -2.278 1.00 0.00 C ATOM 630 C HIS A 42 -12.866 7.144 -1.767 1.00 0.00 C ATOM 631 O HIS A 42 -12.721 5.995 -2.196 1.00 0.00 O ATOM 632 CB HIS A 42 -12.681 9.042 -3.401 1.00 0.00 C ATOM 633 CG HIS A 42 -11.917 10.231 -3.901 1.00 0.00 C ATOM 634 ND1 HIS A 42 -11.583 11.303 -3.101 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.418 10.512 -5.129 1.00 0.00 C ATOM 636 CE1 HIS A 42 -10.915 12.192 -3.814 1.00 0.00 C ATOM 637 NE2 HIS A 42 -10.802 11.735 -5.047 1.00 0.00 N ATOM 0 H HIS A 42 -10.800 7.058 -3.512 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.774 8.974 -1.467 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.862 8.363 -4.234 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.656 9.374 -3.043 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.816 11.395 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.492 9.889 -6.008 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.528 13.132 -3.450 1.00 0.00 H new ATOM 646 N ARG A 43 -13.775 7.470 -0.844 1.00 0.00 N ATOM 647 CA ARG A 43 -14.685 6.478 -0.260 1.00 0.00 C ATOM 648 C ARG A 43 -15.602 5.864 -1.322 1.00 0.00 C ATOM 649 O ARG A 43 -16.434 6.557 -1.914 1.00 0.00 O ATOM 650 CB ARG A 43 -15.518 7.128 0.854 1.00 0.00 C ATOM 651 CG ARG A 43 -16.457 6.176 1.573 1.00 0.00 C ATOM 652 CD ARG A 43 -17.249 6.893 2.653 1.00 0.00 C ATOM 653 NE ARG A 43 -18.088 5.969 3.412 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.905 6.333 4.406 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.010 7.608 4.774 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.622 5.413 5.036 1.00 0.00 N ATOM 0 H ARG A 43 -13.901 8.416 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.084 5.672 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.842 7.572 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.103 7.942 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.142 5.726 0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.883 5.363 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.563 7.401 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.874 7.661 2.197 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.048 4.980 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.463 8.324 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.638 7.869 5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.549 4.433 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.247 5.685 5.795 1.00 0.00 H new ATOM 670 N GLY A 44 -15.450 4.552 -1.540 1.00 0.00 N ATOM 671 CA GLY A 44 -16.277 3.852 -2.510 1.00 0.00 C ATOM 672 C GLY A 44 -15.565 3.523 -3.813 1.00 0.00 C ATOM 673 O GLY A 44 -16.185 2.968 -4.724 1.00 0.00 O ATOM 0 H GLY A 44 -14.768 3.965 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.638 2.926 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.153 4.462 -2.731 1.00 0.00 H new ATOM 677 N GLN A 45 -14.272 3.858 -3.918 1.00 0.00 N ATOM 678 CA GLN A 45 -13.514 3.576 -5.140 1.00 0.00 C ATOM 679 C GLN A 45 -13.004 2.142 -5.167 1.00 0.00 C ATOM 680 O GLN A 45 -12.669 1.566 -4.126 1.00 0.00 O ATOM 681 CB GLN A 45 -12.332 4.538 -5.311 1.00 0.00 C ATOM 682 CG GLN A 45 -12.746 5.979 -5.558 1.00 0.00 C ATOM 683 CD GLN A 45 -11.622 6.820 -6.137 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.548 6.936 -5.550 1.00 0.00 O ATOM 685 NE2 GLN A 45 -11.867 7.408 -7.301 1.00 0.00 N ATOM 0 H GLN A 45 -13.737 4.318 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.207 3.720 -5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.709 4.497 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.717 4.198 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.596 5.997 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.080 6.423 -4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.773 7.285 -7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.150 7.983 -7.743 1.00 0.00 H new ATOM 694 N VAL A 46 -12.931 1.584 -6.379 1.00 0.00 N ATOM 695 CA VAL A 46 -12.441 0.225 -6.587 1.00 0.00 C ATOM 696 C VAL A 46 -10.922 0.264 -6.708 1.00 0.00 C ATOM 697 O VAL A 46 -10.389 0.709 -7.725 1.00 0.00 O ATOM 698 CB VAL A 46 -13.035 -0.416 -7.868 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.704 -1.898 -7.938 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.539 -0.201 -7.949 1.00 0.00 C ATOM 0 H VAL A 46 -13.209 2.061 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.751 -0.381 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.578 0.079 -8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.132 -2.324 -8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.622 -2.029 -7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.120 -2.405 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.924 -0.662 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.019 -0.654 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.753 0.868 -7.966 1.00 0.00 H new ATOM 710 N VAL A 47 -10.228 -0.167 -5.658 1.00 0.00 N ATOM 711 CA VAL A 47 -8.768 -0.143 -5.655 1.00 0.00 C ATOM 712 C VAL A 47 -8.175 -1.539 -5.838 1.00 0.00 C ATOM 713 O VAL A 47 -8.366 -2.426 -4.999 1.00 0.00 O ATOM 714 CB VAL A 47 -8.216 0.486 -4.352 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.727 0.773 -4.481 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.973 1.758 -3.991 1.00 0.00 C ATOM 0 H VAL A 47 -10.649 -0.534 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.468 0.474 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.362 -0.235 -3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.360 1.215 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.193 -0.157 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.560 1.467 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.563 2.177 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.871 2.484 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.028 1.525 -3.845 1.00 0.00 H new ATOM 726 N TYR A 48 -7.436 -1.712 -6.936 1.00 0.00 N ATOM 727 CA TYR A 48 -6.779 -2.981 -7.240 1.00 0.00 C ATOM 728 C TYR A 48 -5.424 -3.045 -6.539 1.00 0.00 C ATOM 729 O TYR A 48 -4.570 -2.180 -6.756 1.00 0.00 O ATOM 730 CB TYR A 48 -6.578 -3.155 -8.758 1.00 0.00 C ATOM 731 CG TYR A 48 -7.796 -3.627 -9.550 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.077 -3.119 -9.329 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.645 -4.588 -10.542 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.156 -3.561 -10.071 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.720 -5.030 -11.286 1.00 0.00 C ATOM 736 CZ TYR A 48 -9.972 -4.515 -11.047 1.00 0.00 C ATOM 737 OH TYR A 48 -11.046 -4.952 -11.786 1.00 0.00 O ATOM 0 H TYR A 48 -7.278 -0.983 -7.632 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.420 -3.786 -6.881 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.249 -2.202 -9.171 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.769 -3.868 -8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.227 -2.369 -8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.665 -4.998 -10.735 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.141 -3.159 -9.886 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.578 -5.777 -12.053 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.746 -5.624 -12.433 1.00 0.00 H new ATOM 747 N VAL A 49 -5.238 -4.066 -5.700 1.00 0.00 N ATOM 748 CA VAL A 49 -3.986 -4.245 -4.962 1.00 0.00 C ATOM 749 C VAL A 49 -2.988 -5.046 -5.798 1.00 0.00 C ATOM 750 O VAL A 49 -3.224 -6.217 -6.098 1.00 0.00 O ATOM 751 CB VAL A 49 -4.219 -4.961 -3.605 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.949 -4.972 -2.763 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.361 -4.308 -2.837 1.00 0.00 C ATOM 0 H VAL A 49 -5.940 -4.783 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.581 -3.253 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.493 -5.994 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.143 -5.480 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.160 -5.496 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.634 -3.947 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.506 -4.827 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.119 -3.263 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.276 -4.367 -3.426 1.00 0.00 H new ATOM 763 N PHE A 50 -1.883 -4.401 -6.177 1.00 0.00 N ATOM 764 CA PHE A 50 -0.851 -5.045 -6.991 1.00 0.00 C ATOM 765 C PHE A 50 0.268 -5.640 -6.136 1.00 0.00 C ATOM 766 O PHE A 50 0.791 -6.709 -6.464 1.00 0.00 O ATOM 767 CB PHE A 50 -0.250 -4.051 -7.997 1.00 0.00 C ATOM 768 CG PHE A 50 -1.134 -3.738 -9.182 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.258 -2.933 -9.049 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.832 -4.254 -10.433 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.058 -2.650 -10.141 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.630 -3.974 -11.526 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.744 -3.171 -11.380 1.00 0.00 C ATOM 0 H PHE A 50 -1.680 -3.432 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.338 -5.859 -7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.022 -3.121 -7.476 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.695 -4.452 -8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.510 -2.523 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.038 -4.883 -10.555 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.928 -2.021 -10.024 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.382 -4.383 -12.494 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.368 -2.951 -12.233 1.00 0.00 H new ATOM 783 N SER A 51 0.652 -4.943 -5.060 1.00 0.00 N ATOM 784 CA SER A 51 1.735 -5.419 -4.195 1.00 0.00 C ATOM 785 C SER A 51 1.476 -5.159 -2.715 1.00 0.00 C ATOM 786 O SER A 51 0.857 -4.160 -2.346 1.00 0.00 O ATOM 787 CB SER A 51 3.053 -4.755 -4.590 1.00 0.00 C ATOM 788 OG SER A 51 2.954 -3.342 -4.521 1.00 0.00 O ATOM 0 H SER A 51 0.234 -4.059 -4.771 1.00 0.00 H new ATOM 0 HA SER A 51 1.789 -6.498 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.849 -5.099 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.326 -5.055 -5.602 1.00 0.00 H new ATOM 0 HG SER A 51 3.750 -2.938 -4.926 1.00 0.00 H new ATOM 794 N LYS A 52 1.996 -6.062 -1.875 1.00 0.00 N ATOM 795 CA LYS A 52 1.878 -5.943 -0.418 1.00 0.00 C ATOM 796 C LYS A 52 3.280 -5.890 0.186 1.00 0.00 C ATOM 797 O LYS A 52 4.047 -6.847 0.064 1.00 0.00 O ATOM 798 CB LYS A 52 1.089 -7.117 0.183 1.00 0.00 C ATOM 799 CG LYS A 52 -0.212 -7.432 -0.543 1.00 0.00 C ATOM 800 CD LYS A 52 -0.965 -8.567 0.129 1.00 0.00 C ATOM 801 CE LYS A 52 -2.233 -8.923 -0.631 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.975 -10.037 0.018 1.00 0.00 N ATOM 0 H LYS A 52 2.506 -6.889 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 52 1.331 -5.029 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.720 -8.006 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.865 -6.893 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.840 -6.542 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.003 -7.699 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.321 -9.444 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.220 -8.282 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.877 -8.046 -0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.977 -9.204 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.981 -10.864 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.510 -10.288 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.953 -9.739 0.207 1.00 0.00 H new ATOM 816 N LEU A 53 3.625 -4.760 0.811 1.00 0.00 N ATOM 817 CA LEU A 53 4.959 -4.580 1.398 1.00 0.00 C ATOM 818 C LEU A 53 5.159 -5.440 2.646 1.00 0.00 C ATOM 819 O LEU A 53 4.195 -5.776 3.334 1.00 0.00 O ATOM 820 CB LEU A 53 5.189 -3.100 1.731 1.00 0.00 C ATOM 821 CG LEU A 53 4.979 -2.116 0.566 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.068 -0.680 1.062 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.986 -2.359 -0.555 1.00 0.00 C ATOM 0 H LEU A 53 3.003 -3.959 0.924 1.00 0.00 H new ATOM 0 HA LEU A 53 5.691 -4.906 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.519 -2.821 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.207 -2.984 2.102 1.00 0.00 H new ATOM 0 HG LEU A 53 3.982 -2.285 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.917 0.004 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.300 -0.507 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.051 -0.507 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.811 -1.648 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.997 -2.229 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.870 -3.374 -0.934 1.00 0.00 H new ATOM 835 N LYS A 54 6.422 -5.798 2.921 1.00 0.00 N ATOM 836 CA LYS A 54 6.765 -6.628 4.085 1.00 0.00 C ATOM 837 C LYS A 54 7.846 -5.978 4.950 1.00 0.00 C ATOM 838 O LYS A 54 7.775 -6.042 6.180 1.00 0.00 O ATOM 839 CB LYS A 54 7.249 -8.013 3.645 1.00 0.00 C ATOM 840 CG LYS A 54 6.184 -8.865 2.977 1.00 0.00 C ATOM 841 CD LYS A 54 6.737 -10.222 2.566 1.00 0.00 C ATOM 842 CE LYS A 54 6.891 -11.166 3.753 1.00 0.00 C ATOM 843 NZ LYS A 54 7.431 -12.492 3.343 1.00 0.00 N ATOM 0 H LYS A 54 7.224 -5.525 2.352 1.00 0.00 H new ATOM 0 HA LYS A 54 5.855 -6.726 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.085 -7.891 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.630 -8.546 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.345 -9.003 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.798 -8.346 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.074 -10.674 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.705 -10.087 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.555 -10.716 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.924 -11.302 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.520 -13.104 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.785 -12.933 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.366 -12.366 2.905 1.00 0.00 H new ATOM 857 N GLY A 55 8.848 -5.371 4.297 1.00 0.00 N ATOM 858 CA GLY A 55 9.948 -4.726 5.012 1.00 0.00 C ATOM 859 C GLY A 55 9.488 -3.598 5.916 1.00 0.00 C ATOM 860 O GLY A 55 9.165 -2.513 5.433 1.00 0.00 O ATOM 0 H GLY A 55 8.915 -5.316 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.472 -5.472 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.664 -4.336 4.289 1.00 0.00 H new ATOM 864 N ARG A 56 9.457 -3.882 7.236 1.00 0.00 N ATOM 865 CA ARG A 56 9.029 -2.934 8.295 1.00 0.00 C ATOM 866 C ARG A 56 7.773 -2.125 7.919 1.00 0.00 C ATOM 867 O ARG A 56 7.566 -1.008 8.403 1.00 0.00 O ATOM 868 CB ARG A 56 10.195 -2.019 8.772 1.00 0.00 C ATOM 869 CG ARG A 56 10.988 -1.293 7.683 1.00 0.00 C ATOM 870 CD ARG A 56 10.363 0.042 7.293 1.00 0.00 C ATOM 871 NE ARG A 56 11.144 0.745 6.269 1.00 0.00 N ATOM 872 CZ ARG A 56 12.336 1.324 6.478 1.00 0.00 C ATOM 873 NH1 ARG A 56 12.890 1.338 7.688 1.00 0.00 N ATOM 874 NH2 ARG A 56 12.970 1.902 5.468 1.00 0.00 N ATOM 0 H ARG A 56 9.733 -4.792 7.605 1.00 0.00 H new ATOM 0 HA ARG A 56 8.739 -3.553 9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.785 -1.271 9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.890 -2.627 9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.007 -1.125 8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.054 -1.930 6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.352 -0.127 6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.277 0.673 8.178 1.00 0.00 H new ATOM 0 HE ARG A 56 10.752 0.797 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.408 0.904 8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.797 1.783 7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.551 1.905 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.877 2.344 5.621 1.00 0.00 H new ATOM 888 N GLY A 57 6.933 -2.718 7.064 1.00 0.00 N ATOM 889 CA GLY A 57 5.705 -2.075 6.633 1.00 0.00 C ATOM 890 C GLY A 57 4.711 -3.069 6.065 1.00 0.00 C ATOM 891 O GLY A 57 4.211 -2.886 4.953 1.00 0.00 O ATOM 0 H GLY A 57 7.089 -3.642 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.254 -1.553 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.935 -1.322 5.879 1.00 0.00 H new ATOM 895 N ARG A 58 4.428 -4.124 6.837 1.00 0.00 N ATOM 896 CA ARG A 58 3.485 -5.168 6.417 1.00 0.00 C ATOM 897 C ARG A 58 2.040 -4.669 6.456 1.00 0.00 C ATOM 898 O ARG A 58 1.145 -5.302 5.890 1.00 0.00 O ATOM 899 CB ARG A 58 3.634 -6.443 7.270 1.00 0.00 C ATOM 900 CG ARG A 58 3.674 -6.203 8.773 1.00 0.00 C ATOM 901 CD ARG A 58 5.103 -6.246 9.308 1.00 0.00 C ATOM 902 NE ARG A 58 5.694 -7.589 9.232 1.00 0.00 N ATOM 903 CZ ARG A 58 5.340 -8.625 10.004 1.00 0.00 C ATOM 904 NH1 ARG A 58 4.418 -8.492 10.955 1.00 0.00 N ATOM 905 NH2 ARG A 58 5.924 -9.803 9.827 1.00 0.00 N ATOM 0 H ARG A 58 4.839 -4.278 7.758 1.00 0.00 H new ATOM 0 HA ARG A 58 3.731 -5.419 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.804 -7.113 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.548 -6.957 6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.228 -5.235 9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.072 -6.957 9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.720 -5.549 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.109 -5.908 10.344 1.00 0.00 H new ATOM 0 HE ARG A 58 6.428 -7.744 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.968 -7.589 11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.162 -9.293 11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.638 -9.915 9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.660 -10.596 10.411 1.00 0.00 H new ATOM 919 N LEU A 59 1.827 -3.527 7.109 1.00 0.00 N ATOM 920 CA LEU A 59 0.499 -2.928 7.207 1.00 0.00 C ATOM 921 C LEU A 59 0.262 -1.956 6.047 1.00 0.00 C ATOM 922 O LEU A 59 -0.794 -1.324 5.960 1.00 0.00 O ATOM 923 CB LEU A 59 0.340 -2.196 8.547 1.00 0.00 C ATOM 924 CG LEU A 59 0.466 -3.071 9.804 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.546 -2.201 11.049 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.705 -4.042 9.916 1.00 0.00 C ATOM 0 H LEU A 59 2.561 -2.997 7.579 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.242 -3.726 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.090 -1.407 8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.636 -1.710 8.561 1.00 0.00 H new ATOM 0 HG LEU A 59 1.384 -3.652 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.635 -2.835 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.417 -1.549 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.356 -1.595 11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.590 -4.649 10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.638 -3.482 9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.725 -4.691 9.040 1.00 0.00 H new ATOM 938 N PHE A 60 1.259 -1.844 5.160 1.00 0.00 N ATOM 939 CA PHE A 60 1.173 -0.952 4.004 1.00 0.00 C ATOM 940 C PHE A 60 1.123 -1.738 2.695 1.00 0.00 C ATOM 941 O PHE A 60 2.004 -2.558 2.402 1.00 0.00 O ATOM 942 CB PHE A 60 2.358 0.027 3.978 1.00 0.00 C ATOM 943 CG PHE A 60 2.279 1.139 4.999 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.456 0.890 6.355 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.029 2.441 4.594 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.382 1.914 7.279 1.00 0.00 C ATOM 947 CE2 PHE A 60 1.954 3.469 5.515 1.00 0.00 C ATOM 948 CZ PHE A 60 2.131 3.204 6.859 1.00 0.00 C ATOM 0 H PHE A 60 2.135 -2.363 5.224 1.00 0.00 H new ATOM 0 HA PHE A 60 0.247 -0.385 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.279 -0.533 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.426 0.469 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.654 -0.117 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.891 2.655 3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.521 1.705 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.757 4.478 5.184 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.073 4.006 7.580 1.00 0.00 H new ATOM 958 N TRP A 61 0.082 -1.468 1.909 1.00 0.00 N ATOM 959 CA TRP A 61 -0.113 -2.122 0.617 1.00 0.00 C ATOM 960 C TRP A 61 0.099 -1.119 -0.514 1.00 0.00 C ATOM 961 O TRP A 61 0.503 0.018 -0.266 1.00 0.00 O ATOM 962 CB TRP A 61 -1.520 -2.743 0.544 1.00 0.00 C ATOM 963 CG TRP A 61 -1.707 -3.990 1.385 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.738 -4.727 2.017 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.951 -4.635 1.694 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.300 -5.791 2.673 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.656 -5.752 2.500 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.287 -4.378 1.367 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.644 -6.607 2.981 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -5.267 -5.227 1.847 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.941 -6.328 2.647 1.00 0.00 C ATOM 0 H TRP A 61 -0.645 -0.794 2.148 1.00 0.00 H new ATOM 0 HA TRP A 61 0.619 -2.922 0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.249 -1.996 0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.742 -2.986 -0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.318 -4.501 2.000 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.790 -6.497 3.204 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.548 -3.531 0.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.395 -7.460 3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.301 -5.037 1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.730 -6.971 3.008 1.00 0.00 H new ATOM 982 N GLY A 62 -0.162 -1.544 -1.751 1.00 0.00 N ATOM 983 CA GLY A 62 0.019 -0.664 -2.892 1.00 0.00 C ATOM 984 C GLY A 62 -0.748 -1.118 -4.113 1.00 0.00 C ATOM 985 O GLY A 62 -0.984 -2.314 -4.293 1.00 0.00 O ATOM 0 H GLY A 62 -0.495 -2.480 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.300 0.343 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.080 -0.607 -3.136 1.00 0.00 H new ATOM 989 N GLY A 63 -1.133 -0.153 -4.948 1.00 0.00 N ATOM 990 CA GLY A 63 -1.877 -0.452 -6.156 1.00 0.00 C ATOM 991 C GLY A 63 -2.317 0.797 -6.897 1.00 0.00 C ATOM 992 O GLY A 63 -1.663 1.847 -6.807 1.00 0.00 O ATOM 0 H GLY A 63 -0.939 0.838 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.261 -1.063 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.755 -1.046 -5.900 1.00 0.00 H new ATOM 996 N SER A 64 -3.425 0.674 -7.633 1.00 0.00 N ATOM 997 CA SER A 64 -3.975 1.787 -8.408 1.00 0.00 C ATOM 998 C SER A 64 -5.498 1.823 -8.291 1.00 0.00 C ATOM 999 O SER A 64 -6.107 0.878 -7.786 1.00 0.00 O ATOM 1000 CB SER A 64 -3.559 1.666 -9.878 1.00 0.00 C ATOM 1001 OG SER A 64 -3.956 2.804 -10.620 1.00 0.00 O ATOM 0 H SER A 64 -3.961 -0.191 -7.708 1.00 0.00 H new ATOM 0 HA SER A 64 -3.576 2.718 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.478 1.546 -9.943 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.006 0.772 -10.312 1.00 0.00 H new ATOM 0 HG SER A 64 -4.749 2.586 -11.154 1.00 0.00 H new ATOM 1007 N VAL A 65 -6.106 2.918 -8.757 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.561 3.079 -8.698 1.00 0.00 C ATOM 1009 C VAL A 65 -8.232 2.896 -10.059 1.00 0.00 C ATOM 1010 O VAL A 65 -7.955 3.632 -11.009 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.983 4.461 -8.124 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.964 4.449 -6.607 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.114 5.589 -8.672 1.00 0.00 C ATOM 0 H VAL A 65 -5.613 3.705 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.899 2.290 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.006 4.650 -8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.263 5.428 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.658 3.692 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.958 4.218 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.440 6.539 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.073 5.410 -8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.207 5.626 -9.757 1.00 0.00 H new ATOM 1023 N GLN A 66 -9.148 1.930 -10.126 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.908 1.669 -11.345 1.00 0.00 C ATOM 1025 C GLN A 66 -11.208 2.473 -11.296 1.00 0.00 C ATOM 1026 O GLN A 66 -11.767 2.840 -12.335 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.204 0.169 -11.505 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.021 -0.159 -12.750 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.112 -1.642 -13.036 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -10.114 -2.287 -13.352 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -12.317 -2.188 -12.926 1.00 0.00 N ATOM 0 H GLN A 66 -9.381 1.314 -9.347 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.317 1.976 -12.208 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.262 -0.377 -11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.741 -0.184 -10.624 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.027 0.243 -12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.577 0.343 -13.610 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.116 -1.612 -12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.444 -3.184 -13.107 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.170 4.881 -14.483 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.681 3.690 -13.790 1.00 0.00 C ATOM 1141 C ALA A 74 -2.161 3.577 -13.901 1.00 0.00 C ATOM 1142 O ALA A 74 -1.558 2.652 -13.349 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.347 2.434 -14.334 1.00 0.00 C ATOM 0 HA ALA A 74 -3.941 3.789 -12.736 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.967 1.561 -13.803 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.426 2.504 -14.192 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.126 2.336 -15.397 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.550 4.532 -14.612 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.102 4.558 -14.798 1.00 0.00 C ATOM 1151 C ALA A 75 0.607 4.954 -13.508 1.00 0.00 C ATOM 1152 O ALA A 75 1.677 4.428 -13.193 1.00 0.00 O ATOM 1153 CB ALA A 75 0.267 5.517 -15.918 1.00 0.00 C ATOM 0 H ALA A 75 -2.043 5.299 -15.069 1.00 0.00 H new ATOM 0 HA ALA A 75 0.224 3.554 -15.070 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.349 5.527 -16.047 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.205 5.193 -16.845 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.078 6.520 -15.667 1.00 0.00 H new ATOM 1159 N ARG A 76 -0.005 5.881 -12.766 1.00 0.00 N ATOM 1160 CA ARG A 76 0.557 6.350 -11.501 1.00 0.00 C ATOM 1161 C ARG A 76 0.285 5.344 -10.377 1.00 0.00 C ATOM 1162 O ARG A 76 -0.806 5.296 -9.800 1.00 0.00 O ATOM 1163 CB ARG A 76 0.027 7.755 -11.146 1.00 0.00 C ATOM 1164 CG ARG A 76 -1.487 7.914 -11.240 1.00 0.00 C ATOM 1165 CD ARG A 76 -1.926 9.329 -10.899 1.00 0.00 C ATOM 1166 NE ARG A 76 -1.389 10.317 -11.838 1.00 0.00 N ATOM 1167 CZ ARG A 76 -1.622 11.631 -11.766 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -2.384 12.139 -10.800 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -1.088 12.444 -12.667 1.00 0.00 N ATOM 0 H ARG A 76 -0.890 6.320 -13.021 1.00 0.00 H new ATOM 0 HA ARG A 76 1.638 6.430 -11.618 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.341 8.000 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.496 8.482 -11.809 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.817 7.663 -12.248 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.970 7.210 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.015 9.381 -10.903 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.599 9.575 -9.889 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.798 9.979 -12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.799 11.523 -10.101 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.552 13.144 -10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.502 12.066 -13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.263 13.448 -12.616 1.00 0.00 H new ATOM 1183 N LEU A 77 1.298 4.529 -10.091 1.00 0.00 N ATOM 1184 CA LEU A 77 1.212 3.501 -9.059 1.00 0.00 C ATOM 1185 C LEU A 77 1.692 4.064 -7.722 1.00 0.00 C ATOM 1186 O LEU A 77 2.742 4.708 -7.662 1.00 0.00 O ATOM 1187 CB LEU A 77 2.064 2.295 -9.483 1.00 0.00 C ATOM 1188 CG LEU A 77 1.789 0.973 -8.753 1.00 0.00 C ATOM 1189 CD1 LEU A 77 0.392 0.453 -9.068 1.00 0.00 C ATOM 1190 CD2 LEU A 77 2.825 -0.064 -9.152 1.00 0.00 C ATOM 0 H LEU A 77 2.199 4.563 -10.568 1.00 0.00 H new ATOM 0 HA LEU A 77 0.177 3.180 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.918 2.132 -10.551 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.114 2.552 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 77 1.852 1.158 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.225 -0.484 -8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.349 1.187 -8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.300 0.284 -10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.623 -0.999 -8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.777 -0.231 -10.228 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.819 0.294 -8.885 1.00 0.00 H new ATOM 1202 N GLY A 78 0.915 3.837 -6.654 1.00 0.00 N ATOM 1203 CA GLY A 78 1.294 4.359 -5.343 1.00 0.00 C ATOM 1204 C GLY A 78 0.969 3.420 -4.198 1.00 0.00 C ATOM 1205 O GLY A 78 0.473 2.315 -4.417 1.00 0.00 O ATOM 0 H GLY A 78 0.043 3.309 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.364 4.566 -5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.785 5.309 -5.178 1.00 0.00 H new ATOM 1209 N TYR A 79 1.258 3.869 -2.971 1.00 0.00 N ATOM 1210 CA TYR A 79 1.001 3.073 -1.770 1.00 0.00 C ATOM 1211 C TYR A 79 -0.123 3.680 -0.930 1.00 0.00 C ATOM 1212 O TYR A 79 -0.405 4.879 -1.025 1.00 0.00 O ATOM 1213 CB TYR A 79 2.280 2.937 -0.924 1.00 0.00 C ATOM 1214 CG TYR A 79 3.410 2.180 -1.607 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.208 0.919 -2.164 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.682 2.729 -1.691 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.234 0.235 -2.782 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.715 2.048 -2.308 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.485 0.803 -2.852 1.00 0.00 C ATOM 1220 OH TYR A 79 6.513 0.125 -3.466 1.00 0.00 O ATOM 0 H TYR A 79 1.671 4.783 -2.786 1.00 0.00 H new ATOM 0 HA TYR A 79 0.686 2.081 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.634 3.934 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.032 2.430 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.228 0.468 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.868 3.705 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.056 -0.741 -3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.699 2.490 -2.363 1.00 0.00 H new ATOM 0 HH TYR A 79 7.329 0.666 -3.430 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.764 2.832 -0.117 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.872 3.247 0.747 1.00 0.00 C ATOM 1232 C PHE A 80 -1.986 2.320 1.976 1.00 0.00 C ATOM 1233 O PHE A 80 -1.527 1.176 1.917 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.195 3.258 -0.060 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.544 1.949 -0.738 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.185 0.928 -0.044 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.231 1.746 -2.072 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.498 -0.263 -0.668 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.544 0.556 -2.699 1.00 0.00 C ATOM 1240 CZ PHE A 80 -4.178 -0.450 -1.996 1.00 0.00 C ATOM 0 H PHE A 80 -0.529 1.842 -0.041 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.675 4.256 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.010 3.530 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.133 4.038 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.441 1.069 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.736 2.528 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.993 -1.048 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.293 0.412 -3.739 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.423 -1.381 -2.486 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.602 2.780 3.109 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.757 1.947 4.311 1.00 0.00 C ATOM 1252 C PRO A 81 -3.802 0.851 4.108 1.00 0.00 C ATOM 1253 O PRO A 81 -4.873 1.102 3.557 1.00 0.00 O ATOM 1254 CB PRO A 81 -3.229 2.933 5.395 1.00 0.00 C ATOM 1255 CG PRO A 81 -3.082 4.296 4.800 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.194 4.116 3.317 1.00 0.00 C ATOM 0 HA PRO A 81 -1.830 1.434 4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.264 2.739 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.630 2.835 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.856 4.969 5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.122 4.737 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.230 4.157 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.651 4.889 2.773 1.00 0.00 H new ATOM 1264 N SER A 82 -3.484 -0.366 4.551 1.00 0.00 N ATOM 1265 CA SER A 82 -4.394 -1.508 4.412 1.00 0.00 C ATOM 1266 C SER A 82 -5.675 -1.311 5.230 1.00 0.00 C ATOM 1267 O SER A 82 -6.712 -1.908 4.929 1.00 0.00 O ATOM 1268 CB SER A 82 -3.689 -2.794 4.852 1.00 0.00 C ATOM 1269 OG SER A 82 -3.371 -2.755 6.234 1.00 0.00 O ATOM 0 H SER A 82 -2.601 -0.588 5.011 1.00 0.00 H new ATOM 0 HA SER A 82 -4.675 -1.585 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.329 -3.652 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.778 -2.930 4.270 1.00 0.00 H new ATOM 0 HG SER A 82 -2.512 -2.301 6.359 1.00 0.00 H new ATOM 1275 N SER A 83 -5.580 -0.476 6.267 1.00 0.00 N ATOM 1276 CA SER A 83 -6.706 -0.193 7.158 1.00 0.00 C ATOM 1277 C SER A 83 -7.851 0.561 6.471 1.00 0.00 C ATOM 1278 O SER A 83 -8.968 0.581 6.996 1.00 0.00 O ATOM 1279 CB SER A 83 -6.221 0.607 8.369 1.00 0.00 C ATOM 1280 OG SER A 83 -5.242 -0.112 9.098 1.00 0.00 O ATOM 0 H SER A 83 -4.724 0.021 6.512 1.00 0.00 H new ATOM 0 HA SER A 83 -7.105 -1.158 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.805 1.558 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.066 0.837 9.018 1.00 0.00 H new ATOM 0 HG SER A 83 -4.948 0.422 9.865 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.589 1.186 5.314 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.645 1.932 4.616 1.00 0.00 C ATOM 1288 C ILE A 84 -9.350 1.085 3.555 1.00 0.00 C ATOM 1289 O ILE A 84 -10.339 1.529 2.969 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.133 3.244 3.973 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.209 2.969 2.784 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.425 4.097 5.018 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.999 4.173 1.898 1.00 0.00 C ATOM 0 H ILE A 84 -6.680 1.191 4.852 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.365 2.194 5.391 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.996 3.791 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.243 2.627 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.627 2.157 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.069 5.017 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.121 4.340 5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.579 3.545 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.334 3.908 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.958 4.502 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.553 4.979 2.480 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.844 -0.128 3.304 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.452 -1.007 2.300 1.00 0.00 C ATOM 1307 C VAL A 85 -9.872 -2.344 2.899 1.00 0.00 C ATOM 1308 O VAL A 85 -9.480 -2.688 4.017 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.510 -1.262 1.094 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.180 0.039 0.378 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.234 -1.978 1.526 1.00 0.00 C ATOM 0 H VAL A 85 -8.028 -0.519 3.774 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.338 -0.482 1.943 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.038 -1.913 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.518 -0.166 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.099 0.497 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.685 0.720 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.596 -2.141 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.703 -1.367 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.489 -2.938 1.974 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.668 -3.089 2.134 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.151 -4.394 2.561 1.00 0.00 C ATOM 1323 C ARG A 86 -11.150 -5.375 1.391 1.00 0.00 C ATOM 1324 O ARG A 86 -11.870 -5.183 0.404 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.558 -4.270 3.153 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.061 -5.543 3.818 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.411 -5.326 4.477 1.00 0.00 C ATOM 1328 NE ARG A 86 -14.909 -6.539 5.125 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.073 -6.622 5.777 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -16.878 -5.568 5.877 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -16.435 -7.771 6.331 1.00 0.00 N ATOM 0 H ARG A 86 -10.992 -2.805 1.209 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.481 -4.777 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.564 -3.463 3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.251 -3.987 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.140 -6.337 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.339 -5.875 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.329 -4.529 5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.130 -4.994 3.728 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.330 -7.377 5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.610 -4.680 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.763 -5.648 6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.826 -8.586 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.322 -7.840 6.830 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.339 -6.427 1.517 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.236 -7.457 0.488 1.00 0.00 C ATOM 1347 C GLU A 87 -11.432 -8.399 0.557 1.00 0.00 C ATOM 1348 O GLU A 87 -11.760 -8.921 1.626 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.935 -8.246 0.648 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.801 -7.742 -0.228 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.575 -8.637 -0.168 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -6.720 -9.861 -0.373 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.469 -8.114 0.068 1.00 0.00 O ATOM 0 H GLU A 87 -9.741 -6.586 2.328 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.230 -6.969 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.622 -8.205 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.125 -9.293 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.146 -7.674 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.526 -6.734 0.084 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.085 -8.602 -0.589 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.257 -9.470 -0.660 1.00 0.00 C ATOM 1362 C ASP A 88 -13.073 -10.585 -1.685 1.00 0.00 C ATOM 1363 O ASP A 88 -13.551 -11.703 -1.476 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.502 -8.650 -1.008 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.812 -7.588 0.030 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -15.061 -7.953 1.200 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -14.806 -6.390 -0.325 1.00 0.00 O ATOM 0 H ASP A 88 -11.821 -8.177 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.384 -9.930 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.359 -8.174 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.357 -9.319 -1.104 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.399 -10.276 -2.797 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.186 -11.271 -3.857 1.00 0.00 C ATOM 1374 C GLN A 89 -10.760 -11.217 -4.413 1.00 0.00 C ATOM 1375 O GLN A 89 -10.229 -10.137 -4.661 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.207 -11.040 -4.982 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.233 -12.129 -6.048 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.809 -11.622 -7.414 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.770 -12.229 -7.971 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.412 -10.699 -7.964 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.996 -9.359 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.326 -12.263 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.201 -10.957 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.990 -10.085 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.574 -12.943 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.239 -12.542 -6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.207 -10.260 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.116 -10.374 -8.884 1.00 0.00 H new ATOM 1389 N THR A 90 -10.160 -12.398 -4.620 1.00 0.00 N ATOM 1390 CA THR A 90 -8.803 -12.502 -5.171 1.00 0.00 C ATOM 1391 C THR A 90 -8.883 -12.798 -6.670 1.00 0.00 C ATOM 1392 O THR A 90 -9.537 -13.757 -7.085 1.00 0.00 O ATOM 1393 CB THR A 90 -8.005 -13.593 -4.443 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.056 -13.399 -3.042 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.541 -13.651 -4.834 1.00 0.00 C ATOM 0 H THR A 90 -10.596 -13.297 -4.413 1.00 0.00 H new ATOM 0 HA THR A 90 -8.284 -11.555 -5.023 1.00 0.00 H new ATOM 0 HB THR A 90 -8.478 -14.529 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.619 -12.552 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.047 -14.447 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.457 -13.850 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.065 -12.698 -4.605 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.232 -11.954 -7.468 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.247 -12.082 -8.927 1.00 0.00 C ATOM 1405 C LEU A 91 -7.162 -13.034 -9.425 1.00 0.00 C ATOM 1406 O LEU A 91 -7.400 -13.825 -10.342 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.031 -10.701 -9.566 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.889 -9.559 -8.998 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.269 -8.214 -9.333 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.319 -9.631 -9.513 1.00 0.00 C ATOM 0 H LEU A 91 -7.682 -11.166 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.216 -12.490 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.981 -10.431 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.228 -10.781 -10.635 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.920 -9.671 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.888 -7.416 -8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.270 -8.156 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.203 -8.103 -10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.899 -8.810 -9.092 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.318 -9.555 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.765 -10.580 -9.216 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.977 -12.950 -8.821 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.849 -13.802 -9.209 1.00 0.00 C ATOM 1424 C LYS A 92 -3.868 -13.983 -8.031 1.00 0.00 C ATOM 1425 O LYS A 92 -3.544 -13.007 -7.357 1.00 0.00 O ATOM 1426 CB LYS A 92 -4.134 -13.194 -10.431 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.227 -14.183 -11.166 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.104 -13.879 -12.659 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.390 -14.189 -13.419 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.261 -13.897 -14.873 1.00 0.00 N ATOM 0 H LYS A 92 -5.771 -12.301 -8.061 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.228 -14.788 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.882 -12.814 -11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.539 -12.341 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.236 -14.165 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.618 -15.192 -11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.849 -12.828 -12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.285 -14.462 -13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.649 -15.239 -13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.208 -13.602 -13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.156 -14.121 -15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.039 -12.890 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.497 -14.476 -15.277 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.399 -15.242 -7.748 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.473 -15.527 -6.631 1.00 0.00 C ATOM 1446 C PRO A 93 -1.239 -14.627 -6.585 1.00 0.00 C ATOM 1447 O PRO A 93 -0.559 -14.430 -7.596 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.035 -16.970 -6.885 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.165 -17.583 -7.627 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.751 -16.488 -8.474 1.00 0.00 C ATOM 0 HA PRO A 93 -2.973 -15.354 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.113 -17.007 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.844 -17.496 -5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.821 -18.412 -8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.910 -17.985 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.332 -16.495 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.831 -16.598 -8.577 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.952 -14.112 -5.388 1.00 0.00 N ATOM 1459 CA GLY A 94 0.209 -13.263 -5.178 1.00 0.00 C ATOM 1460 C GLY A 94 1.229 -13.960 -4.308 1.00 0.00 C ATOM 1461 O GLY A 94 1.264 -13.759 -3.091 1.00 0.00 O ATOM 0 H GLY A 94 -1.513 -14.272 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.657 -13.007 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.098 -12.328 -4.710 1.00 0.00 H new ATOM 1465 N LYS A 95 2.033 -14.812 -4.936 1.00 0.00 N ATOM 1466 CA LYS A 95 3.045 -15.595 -4.227 1.00 0.00 C ATOM 1467 C LYS A 95 4.446 -15.451 -4.841 1.00 0.00 C ATOM 1468 O LYS A 95 5.226 -16.409 -4.866 1.00 0.00 O ATOM 1469 CB LYS A 95 2.615 -17.071 -4.179 1.00 0.00 C ATOM 1470 CG LYS A 95 1.869 -17.533 -5.429 1.00 0.00 C ATOM 1471 CD LYS A 95 1.504 -19.017 -5.397 1.00 0.00 C ATOM 1472 CE LYS A 95 0.301 -19.314 -4.501 1.00 0.00 C ATOM 1473 NZ LYS A 95 0.621 -19.196 -3.050 1.00 0.00 N ATOM 0 H LYS A 95 2.004 -14.980 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 95 3.116 -15.202 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.499 -17.694 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.978 -17.227 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.959 -16.944 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.485 -17.336 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.288 -19.355 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.362 -19.590 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.509 -18.627 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.061 -20.321 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.148 -19.961 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.650 -19.268 -2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.288 -18.277 -2.695 1.00 0.00 H new ATOM 1487 N VAL A 96 4.768 -14.242 -5.316 1.00 0.00 N ATOM 1488 CA VAL A 96 6.083 -13.963 -5.908 1.00 0.00 C ATOM 1489 C VAL A 96 6.728 -12.757 -5.216 1.00 0.00 C ATOM 1490 O VAL A 96 6.214 -11.643 -5.292 1.00 0.00 O ATOM 1491 CB VAL A 96 5.990 -13.702 -7.438 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.368 -13.445 -8.040 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.318 -14.871 -8.146 1.00 0.00 C ATOM 0 H VAL A 96 4.137 -13.441 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 96 6.701 -14.848 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 96 5.382 -12.809 -7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.270 -13.266 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.815 -12.571 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.005 -14.314 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.264 -14.666 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.897 -15.779 -7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.311 -15.005 -7.751 1.00 0.00 H new ATOM 1503 N ASP A 97 7.851 -12.996 -4.533 1.00 0.00 N ATOM 1504 CA ASP A 97 8.563 -11.936 -3.814 1.00 0.00 C ATOM 1505 C ASP A 97 9.535 -11.196 -4.736 1.00 0.00 C ATOM 1506 O ASP A 97 10.457 -11.797 -5.295 1.00 0.00 O ATOM 1507 CB ASP A 97 9.311 -12.534 -2.612 1.00 0.00 C ATOM 1508 CG ASP A 97 9.893 -11.480 -1.682 1.00 0.00 C ATOM 1509 OD1 ASP A 97 10.822 -10.756 -2.100 1.00 0.00 O ATOM 1510 OD2 ASP A 97 9.417 -11.381 -0.531 1.00 0.00 O ATOM 0 H ASP A 97 8.287 -13.915 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 97 7.831 -11.212 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.629 -13.170 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.116 -13.173 -2.975 1.00 0.00 H new ATOM 1515 N VAL A 98 9.315 -9.883 -4.881 1.00 0.00 N ATOM 1516 CA VAL A 98 10.161 -9.031 -5.726 1.00 0.00 C ATOM 1517 C VAL A 98 10.624 -7.801 -4.938 1.00 0.00 C ATOM 1518 O VAL A 98 9.817 -7.144 -4.285 1.00 0.00 O ATOM 1519 CB VAL A 98 9.409 -8.558 -7.005 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.347 -7.810 -7.947 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.757 -9.731 -7.727 1.00 0.00 C ATOM 0 H VAL A 98 8.553 -9.385 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 98 11.020 -9.628 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 98 8.622 -7.873 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.796 -7.491 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.753 -6.936 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.163 -8.468 -8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.240 -9.369 -8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.523 -10.449 -8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.041 -10.215 -7.062 1.00 0.00 H new ATOM 1531 N LYS A 99 11.922 -7.494 -5.009 1.00 0.00 N ATOM 1532 CA LYS A 99 12.485 -6.335 -4.304 1.00 0.00 C ATOM 1533 C LYS A 99 12.263 -5.051 -5.111 1.00 0.00 C ATOM 1534 O LYS A 99 12.014 -5.108 -6.318 1.00 0.00 O ATOM 1535 CB LYS A 99 13.988 -6.531 -4.025 1.00 0.00 C ATOM 1536 CG LYS A 99 14.845 -6.751 -5.263 1.00 0.00 C ATOM 1537 CD LYS A 99 15.170 -8.223 -5.479 1.00 0.00 C ATOM 1538 CE LYS A 99 16.022 -8.429 -6.722 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.342 -9.865 -6.944 1.00 0.00 N ATOM 0 H LYS A 99 12.604 -8.030 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 99 11.968 -6.244 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.361 -5.656 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.111 -7.385 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.324 -6.363 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.772 -6.186 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.696 -8.612 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.244 -8.791 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.496 -8.036 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.948 -7.862 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.924 -9.963 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.866 -10.234 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.460 -10.403 -7.062 1.00 0.00 H new ATOM 1553 N THR A 100 12.356 -3.897 -4.439 1.00 0.00 N ATOM 1554 CA THR A 100 12.165 -2.601 -5.103 1.00 0.00 C ATOM 1555 C THR A 100 13.503 -1.903 -5.343 1.00 0.00 C ATOM 1556 O THR A 100 14.389 -1.927 -4.487 1.00 0.00 O ATOM 1557 CB THR A 100 11.248 -1.690 -4.275 1.00 0.00 C ATOM 1558 OG1 THR A 100 11.818 -1.420 -3.007 1.00 0.00 O ATOM 1559 CG2 THR A 100 9.872 -2.276 -4.041 1.00 0.00 C ATOM 0 H THR A 100 12.561 -3.834 -3.442 1.00 0.00 H new ATOM 0 HA THR A 100 11.694 -2.795 -6.066 1.00 0.00 H new ATOM 0 HB THR A 100 11.143 -0.779 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.730 -0.465 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.276 -1.581 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.383 -2.449 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.965 -3.221 -3.505 1.00 0.00 H new ATOM 1567 N ASP A 101 13.631 -1.281 -6.518 1.00 0.00 N ATOM 1568 CA ASP A 101 14.849 -0.564 -6.896 1.00 0.00 C ATOM 1569 C ASP A 101 14.773 0.903 -6.467 1.00 0.00 C ATOM 1570 O ASP A 101 13.817 1.312 -5.803 1.00 0.00 O ATOM 1571 CB ASP A 101 15.070 -0.665 -8.408 1.00 0.00 C ATOM 1572 CG ASP A 101 15.238 -2.099 -8.877 1.00 0.00 C ATOM 1573 OD1 ASP A 101 16.197 -2.763 -8.431 1.00 0.00 O ATOM 1574 OD2 ASP A 101 14.410 -2.557 -9.692 1.00 0.00 O ATOM 0 H ASP A 101 12.899 -1.261 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 101 15.693 -1.025 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.224 -0.213 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.955 -0.091 -8.682 1.00 0.00 H new ATOM 1579 N LYS A 102 15.788 1.689 -6.847 1.00 0.00 N ATOM 1580 CA LYS A 102 15.844 3.111 -6.499 1.00 0.00 C ATOM 1581 C LYS A 102 14.969 3.959 -7.428 1.00 0.00 C ATOM 1582 O LYS A 102 14.638 5.100 -7.101 1.00 0.00 O ATOM 1583 CB LYS A 102 17.293 3.624 -6.545 1.00 0.00 C ATOM 1584 CG LYS A 102 17.949 3.515 -7.923 1.00 0.00 C ATOM 1585 CD LYS A 102 19.295 4.235 -7.999 1.00 0.00 C ATOM 1586 CE LYS A 102 19.145 5.748 -8.167 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.672 6.421 -6.923 1.00 0.00 N ATOM 0 H LYS A 102 16.582 1.362 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 102 15.457 3.208 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.308 4.667 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.889 3.063 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.091 2.463 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.277 3.931 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.865 4.029 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.870 3.836 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.104 6.173 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.443 5.952 -8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.116 7.358 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.638 6.530 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.931 5.845 -6.097 1.00 0.00 H new ATOM 1601 N TRP A 103 14.615 3.401 -8.589 1.00 0.00 N ATOM 1602 CA TRP A 103 13.795 4.110 -9.578 1.00 0.00 C ATOM 1603 C TRP A 103 12.309 4.072 -9.217 1.00 0.00 C ATOM 1604 O TRP A 103 11.483 4.686 -9.899 1.00 0.00 O ATOM 1605 CB TRP A 103 14.009 3.515 -10.980 1.00 0.00 C ATOM 1606 CG TRP A 103 15.444 3.520 -11.430 1.00 0.00 C ATOM 1607 CD1 TRP A 103 16.384 2.564 -11.174 1.00 0.00 C ATOM 1608 CD2 TRP A 103 16.105 4.536 -12.198 1.00 0.00 C ATOM 1609 NE1 TRP A 103 17.585 2.918 -11.736 1.00 0.00 N ATOM 1610 CE2 TRP A 103 17.441 4.123 -12.370 1.00 0.00 C ATOM 1611 CE3 TRP A 103 15.701 5.752 -12.760 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 18.371 4.881 -13.075 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 16.625 6.503 -13.461 1.00 0.00 C ATOM 1614 CH2 TRP A 103 17.946 6.065 -13.614 1.00 0.00 C ATOM 0 H TRP A 103 14.884 2.458 -8.869 1.00 0.00 H new ATOM 0 HA TRP A 103 14.114 5.152 -9.576 1.00 0.00 H new ATOM 0 HB2 TRP A 103 13.639 2.490 -10.990 1.00 0.00 H new ATOM 0 HB3 TRP A 103 13.411 4.077 -11.698 1.00 0.00 H new ATOM 0 HD1 TRP A 103 16.208 1.660 -10.611 1.00 0.00 H new ATOM 0 HE1 TRP A 103 18.445 2.372 -11.689 1.00 0.00 H new ATOM 0 HE3 TRP A 103 14.684 6.098 -12.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 19.391 4.547 -13.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 16.323 7.443 -13.898 1.00 0.00 H new ATOM 0 HH2 TRP A 103 18.644 6.674 -14.169 1.00 0.00 H new ATOM 1625 N ASP A 104 11.978 3.350 -8.146 1.00 0.00 N ATOM 1626 CA ASP A 104 10.596 3.228 -7.690 1.00 0.00 C ATOM 1627 C ASP A 104 10.193 4.398 -6.793 1.00 0.00 C ATOM 1628 O ASP A 104 9.057 4.874 -6.862 1.00 0.00 O ATOM 1629 CB ASP A 104 10.407 1.896 -6.952 1.00 0.00 C ATOM 1630 CG ASP A 104 10.341 0.716 -7.903 1.00 0.00 C ATOM 1631 OD1 ASP A 104 9.420 0.683 -8.747 1.00 0.00 O ATOM 1632 OD2 ASP A 104 11.207 -0.176 -7.804 1.00 0.00 O ATOM 0 H ASP A 104 12.653 2.839 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 104 9.948 3.250 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.230 1.751 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.491 1.936 -6.362 1.00 0.00 H new ATOM 1637 N PHE A 105 11.122 4.853 -5.951 1.00 0.00 N ATOM 1638 CA PHE A 105 10.856 5.963 -5.029 1.00 0.00 C ATOM 1639 C PHE A 105 11.269 7.305 -5.633 1.00 0.00 C ATOM 1640 O PHE A 105 10.885 8.363 -5.127 1.00 0.00 O ATOM 1641 CB PHE A 105 11.600 5.760 -3.700 1.00 0.00 C ATOM 1642 CG PHE A 105 11.443 4.389 -3.095 1.00 0.00 C ATOM 1643 CD1 PHE A 105 10.386 4.105 -2.246 1.00 0.00 C ATOM 1644 CD2 PHE A 105 12.358 3.384 -3.377 1.00 0.00 C ATOM 1645 CE1 PHE A 105 10.244 2.850 -1.690 1.00 0.00 C ATOM 1646 CE2 PHE A 105 12.221 2.127 -2.822 1.00 0.00 C ATOM 1647 CZ PHE A 105 11.162 1.860 -1.978 1.00 0.00 C ATOM 0 H PHE A 105 12.066 4.471 -5.887 1.00 0.00 H new ATOM 0 HA PHE A 105 9.781 5.975 -4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.661 5.953 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.246 6.501 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.664 4.875 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 105 13.187 3.588 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.415 2.642 -1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.941 1.354 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.052 0.878 -1.543 1.00 0.00 H new ATOM 1657 N TYR A 106 12.061 7.254 -6.703 1.00 0.00 N ATOM 1658 CA TYR A 106 12.544 8.463 -7.369 1.00 0.00 C ATOM 1659 C TYR A 106 11.566 8.907 -8.463 1.00 0.00 C ATOM 1660 O TYR A 106 11.618 8.421 -9.597 1.00 0.00 O ATOM 1661 CB TYR A 106 13.950 8.197 -7.945 1.00 0.00 C ATOM 1662 CG TYR A 106 14.697 9.414 -8.483 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.707 10.636 -7.807 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.415 9.322 -9.669 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.403 11.719 -8.303 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.116 10.403 -10.168 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.107 11.598 -9.482 1.00 0.00 C ATOM 1668 OH TYR A 106 16.803 12.675 -9.977 1.00 0.00 O ATOM 0 H TYR A 106 12.383 6.385 -7.129 1.00 0.00 H new ATOM 0 HA TYR A 106 12.609 9.276 -6.646 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.559 7.738 -7.166 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.859 7.467 -8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.161 10.735 -6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.425 8.388 -10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.396 12.658 -7.770 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.668 10.312 -11.091 1.00 0.00 H new ATOM 0 HH TYR A 106 17.245 12.422 -10.814 1.00 0.00 H new