USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 525 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 46 GLN : amide:sc= -4.85! C(o=-3.6!,f=-11!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -133:sc= 1.24 (180deg=-1.33!) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 26 ASN : amide:sc= 1.87 K(o=3.1,f=-3!) USER MOD Set 3.2: A 31 THR OG1 : rot -106:sc= 1.18 USER MOD Single : A 18 MET CE :methyl -162:sc= -0.152 (180deg=-0.663) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= -0.1 (180deg=-0.279) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 39 GLN : amide:sc= -0.557 K(o=-0.56,f=-5.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.208 USER MOD Single : A 53 GLN : amide:sc= -1.8! C(o=-1.8!,f=-8.4!) USER MOD Single : A 56 LYS NZ :NH3+ -123:sc= 0.616 (180deg=-3.29!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.989 USER MOD Single : A 59 GLN : amide:sc= 1.24 K(o=1.2,f=-0.36) USER MOD Single : A 60 GLN : amide:sc= -0.401 K(o=-0.4,f=-4.7!) USER MOD Single : A 69 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 43:sc= -0.177 USER MOD Single : A 84 ASN : amide:sc= 1.24 K(o=1.2,f=-9.9!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 18 -12.386 0.427 -11.548 1.00 0.00 N ATOM 2 CA MET A 18 -13.039 -0.272 -10.422 1.00 0.00 C ATOM 3 C MET A 18 -12.531 0.290 -9.107 1.00 0.00 C ATOM 4 O MET A 18 -11.353 0.616 -8.990 1.00 0.00 O ATOM 5 CB MET A 18 -12.759 -1.776 -10.487 1.00 0.00 C ATOM 6 CG MET A 18 -13.269 -2.437 -11.757 1.00 0.00 C ATOM 7 SD MET A 18 -12.950 -4.212 -11.799 1.00 0.00 S ATOM 8 CE MET A 18 -11.162 -4.253 -11.684 1.00 0.00 C ATOM 0 HA MET A 18 -14.116 -0.116 -10.491 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.684 -1.940 -10.408 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.219 -2.260 -9.626 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.341 -2.263 -11.846 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.797 -1.967 -12.620 1.00 0.00 H new ATOM 0 HE1 MET A 18 -10.798 -5.226 -12.013 1.00 0.00 H new ATOM 0 HE2 MET A 18 -10.739 -3.474 -12.318 1.00 0.00 H new ATOM 0 HE3 MET A 18 -10.860 -4.083 -10.651 1.00 0.00 H new ATOM 18 N ALA A 19 -13.424 0.420 -8.135 1.00 0.00 N ATOM 19 CA ALA A 19 -13.031 0.910 -6.822 1.00 0.00 C ATOM 20 C ALA A 19 -12.234 -0.148 -6.070 1.00 0.00 C ATOM 21 O ALA A 19 -12.751 -1.229 -5.763 1.00 0.00 O ATOM 22 CB ALA A 19 -14.260 1.323 -6.028 1.00 0.00 C ATOM 0 H ALA A 19 -14.415 0.196 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.393 1.784 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.954 1.688 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.789 2.114 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.920 0.464 -5.906 1.00 0.00 H new ATOM 28 N LEU A 20 -10.978 0.160 -5.780 1.00 0.00 N ATOM 29 CA LEU A 20 -10.123 -0.803 -5.108 1.00 0.00 C ATOM 30 C LEU A 20 -10.238 -0.628 -3.602 1.00 0.00 C ATOM 31 O LEU A 20 -10.505 0.469 -3.122 1.00 0.00 O ATOM 32 CB LEU A 20 -8.665 -0.641 -5.570 1.00 0.00 C ATOM 33 CG LEU A 20 -8.226 -1.563 -6.712 1.00 0.00 C ATOM 34 CD1 LEU A 20 -8.404 -3.022 -6.322 1.00 0.00 C ATOM 35 CD2 LEU A 20 -8.994 -1.257 -7.986 1.00 0.00 C ATOM 0 H LEU A 20 -10.536 1.053 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.447 -1.811 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.515 0.392 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.011 -0.814 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.168 -1.381 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.087 -3.660 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.800 -3.240 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.453 -3.213 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.663 -1.926 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.060 -1.401 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.811 -0.224 -8.282 1.00 0.00 H new ATOM 47 N LYS A 21 -10.105 -1.712 -2.862 1.00 0.00 N ATOM 48 CA LYS A 21 -10.137 -1.598 -1.422 1.00 0.00 C ATOM 49 C LYS A 21 -8.848 -2.118 -0.811 1.00 0.00 C ATOM 50 O LYS A 21 -8.658 -3.325 -0.639 1.00 0.00 O ATOM 51 CB LYS A 21 -11.345 -2.347 -0.881 1.00 0.00 C ATOM 52 CG LYS A 21 -12.649 -1.777 -1.402 1.00 0.00 C ATOM 53 CD LYS A 21 -13.806 -2.721 -1.173 1.00 0.00 C ATOM 54 CE LYS A 21 -13.661 -3.996 -1.983 1.00 0.00 C ATOM 55 NZ LYS A 21 -13.452 -3.727 -3.435 1.00 0.00 N ATOM 0 H LYS A 21 -9.977 -2.657 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.225 -0.547 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.273 -3.399 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.340 -2.303 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.853 -0.826 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.555 -1.570 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.869 -2.969 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.739 -2.224 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.820 -4.574 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.554 -4.608 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.443 -4.626 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.223 -3.127 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.543 -3.240 -3.570 1.00 0.00 H new ATOM 69 N CYS A 22 -7.963 -1.194 -0.498 1.00 0.00 N ATOM 70 CA CYS A 22 -6.687 -1.541 0.085 1.00 0.00 C ATOM 71 C CYS A 22 -6.685 -1.152 1.558 1.00 0.00 C ATOM 72 O CYS A 22 -7.396 -0.228 1.962 1.00 0.00 O ATOM 73 CB CYS A 22 -5.558 -0.822 -0.662 1.00 0.00 C ATOM 74 SG CYS A 22 -5.774 -0.774 -2.475 1.00 0.00 S ATOM 0 H CYS A 22 -8.106 -0.194 -0.639 1.00 0.00 H new ATOM 0 HA CYS A 22 -6.525 -2.616 0.000 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.483 0.199 -0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.613 -1.315 -0.433 1.00 0.00 H new ATOM 79 N PHE A 23 -5.912 -1.864 2.363 1.00 0.00 N ATOM 80 CA PHE A 23 -5.836 -1.555 3.782 1.00 0.00 C ATOM 81 C PHE A 23 -5.038 -0.282 4.016 1.00 0.00 C ATOM 82 O PHE A 23 -4.193 0.092 3.201 1.00 0.00 O ATOM 83 CB PHE A 23 -5.209 -2.713 4.559 1.00 0.00 C ATOM 84 CG PHE A 23 -6.158 -3.843 4.834 1.00 0.00 C ATOM 85 CD1 PHE A 23 -6.565 -4.693 3.819 1.00 0.00 C ATOM 86 CD2 PHE A 23 -6.646 -4.053 6.113 1.00 0.00 C ATOM 87 CE1 PHE A 23 -7.438 -5.731 4.076 1.00 0.00 C ATOM 88 CE2 PHE A 23 -7.519 -5.088 6.377 1.00 0.00 C ATOM 89 CZ PHE A 23 -7.916 -5.930 5.357 1.00 0.00 C ATOM 0 H PHE A 23 -5.335 -2.650 2.063 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.853 -1.402 4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.357 -3.095 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.824 -2.336 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.195 -4.542 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.339 -3.398 6.915 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.747 -6.387 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.891 -5.239 7.379 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.598 -6.742 5.560 1.00 0.00 H new ATOM 99 N THR A 24 -5.337 0.385 5.117 1.00 0.00 N ATOM 100 CA THR A 24 -4.623 1.588 5.507 1.00 0.00 C ATOM 101 C THR A 24 -4.448 1.605 7.024 1.00 0.00 C ATOM 102 O THR A 24 -5.414 1.423 7.761 1.00 0.00 O ATOM 103 CB THR A 24 -5.391 2.850 5.057 1.00 0.00 C ATOM 104 OG1 THR A 24 -5.693 2.756 3.657 1.00 0.00 O ATOM 105 CG2 THR A 24 -4.581 4.113 5.322 1.00 0.00 C ATOM 0 H THR A 24 -6.077 0.110 5.763 1.00 0.00 H new ATOM 0 HA THR A 24 -3.646 1.588 5.023 1.00 0.00 H new ATOM 0 HB THR A 24 -6.315 2.911 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.182 3.557 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.148 4.984 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.374 4.195 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.641 4.064 4.772 1.00 0.00 H new ATOM 113 N ARG A 25 -3.220 1.794 7.490 1.00 0.00 N ATOM 114 CA ARG A 25 -2.992 1.783 8.929 1.00 0.00 C ATOM 115 C ARG A 25 -3.113 3.182 9.515 1.00 0.00 C ATOM 116 O ARG A 25 -2.273 4.048 9.269 1.00 0.00 O ATOM 117 CB ARG A 25 -1.631 1.184 9.274 1.00 0.00 C ATOM 118 CG ARG A 25 -1.555 -0.306 9.013 1.00 0.00 C ATOM 119 CD ARG A 25 -0.308 -0.921 9.617 1.00 0.00 C ATOM 120 NE ARG A 25 -0.367 -0.984 11.081 1.00 0.00 N ATOM 121 CZ ARG A 25 0.541 -1.596 11.850 1.00 0.00 C ATOM 122 NH1 ARG A 25 1.561 -2.243 11.302 1.00 0.00 N ATOM 123 NH2 ARG A 25 0.404 -1.589 13.168 1.00 0.00 N ATOM 0 H ARG A 25 -2.392 1.952 6.915 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.764 1.154 9.372 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.860 1.689 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.413 1.375 10.325 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.438 -0.793 9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.566 -0.488 7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.173 -1.926 9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.563 -0.339 9.316 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.154 -0.530 11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.658 -2.277 10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.249 -2.707 11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.393 -1.117 13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.096 -2.055 13.755 1.00 0.00 H new ATOM 137 N ASN A 26 -4.160 3.389 10.292 1.00 0.00 N ATOM 138 CA ASN A 26 -4.367 4.662 10.965 1.00 0.00 C ATOM 139 C ASN A 26 -3.891 4.569 12.407 1.00 0.00 C ATOM 140 O ASN A 26 -4.657 4.276 13.319 1.00 0.00 O ATOM 141 CB ASN A 26 -5.842 5.083 10.901 1.00 0.00 C ATOM 142 CG ASN A 26 -6.796 3.904 10.998 1.00 0.00 C ATOM 143 OD1 ASN A 26 -7.228 3.359 9.981 1.00 0.00 O ATOM 144 ND2 ASN A 26 -7.111 3.492 12.211 1.00 0.00 N ATOM 0 H ASN A 26 -4.882 2.692 10.474 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.783 5.427 10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.051 5.781 11.711 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.023 5.615 9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.734 2.694 12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.731 3.972 13.027 1.00 0.00 H new ATOM 151 N GLY A 27 -2.604 4.803 12.601 1.00 0.00 N ATOM 152 CA GLY A 27 -2.032 4.608 13.912 1.00 0.00 C ATOM 153 C GLY A 27 -1.470 3.212 14.052 1.00 0.00 C ATOM 154 O GLY A 27 -0.296 2.982 13.768 1.00 0.00 O ATOM 0 H GLY A 27 -1.953 5.121 11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.243 5.341 14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.793 4.776 14.674 1.00 0.00 H new ATOM 158 N ASP A 28 -2.311 2.275 14.463 1.00 0.00 N ATOM 159 CA ASP A 28 -1.884 0.885 14.554 1.00 0.00 C ATOM 160 C ASP A 28 -2.810 -0.020 13.757 1.00 0.00 C ATOM 161 O ASP A 28 -2.357 -0.780 12.900 1.00 0.00 O ATOM 162 CB ASP A 28 -1.823 0.405 16.003 1.00 0.00 C ATOM 163 CG ASP A 28 -1.388 -1.046 16.090 1.00 0.00 C ATOM 164 OD1 ASP A 28 -0.209 -1.331 15.790 1.00 0.00 O ATOM 165 OD2 ASP A 28 -2.229 -1.904 16.422 1.00 0.00 O ATOM 0 H ASP A 28 -3.279 2.446 14.735 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.880 0.833 14.133 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.128 1.029 16.565 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.802 0.521 16.467 1.00 0.00 H new ATOM 170 N ASP A 29 -4.106 0.071 14.027 1.00 0.00 N ATOM 171 CA ASP A 29 -5.080 -0.766 13.340 1.00 0.00 C ATOM 172 C ASP A 29 -5.124 -0.431 11.853 1.00 0.00 C ATOM 173 O ASP A 29 -4.649 0.623 11.418 1.00 0.00 O ATOM 174 CB ASP A 29 -6.471 -0.609 13.961 1.00 0.00 C ATOM 175 CG ASP A 29 -7.030 0.787 13.792 1.00 0.00 C ATOM 176 OD1 ASP A 29 -6.610 1.690 14.545 1.00 0.00 O ATOM 177 OD2 ASP A 29 -7.891 0.980 12.906 1.00 0.00 O ATOM 0 H ASP A 29 -4.505 0.712 14.713 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.769 -1.805 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.152 -1.327 13.504 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.420 -0.850 15.023 1.00 0.00 H new ATOM 182 N ARG A 30 -5.679 -1.343 11.073 1.00 0.00 N ATOM 183 CA ARG A 30 -5.684 -1.170 9.633 1.00 0.00 C ATOM 184 C ARG A 30 -7.104 -1.267 9.087 1.00 0.00 C ATOM 185 O ARG A 30 -7.754 -2.310 9.185 1.00 0.00 O ATOM 186 CB ARG A 30 -4.758 -2.206 8.978 1.00 0.00 C ATOM 187 CG ARG A 30 -5.111 -3.651 9.302 1.00 0.00 C ATOM 188 CD ARG A 30 -3.990 -4.602 8.917 1.00 0.00 C ATOM 189 NE ARG A 30 -2.853 -4.507 9.837 1.00 0.00 N ATOM 190 CZ ARG A 30 -1.581 -4.680 9.474 1.00 0.00 C ATOM 191 NH1 ARG A 30 -1.272 -4.920 8.208 1.00 0.00 N ATOM 192 NH2 ARG A 30 -0.614 -4.604 10.379 1.00 0.00 N ATOM 0 H ARG A 30 -6.125 -2.197 11.407 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.307 -0.176 9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.787 -2.070 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.733 -2.014 9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.318 -3.745 10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.023 -3.930 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.367 -5.625 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.657 -4.379 7.903 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.046 -4.295 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.009 -4.973 7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.297 -5.051 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.842 -4.413 11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.358 -4.737 10.099 1.00 0.00 H new ATOM 206 N THR A 31 -7.585 -0.171 8.534 1.00 0.00 N ATOM 207 CA THR A 31 -8.937 -0.115 8.014 1.00 0.00 C ATOM 208 C THR A 31 -8.965 -0.409 6.516 1.00 0.00 C ATOM 209 O THR A 31 -7.954 -0.266 5.824 1.00 0.00 O ATOM 210 CB THR A 31 -9.572 1.263 8.283 1.00 0.00 C ATOM 211 OG1 THR A 31 -8.664 2.306 7.900 1.00 0.00 O ATOM 212 CG2 THR A 31 -9.938 1.414 9.753 1.00 0.00 C ATOM 0 H THR A 31 -7.057 0.696 8.433 1.00 0.00 H new ATOM 0 HA THR A 31 -9.516 -0.880 8.531 1.00 0.00 H new ATOM 0 HB THR A 31 -10.483 1.340 7.689 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.284 2.720 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.384 2.395 9.918 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.652 0.639 10.032 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.040 1.317 10.363 1.00 0.00 H new ATOM 220 N VAL A 32 -10.117 -0.847 6.028 1.00 0.00 N ATOM 221 CA VAL A 32 -10.287 -1.080 4.603 1.00 0.00 C ATOM 222 C VAL A 32 -11.001 0.103 3.974 1.00 0.00 C ATOM 223 O VAL A 32 -12.169 0.358 4.270 1.00 0.00 O ATOM 224 CB VAL A 32 -11.111 -2.355 4.314 1.00 0.00 C ATOM 225 CG1 VAL A 32 -11.238 -2.585 2.815 1.00 0.00 C ATOM 226 CG2 VAL A 32 -10.498 -3.570 4.985 1.00 0.00 C ATOM 0 H VAL A 32 -10.942 -1.047 6.594 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.292 -1.208 4.178 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.108 -2.207 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.822 -3.488 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.738 -1.731 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.246 -2.701 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.100 -4.451 4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.485 -3.720 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.468 -3.414 6.063 1.00 0.00 H new ATOM 236 N THR A 33 -10.305 0.838 3.128 1.00 0.00 N ATOM 237 CA THR A 33 -10.946 1.933 2.434 1.00 0.00 C ATOM 238 C THR A 33 -11.150 1.585 0.972 1.00 0.00 C ATOM 239 O THR A 33 -10.370 0.838 0.385 1.00 0.00 O ATOM 240 CB THR A 33 -10.140 3.240 2.537 1.00 0.00 C ATOM 241 OG1 THR A 33 -8.794 3.031 2.087 1.00 0.00 O ATOM 242 CG2 THR A 33 -10.127 3.759 3.965 1.00 0.00 C ATOM 0 H THR A 33 -9.318 0.701 2.909 1.00 0.00 H new ATOM 0 HA THR A 33 -11.910 2.092 2.917 1.00 0.00 H new ATOM 0 HB THR A 33 -10.621 3.983 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.292 3.870 2.156 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.551 4.683 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.149 3.952 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.672 3.015 4.618 1.00 0.00 H new ATOM 250 N THR A 34 -12.215 2.108 0.400 1.00 0.00 N ATOM 251 CA THR A 34 -12.476 1.904 -1.007 1.00 0.00 C ATOM 252 C THR A 34 -12.084 3.152 -1.790 1.00 0.00 C ATOM 253 O THR A 34 -12.687 4.216 -1.644 1.00 0.00 O ATOM 254 CB THR A 34 -13.956 1.531 -1.247 1.00 0.00 C ATOM 255 OG1 THR A 34 -14.277 1.582 -2.642 1.00 0.00 O ATOM 256 CG2 THR A 34 -14.883 2.444 -0.460 1.00 0.00 C ATOM 0 H THR A 34 -12.910 2.675 0.886 1.00 0.00 H new ATOM 0 HA THR A 34 -11.871 1.069 -1.361 1.00 0.00 H new ATOM 0 HB THR A 34 -14.101 0.509 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.218 1.341 -2.770 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.919 2.160 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.668 2.351 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.728 3.477 -0.773 1.00 0.00 H new ATOM 264 N CYS A 35 -11.051 3.018 -2.595 1.00 0.00 N ATOM 265 CA CYS A 35 -10.505 4.138 -3.332 1.00 0.00 C ATOM 266 C CYS A 35 -11.082 4.211 -4.741 1.00 0.00 C ATOM 267 O CYS A 35 -11.653 3.241 -5.242 1.00 0.00 O ATOM 268 CB CYS A 35 -8.980 4.036 -3.347 1.00 0.00 C ATOM 269 SG CYS A 35 -8.337 2.350 -3.556 1.00 0.00 S ATOM 0 H CYS A 35 -10.568 2.134 -2.756 1.00 0.00 H new ATOM 0 HA CYS A 35 -10.788 5.066 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.595 4.660 -4.154 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.592 4.446 -2.414 1.00 0.00 H new ATOM 274 N ALA A 36 -10.936 5.372 -5.366 1.00 0.00 N ATOM 275 CA ALA A 36 -11.556 5.636 -6.661 1.00 0.00 C ATOM 276 C ALA A 36 -10.790 4.972 -7.800 1.00 0.00 C ATOM 277 O ALA A 36 -9.750 4.357 -7.577 1.00 0.00 O ATOM 278 CB ALA A 36 -11.625 7.139 -6.889 1.00 0.00 C ATOM 0 H ALA A 36 -10.391 6.151 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.560 5.213 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.088 7.340 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.219 7.600 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.618 7.556 -6.875 1.00 0.00 H new ATOM 284 N GLU A 37 -11.311 5.127 -9.023 1.00 0.00 N ATOM 285 CA GLU A 37 -10.637 4.645 -10.229 1.00 0.00 C ATOM 286 C GLU A 37 -9.194 5.140 -10.264 1.00 0.00 C ATOM 287 O GLU A 37 -8.295 4.468 -10.773 1.00 0.00 O ATOM 288 CB GLU A 37 -11.374 5.162 -11.466 1.00 0.00 C ATOM 289 CG GLU A 37 -12.860 4.842 -11.482 1.00 0.00 C ATOM 290 CD GLU A 37 -13.129 3.357 -11.520 1.00 0.00 C ATOM 291 OE1 GLU A 37 -12.925 2.735 -12.581 1.00 0.00 O ATOM 292 OE2 GLU A 37 -13.520 2.789 -10.483 1.00 0.00 O ATOM 0 H GLU A 37 -12.204 5.586 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.641 3.555 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.245 6.243 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.912 4.735 -12.356 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.331 5.271 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.321 5.314 -12.349 1.00 0.00 H new ATOM 299 N GLU A 38 -9.012 6.334 -9.720 1.00 0.00 N ATOM 300 CA GLU A 38 -7.708 6.955 -9.564 1.00 0.00 C ATOM 301 C GLU A 38 -6.726 6.001 -8.877 1.00 0.00 C ATOM 302 O GLU A 38 -5.618 5.773 -9.366 1.00 0.00 O ATOM 303 CB GLU A 38 -7.891 8.233 -8.745 1.00 0.00 C ATOM 304 CG GLU A 38 -6.618 9.004 -8.467 1.00 0.00 C ATOM 305 CD GLU A 38 -6.866 10.165 -7.527 1.00 0.00 C ATOM 306 OE1 GLU A 38 -7.476 9.936 -6.456 1.00 0.00 O ATOM 307 OE2 GLU A 38 -6.467 11.297 -7.859 1.00 0.00 O ATOM 0 H GLU A 38 -9.780 6.907 -9.369 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.289 7.194 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.586 8.887 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.356 7.973 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.874 8.336 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.204 9.376 -9.405 1.00 0.00 H new ATOM 314 N GLN A 39 -7.148 5.420 -7.761 1.00 0.00 N ATOM 315 CA GLN A 39 -6.270 4.504 -7.048 1.00 0.00 C ATOM 316 C GLN A 39 -6.596 3.073 -7.441 1.00 0.00 C ATOM 317 O GLN A 39 -7.500 2.458 -6.883 1.00 0.00 O ATOM 318 CB GLN A 39 -6.435 4.625 -5.534 1.00 0.00 C ATOM 319 CG GLN A 39 -6.654 6.030 -5.018 1.00 0.00 C ATOM 320 CD GLN A 39 -5.459 6.940 -5.146 1.00 0.00 C ATOM 321 OE1 GLN A 39 -4.316 6.509 -5.079 1.00 0.00 O ATOM 322 NE2 GLN A 39 -5.727 8.216 -5.304 1.00 0.00 N ATOM 0 H GLN A 39 -8.066 5.561 -7.340 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.246 4.762 -7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.279 4.007 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.547 4.214 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.491 6.474 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.942 5.976 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.696 8.531 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.966 8.892 -5.376 1.00 0.00 H new ATOM 331 N THR A 40 -5.882 2.555 -8.414 1.00 0.00 N ATOM 332 CA THR A 40 -6.097 1.177 -8.814 1.00 0.00 C ATOM 333 C THR A 40 -4.934 0.301 -8.365 1.00 0.00 C ATOM 334 O THR A 40 -4.726 -0.802 -8.876 1.00 0.00 O ATOM 335 CB THR A 40 -6.283 1.090 -10.338 1.00 0.00 C ATOM 336 OG1 THR A 40 -5.694 2.243 -10.958 1.00 0.00 O ATOM 337 CG2 THR A 40 -7.758 1.010 -10.704 1.00 0.00 C ATOM 0 H THR A 40 -5.160 3.052 -8.936 1.00 0.00 H new ATOM 0 HA THR A 40 -7.004 0.812 -8.332 1.00 0.00 H new ATOM 0 HB THR A 40 -5.792 0.185 -10.695 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.811 2.187 -11.929 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.861 0.949 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.199 0.124 -10.247 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.272 1.900 -10.340 1.00 0.00 H new ATOM 345 N ARG A 41 -4.176 0.807 -7.404 1.00 0.00 N ATOM 346 CA ARG A 41 -3.111 0.033 -6.808 1.00 0.00 C ATOM 347 C ARG A 41 -3.212 0.113 -5.292 1.00 0.00 C ATOM 348 O ARG A 41 -4.008 0.877 -4.747 1.00 0.00 O ATOM 349 CB ARG A 41 -1.741 0.557 -7.244 1.00 0.00 C ATOM 350 CG ARG A 41 -0.738 -0.528 -7.553 1.00 0.00 C ATOM 351 CD ARG A 41 -1.147 -1.373 -8.746 1.00 0.00 C ATOM 352 NE ARG A 41 -0.091 -2.315 -9.117 1.00 0.00 N ATOM 353 CZ ARG A 41 -0.022 -2.939 -10.291 1.00 0.00 C ATOM 354 NH1 ARG A 41 -0.957 -2.737 -11.213 1.00 0.00 N ATOM 355 NH2 ARG A 41 0.988 -3.766 -10.540 1.00 0.00 N ATOM 0 H ARG A 41 -4.282 1.748 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.213 -1.000 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.867 1.183 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.340 1.195 -6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.234 -0.075 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.621 -1.170 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.060 -1.921 -8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.373 -0.725 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 41 0.640 -2.506 -8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.732 -2.102 -11.023 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.900 -3.217 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.707 -3.921 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.045 -4.246 -11.438 1.00 0.00 H new ATOM 369 N CYS A 42 -2.366 -0.643 -4.632 1.00 0.00 N ATOM 370 CA CYS A 42 -2.333 -0.649 -3.180 1.00 0.00 C ATOM 371 C CYS A 42 -0.889 -0.556 -2.725 1.00 0.00 C ATOM 372 O CYS A 42 -0.037 -1.290 -3.217 1.00 0.00 O ATOM 373 CB CYS A 42 -2.959 -1.931 -2.608 1.00 0.00 C ATOM 374 SG CYS A 42 -4.644 -2.301 -3.193 1.00 0.00 S ATOM 0 H CYS A 42 -1.689 -1.264 -5.074 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.911 0.201 -2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.313 -2.773 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.978 -1.853 -1.521 1.00 0.00 H new ATOM 379 N LEU A 43 -0.608 0.345 -1.804 1.00 0.00 N ATOM 380 CA LEU A 43 0.749 0.516 -1.318 1.00 0.00 C ATOM 381 C LEU A 43 0.975 -0.361 -0.093 1.00 0.00 C ATOM 382 O LEU A 43 0.171 -0.347 0.842 1.00 0.00 O ATOM 383 CB LEU A 43 0.998 1.984 -0.956 1.00 0.00 C ATOM 384 CG LEU A 43 2.393 2.541 -1.282 1.00 0.00 C ATOM 385 CD1 LEU A 43 2.620 3.861 -0.563 1.00 0.00 C ATOM 386 CD2 LEU A 43 3.491 1.551 -0.939 1.00 0.00 C ATOM 0 H LEU A 43 -1.296 0.967 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 43 1.444 0.221 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.257 2.594 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.822 2.107 0.113 1.00 0.00 H new ATOM 0 HG LEU A 43 2.434 2.714 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.612 4.241 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.868 4.583 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.543 3.707 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.461 1.984 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.455 1.322 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.347 0.635 -1.512 1.00 0.00 H new ATOM 398 N PHE A 44 2.046 -1.138 -0.122 1.00 0.00 N ATOM 399 CA PHE A 44 2.462 -1.907 1.039 1.00 0.00 C ATOM 400 C PHE A 44 3.980 -1.847 1.199 1.00 0.00 C ATOM 401 O PHE A 44 4.720 -2.509 0.470 1.00 0.00 O ATOM 402 CB PHE A 44 1.990 -3.363 0.935 1.00 0.00 C ATOM 403 CG PHE A 44 2.577 -4.255 1.994 1.00 0.00 C ATOM 404 CD1 PHE A 44 2.439 -3.948 3.339 1.00 0.00 C ATOM 405 CD2 PHE A 44 3.284 -5.390 1.639 1.00 0.00 C ATOM 406 CE1 PHE A 44 3.006 -4.752 4.307 1.00 0.00 C ATOM 407 CE2 PHE A 44 3.845 -6.202 2.601 1.00 0.00 C ATOM 408 CZ PHE A 44 3.712 -5.882 3.938 1.00 0.00 C ATOM 0 H PHE A 44 2.644 -1.253 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 44 1.999 -1.466 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.903 -3.391 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.254 -3.754 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.882 -3.070 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.398 -5.643 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.898 -4.499 5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.389 -7.088 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.158 -6.513 4.693 1.00 0.00 H new ATOM 418 N VAL A 45 4.433 -1.020 2.131 1.00 0.00 N ATOM 419 CA VAL A 45 5.854 -0.937 2.458 1.00 0.00 C ATOM 420 C VAL A 45 6.103 -1.633 3.790 1.00 0.00 C ATOM 421 O VAL A 45 5.351 -1.430 4.739 1.00 0.00 O ATOM 422 CB VAL A 45 6.339 0.532 2.558 1.00 0.00 C ATOM 423 CG1 VAL A 45 7.849 0.595 2.752 1.00 0.00 C ATOM 424 CG2 VAL A 45 5.924 1.328 1.329 1.00 0.00 C ATOM 0 H VAL A 45 3.838 -0.396 2.676 1.00 0.00 H new ATOM 0 HA VAL A 45 6.411 -1.423 1.657 1.00 0.00 H new ATOM 0 HB VAL A 45 5.864 0.981 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.164 1.636 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.120 0.074 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.345 0.120 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.277 2.355 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.360 0.876 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.837 1.324 1.243 1.00 0.00 H new ATOM 434 N GLN A 46 7.134 -2.464 3.864 1.00 0.00 N ATOM 435 CA GLN A 46 7.401 -3.167 5.109 1.00 0.00 C ATOM 436 C GLN A 46 8.474 -2.456 5.917 1.00 0.00 C ATOM 437 O GLN A 46 9.507 -2.052 5.381 1.00 0.00 O ATOM 438 CB GLN A 46 7.787 -4.631 4.908 1.00 0.00 C ATOM 439 CG GLN A 46 8.509 -4.923 3.620 1.00 0.00 C ATOM 440 CD GLN A 46 7.565 -5.219 2.480 1.00 0.00 C ATOM 441 OE1 GLN A 46 7.904 -5.936 1.543 1.00 0.00 O ATOM 442 NE2 GLN A 46 6.375 -4.659 2.563 1.00 0.00 N ATOM 0 H GLN A 46 7.781 -2.664 3.101 1.00 0.00 H new ATOM 0 HA GLN A 46 6.461 -3.158 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.418 -4.943 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.883 -5.239 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.134 -4.070 3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.175 -5.774 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.143 -4.071 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.686 -4.814 1.827 1.00 0.00 H new ATOM 451 N LEU A 47 8.215 -2.300 7.201 1.00 0.00 N ATOM 452 CA LEU A 47 9.158 -1.636 8.089 1.00 0.00 C ATOM 453 C LEU A 47 9.585 -2.610 9.183 1.00 0.00 C ATOM 454 O LEU A 47 8.870 -3.567 9.465 1.00 0.00 O ATOM 455 CB LEU A 47 8.534 -0.376 8.718 1.00 0.00 C ATOM 456 CG LEU A 47 8.346 0.841 7.796 1.00 0.00 C ATOM 457 CD1 LEU A 47 9.662 1.232 7.144 1.00 0.00 C ATOM 458 CD2 LEU A 47 7.282 0.587 6.740 1.00 0.00 C ATOM 0 H LEU A 47 7.361 -2.623 7.655 1.00 0.00 H new ATOM 0 HA LEU A 47 10.027 -1.325 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.560 -0.647 9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.158 -0.072 9.559 1.00 0.00 H new ATOM 0 HG LEU A 47 8.005 1.670 8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.505 2.095 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.389 1.485 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.037 0.397 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.178 1.469 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.574 -0.266 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.330 0.375 7.226 1.00 0.00 H new ATOM 470 N PRO A 48 10.748 -2.381 9.818 1.00 0.00 N ATOM 471 CA PRO A 48 11.268 -3.278 10.862 1.00 0.00 C ATOM 472 C PRO A 48 10.318 -3.424 12.053 1.00 0.00 C ATOM 473 O PRO A 48 10.313 -4.451 12.727 1.00 0.00 O ATOM 474 CB PRO A 48 12.571 -2.603 11.303 1.00 0.00 C ATOM 475 CG PRO A 48 12.952 -1.717 10.168 1.00 0.00 C ATOM 476 CD PRO A 48 11.659 -1.254 9.561 1.00 0.00 C ATOM 0 HA PRO A 48 11.399 -4.292 10.484 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.428 -2.030 12.219 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.348 -3.340 11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.547 -0.872 10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.557 -2.255 9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.303 -0.334 10.024 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.763 -1.055 8.494 1.00 0.00 H new ATOM 484 N TYR A 49 9.521 -2.392 12.310 1.00 0.00 N ATOM 485 CA TYR A 49 8.594 -2.418 13.439 1.00 0.00 C ATOM 486 C TYR A 49 7.221 -1.898 13.031 1.00 0.00 C ATOM 487 O TYR A 49 6.355 -1.674 13.876 1.00 0.00 O ATOM 488 CB TYR A 49 9.132 -1.568 14.596 1.00 0.00 C ATOM 489 CG TYR A 49 10.444 -2.059 15.165 1.00 0.00 C ATOM 490 CD1 TYR A 49 10.479 -3.097 16.087 1.00 0.00 C ATOM 491 CD2 TYR A 49 11.647 -1.486 14.774 1.00 0.00 C ATOM 492 CE1 TYR A 49 11.676 -3.548 16.606 1.00 0.00 C ATOM 493 CE2 TYR A 49 12.847 -1.931 15.288 1.00 0.00 C ATOM 494 CZ TYR A 49 12.857 -2.963 16.204 1.00 0.00 C ATOM 495 OH TYR A 49 14.053 -3.410 16.719 1.00 0.00 O ATOM 0 H TYR A 49 9.497 -1.534 11.759 1.00 0.00 H new ATOM 0 HA TYR A 49 8.498 -3.454 13.763 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.260 -0.542 14.250 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.388 -1.546 15.393 1.00 0.00 H new ATOM 0 HD1 TYR A 49 9.555 -3.559 16.403 1.00 0.00 H new ATOM 0 HD2 TYR A 49 11.643 -0.679 14.056 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.687 -4.355 17.323 1.00 0.00 H new ATOM 0 HE2 TYR A 49 13.774 -1.474 14.975 1.00 0.00 H new ATOM 0 HH TYR A 49 14.790 -2.893 16.332 1.00 0.00 H new ATOM 505 N SER A 50 7.021 -1.707 11.736 1.00 0.00 N ATOM 506 CA SER A 50 5.772 -1.125 11.257 1.00 0.00 C ATOM 507 C SER A 50 5.533 -1.527 9.807 1.00 0.00 C ATOM 508 O SER A 50 6.194 -2.430 9.296 1.00 0.00 O ATOM 509 CB SER A 50 5.821 0.405 11.376 1.00 0.00 C ATOM 510 OG SER A 50 6.089 0.812 12.707 1.00 0.00 O ATOM 0 H SER A 50 7.694 -1.941 11.006 1.00 0.00 H new ATOM 0 HA SER A 50 4.952 -1.499 11.869 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.590 0.799 10.712 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.871 0.827 11.049 1.00 0.00 H new ATOM 0 HG SER A 50 6.116 1.791 12.751 1.00 0.00 H new ATOM 516 N GLU A 51 4.591 -0.862 9.151 1.00 0.00 N ATOM 517 CA GLU A 51 4.332 -1.094 7.738 1.00 0.00 C ATOM 518 C GLU A 51 3.470 0.034 7.182 1.00 0.00 C ATOM 519 O GLU A 51 2.696 0.651 7.916 1.00 0.00 O ATOM 520 CB GLU A 51 3.643 -2.448 7.531 1.00 0.00 C ATOM 521 CG GLU A 51 2.242 -2.505 8.107 1.00 0.00 C ATOM 522 CD GLU A 51 1.761 -3.914 8.369 1.00 0.00 C ATOM 523 OE1 GLU A 51 1.242 -4.556 7.440 1.00 0.00 O ATOM 524 OE2 GLU A 51 1.865 -4.363 9.530 1.00 0.00 O ATOM 0 H GLU A 51 3.992 -0.155 9.578 1.00 0.00 H new ATOM 0 HA GLU A 51 5.282 -1.112 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.598 -2.665 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.249 -3.229 7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.216 -1.940 9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.553 -2.015 7.419 1.00 0.00 H new ATOM 531 N ILE A 52 3.625 0.313 5.899 1.00 0.00 N ATOM 532 CA ILE A 52 2.864 1.371 5.254 1.00 0.00 C ATOM 533 C ILE A 52 1.781 0.781 4.367 1.00 0.00 C ATOM 534 O ILE A 52 2.062 -0.081 3.533 1.00 0.00 O ATOM 535 CB ILE A 52 3.772 2.280 4.409 1.00 0.00 C ATOM 536 CG1 ILE A 52 4.784 2.985 5.306 1.00 0.00 C ATOM 537 CG2 ILE A 52 2.962 3.296 3.621 1.00 0.00 C ATOM 538 CD1 ILE A 52 4.168 3.657 6.514 1.00 0.00 C ATOM 0 H ILE A 52 4.272 -0.179 5.282 1.00 0.00 H new ATOM 0 HA ILE A 52 2.406 1.970 6.041 1.00 0.00 H new ATOM 0 HB ILE A 52 4.305 1.655 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.523 2.259 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.317 3.733 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.635 3.922 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.276 2.775 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.393 3.921 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.951 4.136 7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.450 4.408 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.659 2.911 7.125 1.00 0.00 H new ATOM 550 N GLN A 53 0.550 1.242 4.551 1.00 0.00 N ATOM 551 CA GLN A 53 -0.551 0.719 3.752 1.00 0.00 C ATOM 552 C GLN A 53 -1.483 1.852 3.338 1.00 0.00 C ATOM 553 O GLN A 53 -1.919 2.637 4.176 1.00 0.00 O ATOM 554 CB GLN A 53 -1.351 -0.332 4.533 1.00 0.00 C ATOM 555 CG GLN A 53 -0.499 -1.307 5.331 1.00 0.00 C ATOM 556 CD GLN A 53 -1.292 -2.501 5.821 1.00 0.00 C ATOM 557 OE1 GLN A 53 -1.940 -2.452 6.865 1.00 0.00 O ATOM 558 NE2 GLN A 53 -1.220 -3.597 5.087 1.00 0.00 N ATOM 0 H GLN A 53 0.292 1.959 5.229 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.125 0.248 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.031 0.179 5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.967 -0.896 3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.328 -1.653 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.063 -0.789 6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.672 -3.599 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.712 -4.441 5.381 1.00 0.00 H new ATOM 567 N GLU A 54 -1.806 1.907 2.047 1.00 0.00 N ATOM 568 CA GLU A 54 -2.667 2.960 1.498 1.00 0.00 C ATOM 569 C GLU A 54 -3.148 2.588 0.104 1.00 0.00 C ATOM 570 O GLU A 54 -2.541 1.745 -0.558 1.00 0.00 O ATOM 571 CB GLU A 54 -1.914 4.301 1.404 1.00 0.00 C ATOM 572 CG GLU A 54 -0.402 4.171 1.444 1.00 0.00 C ATOM 573 CD GLU A 54 0.221 5.156 2.408 1.00 0.00 C ATOM 574 OE1 GLU A 54 0.322 4.835 3.603 1.00 0.00 O ATOM 575 OE2 GLU A 54 0.583 6.265 1.966 1.00 0.00 O ATOM 0 H GLU A 54 -1.483 1.231 1.355 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.517 3.063 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.200 4.801 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.234 4.943 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.132 3.156 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.003 4.334 0.445 1.00 0.00 H new ATOM 582 N CYS A 55 -4.242 3.198 -0.333 1.00 0.00 N ATOM 583 CA CYS A 55 -4.572 3.178 -1.752 1.00 0.00 C ATOM 584 C CYS A 55 -3.703 4.189 -2.455 1.00 0.00 C ATOM 585 O CYS A 55 -3.771 5.386 -2.165 1.00 0.00 O ATOM 586 CB CYS A 55 -6.046 3.523 -2.016 1.00 0.00 C ATOM 587 SG CYS A 55 -7.188 2.113 -1.902 1.00 0.00 S ATOM 0 H CYS A 55 -4.903 3.702 0.259 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.399 2.169 -2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.360 4.286 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.130 3.962 -3.010 1.00 0.00 H new ATOM 592 N LYS A 56 -2.879 3.711 -3.356 1.00 0.00 N ATOM 593 CA LYS A 56 -2.051 4.600 -4.135 1.00 0.00 C ATOM 594 C LYS A 56 -2.323 4.340 -5.587 1.00 0.00 C ATOM 595 O LYS A 56 -2.602 3.205 -5.968 1.00 0.00 O ATOM 596 CB LYS A 56 -0.567 4.402 -3.815 1.00 0.00 C ATOM 597 CG LYS A 56 0.035 5.549 -3.017 1.00 0.00 C ATOM 598 CD LYS A 56 -0.827 5.896 -1.818 1.00 0.00 C ATOM 599 CE LYS A 56 -0.199 6.976 -0.955 1.00 0.00 C ATOM 600 NZ LYS A 56 -1.004 7.270 0.257 1.00 0.00 N ATOM 0 H LYS A 56 -2.764 2.720 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.292 5.634 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.444 3.475 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.014 4.287 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.036 5.276 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.141 6.425 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.806 6.231 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.988 5.001 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.801 6.663 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.086 7.887 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.251 8.280 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.875 6.701 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.452 7.035 1.106 1.00 0.00 H new ATOM 614 N THR A 57 -2.282 5.381 -6.389 1.00 0.00 N ATOM 615 CA THR A 57 -2.577 5.195 -7.791 1.00 0.00 C ATOM 616 C THR A 57 -1.519 4.261 -8.380 1.00 0.00 C ATOM 617 O THR A 57 -0.426 4.152 -7.822 1.00 0.00 O ATOM 618 CB THR A 57 -2.586 6.524 -8.582 1.00 0.00 C ATOM 619 OG1 THR A 57 -1.253 7.018 -8.749 1.00 0.00 O ATOM 620 CG2 THR A 57 -3.420 7.580 -7.879 1.00 0.00 C ATOM 0 H THR A 57 -2.055 6.335 -6.107 1.00 0.00 H new ATOM 0 HA THR A 57 -3.578 4.771 -7.874 1.00 0.00 H new ATOM 0 HB THR A 57 -3.027 6.318 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.276 7.858 -9.253 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.406 8.502 -8.461 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.447 7.228 -7.783 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.007 7.770 -6.888 1.00 0.00 H new ATOM 628 N VAL A 58 -1.818 3.583 -9.480 1.00 0.00 N ATOM 629 CA VAL A 58 -0.826 2.684 -10.070 1.00 0.00 C ATOM 630 C VAL A 58 0.453 3.465 -10.416 1.00 0.00 C ATOM 631 O VAL A 58 1.566 2.966 -10.253 1.00 0.00 O ATOM 632 CB VAL A 58 -1.362 1.995 -11.346 1.00 0.00 C ATOM 633 CG1 VAL A 58 -0.322 1.056 -11.939 1.00 0.00 C ATOM 634 CG2 VAL A 58 -2.647 1.242 -11.049 1.00 0.00 C ATOM 0 H VAL A 58 -2.710 3.632 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.606 1.912 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.576 2.771 -12.080 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.726 0.585 -12.835 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.573 1.621 -12.198 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.067 0.288 -11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.008 0.764 -11.960 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.456 0.482 -10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.401 1.939 -10.682 1.00 0.00 H new ATOM 644 N GLN A 59 0.280 4.706 -10.873 1.00 0.00 N ATOM 645 CA GLN A 59 1.422 5.565 -11.174 1.00 0.00 C ATOM 646 C GLN A 59 2.199 5.899 -9.912 1.00 0.00 C ATOM 647 O GLN A 59 3.399 5.643 -9.823 1.00 0.00 O ATOM 648 CB GLN A 59 0.969 6.875 -11.815 1.00 0.00 C ATOM 649 CG GLN A 59 2.045 7.953 -11.773 1.00 0.00 C ATOM 650 CD GLN A 59 1.550 9.306 -12.243 1.00 0.00 C ATOM 651 OE1 GLN A 59 0.637 9.398 -13.065 1.00 0.00 O ATOM 652 NE2 GLN A 59 2.156 10.365 -11.731 1.00 0.00 N ATOM 0 H GLN A 59 -0.631 5.134 -11.041 1.00 0.00 H new ATOM 0 HA GLN A 59 2.059 5.015 -11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.687 6.689 -12.851 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.078 7.237 -11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.420 8.044 -10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.885 7.644 -12.395 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.908 10.244 -11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.871 11.302 -12.015 1.00 0.00 H new ATOM 661 N GLN A 60 1.494 6.456 -8.936 1.00 0.00 N ATOM 662 CA GLN A 60 2.122 6.915 -7.713 1.00 0.00 C ATOM 663 C GLN A 60 2.718 5.749 -6.963 1.00 0.00 C ATOM 664 O GLN A 60 3.694 5.904 -6.270 1.00 0.00 O ATOM 665 CB GLN A 60 1.110 7.659 -6.836 1.00 0.00 C ATOM 666 CG GLN A 60 1.712 8.252 -5.573 1.00 0.00 C ATOM 667 CD GLN A 60 0.755 9.179 -4.853 1.00 0.00 C ATOM 668 OE1 GLN A 60 -0.016 8.755 -3.992 1.00 0.00 O ATOM 669 NE2 GLN A 60 0.799 10.453 -5.206 1.00 0.00 N ATOM 0 H GLN A 60 0.485 6.599 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 60 2.923 7.607 -7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.655 8.459 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.310 6.973 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.006 7.445 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.619 8.799 -5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.454 10.761 -5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.178 11.128 -4.759 1.00 0.00 H new ATOM 678 N CYS A 61 2.147 4.571 -7.125 1.00 0.00 N ATOM 679 CA CYS A 61 2.677 3.398 -6.454 1.00 0.00 C ATOM 680 C CYS A 61 4.041 3.041 -7.029 1.00 0.00 C ATOM 681 O CYS A 61 4.898 2.548 -6.312 1.00 0.00 O ATOM 682 CB CYS A 61 1.731 2.209 -6.597 1.00 0.00 C ATOM 683 SG CYS A 61 2.087 1.131 -8.030 1.00 0.00 S ATOM 0 H CYS A 61 1.327 4.401 -7.707 1.00 0.00 H new ATOM 0 HA CYS A 61 2.778 3.631 -5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.778 1.611 -5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.710 2.581 -6.682 1.00 0.00 H new ATOM 688 N ALA A 62 4.232 3.273 -8.323 1.00 0.00 N ATOM 689 CA ALA A 62 5.543 3.071 -8.926 1.00 0.00 C ATOM 690 C ALA A 62 6.512 4.127 -8.408 1.00 0.00 C ATOM 691 O ALA A 62 7.670 3.833 -8.100 1.00 0.00 O ATOM 692 CB ALA A 62 5.447 3.124 -10.444 1.00 0.00 C ATOM 0 H ALA A 62 3.508 3.596 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 62 5.915 2.085 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.436 2.971 -10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.773 2.342 -10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.063 4.097 -10.751 1.00 0.00 H new ATOM 698 N GLU A 63 6.006 5.349 -8.292 1.00 0.00 N ATOM 699 CA GLU A 63 6.760 6.475 -7.759 1.00 0.00 C ATOM 700 C GLU A 63 7.242 6.177 -6.334 1.00 0.00 C ATOM 701 O GLU A 63 8.436 6.239 -6.030 1.00 0.00 O ATOM 702 CB GLU A 63 5.851 7.713 -7.767 1.00 0.00 C ATOM 703 CG GLU A 63 5.368 8.108 -9.156 1.00 0.00 C ATOM 704 CD GLU A 63 4.398 9.277 -9.136 1.00 0.00 C ATOM 705 OE1 GLU A 63 3.679 9.443 -8.129 1.00 0.00 O ATOM 706 OE2 GLU A 63 4.336 10.016 -10.141 1.00 0.00 O ATOM 0 H GLU A 63 5.053 5.587 -8.568 1.00 0.00 H new ATOM 0 HA GLU A 63 7.640 6.654 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.986 7.522 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.390 8.552 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.228 8.367 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.885 7.250 -9.625 1.00 0.00 H new ATOM 713 N VAL A 64 6.297 5.798 -5.491 1.00 0.00 N ATOM 714 CA VAL A 64 6.541 5.536 -4.109 1.00 0.00 C ATOM 715 C VAL A 64 7.304 4.226 -3.909 1.00 0.00 C ATOM 716 O VAL A 64 8.048 4.056 -2.938 1.00 0.00 O ATOM 717 CB VAL A 64 5.190 5.495 -3.393 1.00 0.00 C ATOM 718 CG1 VAL A 64 4.397 6.776 -3.630 1.00 0.00 C ATOM 719 CG2 VAL A 64 4.414 4.286 -3.819 1.00 0.00 C ATOM 0 H VAL A 64 5.324 5.665 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 64 7.167 6.325 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 64 5.373 5.424 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.442 6.715 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.962 7.629 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.219 6.901 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.455 4.269 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.246 4.322 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.977 3.386 -3.570 1.00 0.00 H new ATOM 729 N LEU A 65 7.111 3.294 -4.830 1.00 0.00 N ATOM 730 CA LEU A 65 7.794 2.019 -4.765 1.00 0.00 C ATOM 731 C LEU A 65 9.291 2.243 -4.781 1.00 0.00 C ATOM 732 O LEU A 65 10.013 1.743 -3.922 1.00 0.00 O ATOM 733 CB LEU A 65 7.387 1.138 -5.952 1.00 0.00 C ATOM 734 CG LEU A 65 8.016 -0.254 -5.990 1.00 0.00 C ATOM 735 CD1 LEU A 65 7.676 -1.020 -4.734 1.00 0.00 C ATOM 736 CD2 LEU A 65 7.533 -1.023 -7.200 1.00 0.00 C ATOM 0 H LEU A 65 6.487 3.400 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 65 7.514 1.513 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.303 1.027 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.646 1.659 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 65 9.098 -0.136 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.131 -2.009 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.057 -0.482 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.594 -1.122 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.992 -2.012 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.449 -1.127 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.810 -0.486 -8.107 1.00 0.00 H new ATOM 748 N GLU A 66 9.747 3.021 -5.744 1.00 0.00 N ATOM 749 CA GLU A 66 11.165 3.253 -5.902 1.00 0.00 C ATOM 750 C GLU A 66 11.713 4.206 -4.857 1.00 0.00 C ATOM 751 O GLU A 66 12.831 4.014 -4.381 1.00 0.00 O ATOM 752 CB GLU A 66 11.481 3.746 -7.315 1.00 0.00 C ATOM 753 CG GLU A 66 12.968 3.908 -7.588 1.00 0.00 C ATOM 754 CD GLU A 66 13.257 4.308 -9.020 1.00 0.00 C ATOM 755 OE1 GLU A 66 13.378 3.404 -9.873 1.00 0.00 O ATOM 756 OE2 GLU A 66 13.365 5.523 -9.288 1.00 0.00 O ATOM 0 H GLU A 66 9.157 3.500 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 66 11.665 2.296 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.062 3.045 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.985 4.703 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.377 4.661 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.479 2.971 -7.366 1.00 0.00 H new ATOM 763 N GLU A 67 10.930 5.208 -4.481 1.00 0.00 N ATOM 764 CA GLU A 67 11.413 6.208 -3.553 1.00 0.00 C ATOM 765 C GLU A 67 11.894 5.551 -2.255 1.00 0.00 C ATOM 766 O GLU A 67 12.990 5.838 -1.782 1.00 0.00 O ATOM 767 CB GLU A 67 10.322 7.228 -3.278 1.00 0.00 C ATOM 768 CG GLU A 67 9.183 6.617 -2.558 1.00 0.00 C ATOM 769 CD GLU A 67 8.130 7.623 -2.138 1.00 0.00 C ATOM 770 OE1 GLU A 67 7.448 8.178 -3.023 1.00 0.00 O ATOM 771 OE2 GLU A 67 7.987 7.853 -0.920 1.00 0.00 O ATOM 0 H GLU A 67 9.971 5.345 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 67 12.263 6.724 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.729 8.049 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.974 7.654 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.721 5.863 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.556 6.101 -1.673 1.00 0.00 H new ATOM 778 N VAL A 68 11.083 4.647 -1.699 1.00 0.00 N ATOM 779 CA VAL A 68 11.453 3.974 -0.461 1.00 0.00 C ATOM 780 C VAL A 68 12.419 2.816 -0.711 1.00 0.00 C ATOM 781 O VAL A 68 13.310 2.561 0.100 1.00 0.00 O ATOM 782 CB VAL A 68 10.219 3.466 0.319 1.00 0.00 C ATOM 783 CG1 VAL A 68 9.358 4.634 0.775 1.00 0.00 C ATOM 784 CG2 VAL A 68 9.399 2.496 -0.517 1.00 0.00 C ATOM 0 H VAL A 68 10.180 4.370 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 68 11.957 4.723 0.149 1.00 0.00 H new ATOM 0 HB VAL A 68 10.577 2.931 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.494 4.257 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.943 5.286 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.019 5.197 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.538 2.157 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.055 2.996 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.015 1.639 -0.788 1.00 0.00 H new ATOM 794 N THR A 69 12.253 2.124 -1.837 1.00 0.00 N ATOM 795 CA THR A 69 13.090 0.968 -2.135 1.00 0.00 C ATOM 796 C THR A 69 14.537 1.392 -2.392 1.00 0.00 C ATOM 797 O THR A 69 15.474 0.644 -2.110 1.00 0.00 O ATOM 798 CB THR A 69 12.533 0.157 -3.328 1.00 0.00 C ATOM 799 OG1 THR A 69 11.234 -0.352 -2.999 1.00 0.00 O ATOM 800 CG2 THR A 69 13.447 -1.005 -3.693 1.00 0.00 C ATOM 0 H THR A 69 11.555 2.341 -2.549 1.00 0.00 H new ATOM 0 HA THR A 69 13.076 0.318 -1.260 1.00 0.00 H new ATOM 0 HB THR A 69 12.472 0.826 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.551 0.299 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.022 -1.551 -4.535 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.430 -0.622 -3.967 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.544 -1.674 -2.838 1.00 0.00 H new ATOM 808 N ALA A 70 14.720 2.613 -2.885 1.00 0.00 N ATOM 809 CA ALA A 70 16.059 3.148 -3.105 1.00 0.00 C ATOM 810 C ALA A 70 16.746 3.445 -1.775 1.00 0.00 C ATOM 811 O ALA A 70 17.970 3.520 -1.698 1.00 0.00 O ATOM 812 CB ALA A 70 16.000 4.404 -3.961 1.00 0.00 C ATOM 0 H ALA A 70 13.963 3.247 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 70 16.643 2.395 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 70 17.009 4.788 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.552 4.166 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.397 5.159 -3.458 1.00 0.00 H new ATOM 818 N ILE A 71 15.943 3.611 -0.728 1.00 0.00 N ATOM 819 CA ILE A 71 16.473 3.858 0.605 1.00 0.00 C ATOM 820 C ILE A 71 16.758 2.530 1.301 1.00 0.00 C ATOM 821 O ILE A 71 17.533 2.462 2.255 1.00 0.00 O ATOM 822 CB ILE A 71 15.486 4.674 1.471 1.00 0.00 C ATOM 823 CG1 ILE A 71 14.835 5.784 0.643 1.00 0.00 C ATOM 824 CG2 ILE A 71 16.208 5.267 2.674 1.00 0.00 C ATOM 825 CD1 ILE A 71 13.756 6.548 1.383 1.00 0.00 C ATOM 0 H ILE A 71 14.925 3.579 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 71 17.391 4.434 0.492 1.00 0.00 H new ATOM 0 HB ILE A 71 14.702 4.005 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.606 6.484 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.404 5.347 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.502 5.839 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.631 4.463 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 71 17.008 5.923 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.343 7.317 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.964 5.861 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.184 7.016 2.270 1.00 0.00 H new ATOM 837 N GLY A 72 16.124 1.474 0.807 1.00 0.00 N ATOM 838 CA GLY A 72 16.313 0.171 1.406 1.00 0.00 C ATOM 839 C GLY A 72 15.042 -0.373 2.022 1.00 0.00 C ATOM 840 O GLY A 72 15.030 -1.479 2.559 1.00 0.00 O ATOM 0 H GLY A 72 15.488 1.497 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.673 -0.525 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.086 0.235 2.172 1.00 0.00 H new ATOM 844 N TYR A 73 13.970 0.405 1.951 1.00 0.00 N ATOM 845 CA TYR A 73 12.699 -0.010 2.508 1.00 0.00 C ATOM 846 C TYR A 73 11.903 -0.813 1.485 1.00 0.00 C ATOM 847 O TYR A 73 11.543 -0.298 0.428 1.00 0.00 O ATOM 848 CB TYR A 73 11.902 1.214 2.946 1.00 0.00 C ATOM 849 CG TYR A 73 12.574 2.022 4.032 1.00 0.00 C ATOM 850 CD1 TYR A 73 12.793 1.483 5.294 1.00 0.00 C ATOM 851 CD2 TYR A 73 12.985 3.328 3.796 1.00 0.00 C ATOM 852 CE1 TYR A 73 13.405 2.221 6.289 1.00 0.00 C ATOM 853 CE2 TYR A 73 13.597 4.071 4.786 1.00 0.00 C ATOM 854 CZ TYR A 73 13.805 3.514 6.030 1.00 0.00 C ATOM 855 OH TYR A 73 14.413 4.253 7.017 1.00 0.00 O ATOM 0 H TYR A 73 13.960 1.326 1.512 1.00 0.00 H new ATOM 0 HA TYR A 73 12.888 -0.644 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.733 1.855 2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.923 0.891 3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.480 0.470 5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.823 3.769 2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 73 13.569 1.787 7.264 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.912 5.085 4.587 1.00 0.00 H new ATOM 0 HH TYR A 73 14.633 5.143 6.671 1.00 0.00 H new ATOM 865 N PRO A 74 11.632 -2.092 1.787 1.00 0.00 N ATOM 866 CA PRO A 74 10.883 -2.987 0.896 1.00 0.00 C ATOM 867 C PRO A 74 9.456 -2.518 0.661 1.00 0.00 C ATOM 868 O PRO A 74 8.721 -2.245 1.610 1.00 0.00 O ATOM 869 CB PRO A 74 10.867 -4.306 1.667 1.00 0.00 C ATOM 870 CG PRO A 74 12.022 -4.214 2.583 1.00 0.00 C ATOM 871 CD PRO A 74 12.042 -2.787 3.016 1.00 0.00 C ATOM 0 HA PRO A 74 11.337 -3.044 -0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.934 -4.433 2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.960 -5.159 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.908 -4.886 3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.950 -4.490 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.353 -2.600 3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.031 -2.475 3.351 1.00 0.00 H new ATOM 879 N ALA A 75 9.064 -2.437 -0.599 1.00 0.00 N ATOM 880 CA ALA A 75 7.707 -2.018 -0.915 1.00 0.00 C ATOM 881 C ALA A 75 7.104 -2.853 -2.039 1.00 0.00 C ATOM 882 O ALA A 75 7.815 -3.546 -2.768 1.00 0.00 O ATOM 883 CB ALA A 75 7.693 -0.551 -1.305 1.00 0.00 C ATOM 0 H ALA A 75 9.651 -2.651 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 75 7.100 -2.168 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.673 -0.247 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.069 0.049 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.327 -0.401 -2.179 1.00 0.00 H new ATOM 889 N LYS A 76 5.781 -2.797 -2.148 1.00 0.00 N ATOM 890 CA LYS A 76 5.062 -3.322 -3.306 1.00 0.00 C ATOM 891 C LYS A 76 3.792 -2.530 -3.540 1.00 0.00 C ATOM 892 O LYS A 76 3.240 -1.932 -2.615 1.00 0.00 O ATOM 893 CB LYS A 76 4.654 -4.799 -3.164 1.00 0.00 C ATOM 894 CG LYS A 76 4.726 -5.381 -1.760 1.00 0.00 C ATOM 895 CD LYS A 76 6.010 -6.164 -1.538 1.00 0.00 C ATOM 896 CE LYS A 76 5.844 -7.164 -0.407 1.00 0.00 C ATOM 897 NZ LYS A 76 7.110 -7.878 -0.092 1.00 0.00 N ATOM 0 H LYS A 76 5.176 -2.387 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 76 5.759 -3.234 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.633 -4.910 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.292 -5.396 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.661 -4.575 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.869 -6.033 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.285 -6.687 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.824 -5.478 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.491 -6.645 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.078 -7.891 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.923 -8.898 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.801 -7.710 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.492 -7.526 0.809 1.00 0.00 H new ATOM 911 N CYS A 77 3.340 -2.526 -4.779 1.00 0.00 N ATOM 912 CA CYS A 77 1.987 -2.111 -5.063 1.00 0.00 C ATOM 913 C CYS A 77 1.298 -3.151 -5.930 1.00 0.00 C ATOM 914 O CYS A 77 1.636 -3.348 -7.101 1.00 0.00 O ATOM 915 CB CYS A 77 1.907 -0.735 -5.717 1.00 0.00 C ATOM 916 SG CYS A 77 2.956 -0.492 -7.178 1.00 0.00 S ATOM 0 H CYS A 77 3.886 -2.803 -5.595 1.00 0.00 H new ATOM 0 HA CYS A 77 1.472 -2.027 -4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.871 -0.549 -6.002 1.00 0.00 H new ATOM 0 HB3 CYS A 77 2.173 0.016 -4.973 1.00 0.00 H new ATOM 921 N CYS A 78 0.330 -3.812 -5.340 1.00 0.00 N ATOM 922 CA CYS A 78 -0.430 -4.828 -6.049 1.00 0.00 C ATOM 923 C CYS A 78 -1.820 -4.305 -6.385 1.00 0.00 C ATOM 924 O CYS A 78 -2.325 -3.406 -5.718 1.00 0.00 O ATOM 925 CB CYS A 78 -0.534 -6.065 -5.163 1.00 0.00 C ATOM 926 SG CYS A 78 -0.907 -5.665 -3.426 1.00 0.00 S ATOM 0 H CYS A 78 0.046 -3.668 -4.371 1.00 0.00 H new ATOM 0 HA CYS A 78 0.074 -5.082 -6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.311 -6.721 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.404 -6.619 -5.210 1.00 0.00 H new ATOM 931 N CYS A 79 -2.416 -4.832 -7.444 1.00 0.00 N ATOM 932 CA CYS A 79 -3.761 -4.424 -7.810 1.00 0.00 C ATOM 933 C CYS A 79 -4.737 -5.559 -7.542 1.00 0.00 C ATOM 934 O CYS A 79 -4.833 -6.503 -8.327 1.00 0.00 O ATOM 935 CB CYS A 79 -3.809 -4.008 -9.281 1.00 0.00 C ATOM 936 SG CYS A 79 -3.068 -5.211 -10.409 1.00 0.00 S ATOM 0 H CYS A 79 -1.997 -5.532 -8.056 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.049 -3.565 -7.203 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.848 -3.847 -9.569 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.295 -3.054 -9.395 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.438 -6.410 -10.069 1.00 0.00 H new ATOM 942 N GLU A 80 -5.433 -5.452 -6.421 1.00 0.00 N ATOM 943 CA GLU A 80 -6.380 -6.461 -5.964 1.00 0.00 C ATOM 944 C GLU A 80 -6.853 -6.067 -4.575 1.00 0.00 C ATOM 945 O GLU A 80 -6.074 -5.503 -3.800 1.00 0.00 O ATOM 946 CB GLU A 80 -5.726 -7.851 -5.917 1.00 0.00 C ATOM 947 CG GLU A 80 -6.668 -8.966 -5.495 1.00 0.00 C ATOM 948 CD GLU A 80 -7.894 -9.051 -6.379 1.00 0.00 C ATOM 949 OE1 GLU A 80 -8.873 -8.327 -6.097 1.00 0.00 O ATOM 950 OE2 GLU A 80 -7.873 -9.830 -7.353 1.00 0.00 O ATOM 0 H GLU A 80 -5.356 -4.652 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.219 -6.513 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.322 -8.084 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.883 -7.821 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.136 -9.917 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.978 -8.805 -4.463 1.00 0.00 H new ATOM 957 N ASP A 81 -8.110 -6.340 -4.256 1.00 0.00 N ATOM 958 CA ASP A 81 -8.605 -5.980 -2.934 1.00 0.00 C ATOM 959 C ASP A 81 -7.829 -6.711 -1.857 1.00 0.00 C ATOM 960 O ASP A 81 -7.494 -7.889 -1.998 1.00 0.00 O ATOM 961 CB ASP A 81 -10.096 -6.282 -2.743 1.00 0.00 C ATOM 962 CG ASP A 81 -11.009 -5.383 -3.553 1.00 0.00 C ATOM 963 OD1 ASP A 81 -10.749 -4.163 -3.620 1.00 0.00 O ATOM 964 OD2 ASP A 81 -12.029 -5.875 -4.082 1.00 0.00 O ATOM 0 H ASP A 81 -8.786 -6.794 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.465 -4.902 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.285 -7.320 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.346 -6.181 -1.687 1.00 0.00 H new ATOM 969 N LEU A 82 -7.533 -5.987 -0.789 1.00 0.00 N ATOM 970 CA LEU A 82 -6.948 -6.562 0.419 1.00 0.00 C ATOM 971 C LEU A 82 -5.564 -7.165 0.144 1.00 0.00 C ATOM 972 O LEU A 82 -5.057 -7.953 0.949 1.00 0.00 O ATOM 973 CB LEU A 82 -7.865 -7.653 1.026 1.00 0.00 C ATOM 974 CG LEU A 82 -9.371 -7.332 1.167 1.00 0.00 C ATOM 975 CD1 LEU A 82 -9.642 -5.840 1.313 1.00 0.00 C ATOM 976 CD2 LEU A 82 -10.165 -7.938 0.023 1.00 0.00 C ATOM 0 H LEU A 82 -7.691 -4.981 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.843 -5.745 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.770 -8.550 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.481 -7.901 2.016 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.710 -7.794 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.715 -5.673 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.136 -5.464 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.270 -5.315 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.221 -7.698 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.808 -7.531 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.037 -9.020 0.024 1.00 0.00 H new ATOM 988 N CYS A 83 -4.946 -6.782 -0.972 1.00 0.00 N ATOM 989 CA CYS A 83 -3.668 -7.383 -1.348 1.00 0.00 C ATOM 990 C CYS A 83 -2.516 -6.760 -0.559 1.00 0.00 C ATOM 991 O CYS A 83 -1.591 -7.457 -0.143 1.00 0.00 O ATOM 992 CB CYS A 83 -3.411 -7.236 -2.854 1.00 0.00 C ATOM 993 SG CYS A 83 -2.934 -5.561 -3.375 1.00 0.00 S ATOM 0 H CYS A 83 -5.299 -6.076 -1.618 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.722 -8.445 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.624 -7.932 -3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.311 -7.529 -3.394 1.00 0.00 H new ATOM 998 N ASN A 84 -2.591 -5.449 -0.321 1.00 0.00 N ATOM 999 CA ASN A 84 -1.509 -4.748 0.375 1.00 0.00 C ATOM 1000 C ASN A 84 -1.528 -5.075 1.862 1.00 0.00 C ATOM 1001 O ASN A 84 -0.669 -4.636 2.619 1.00 0.00 O ATOM 1002 CB ASN A 84 -1.604 -3.230 0.183 1.00 0.00 C ATOM 1003 CG ASN A 84 -2.722 -2.581 0.982 1.00 0.00 C ATOM 1004 OD1 ASN A 84 -3.795 -3.158 1.171 1.00 0.00 O ATOM 1005 ND2 ASN A 84 -2.467 -1.375 1.468 1.00 0.00 N ATOM 0 H ASN A 84 -3.376 -4.858 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.570 -5.091 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.655 -2.777 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.754 -3.015 -0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.172 -0.889 2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.566 -0.933 1.288 1.00 0.00 H new ATOM 1012 N ARG A 85 -2.529 -5.841 2.261 1.00 0.00 N ATOM 1013 CA ARG A 85 -2.692 -6.272 3.640 1.00 0.00 C ATOM 1014 C ARG A 85 -1.576 -7.216 4.062 1.00 0.00 C ATOM 1015 O ARG A 85 -0.970 -7.037 5.115 1.00 0.00 O ATOM 1016 CB ARG A 85 -4.048 -6.965 3.777 1.00 0.00 C ATOM 1017 CG ARG A 85 -4.174 -7.895 4.972 1.00 0.00 C ATOM 1018 CD ARG A 85 -5.357 -8.835 4.796 1.00 0.00 C ATOM 1019 NE ARG A 85 -5.360 -9.452 3.465 1.00 0.00 N ATOM 1020 CZ ARG A 85 -5.491 -10.761 3.240 1.00 0.00 C ATOM 1021 NH1 ARG A 85 -5.617 -11.610 4.255 1.00 0.00 N ATOM 1022 NH2 ARG A 85 -5.485 -11.217 1.991 1.00 0.00 N ATOM 0 H ARG A 85 -3.256 -6.184 1.634 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.646 -5.400 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.824 -6.203 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.241 -7.536 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.257 -8.473 5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.300 -7.310 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.322 -9.613 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.286 -8.284 4.945 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.255 -8.839 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.614 -11.262 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.717 -12.609 4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.381 -10.568 1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.585 -12.216 1.812 1.00 0.00 H new ATOM 1036 N SER A 86 -1.323 -8.218 3.239 1.00 0.00 N ATOM 1037 CA SER A 86 -0.334 -9.227 3.568 1.00 0.00 C ATOM 1038 C SER A 86 0.120 -9.952 2.310 1.00 0.00 C ATOM 1039 O SER A 86 -0.703 -10.333 1.478 1.00 0.00 O ATOM 1040 CB SER A 86 -0.921 -10.226 4.571 1.00 0.00 C ATOM 1041 OG SER A 86 -2.159 -10.748 4.105 1.00 0.00 O ATOM 0 H SER A 86 -1.787 -8.354 2.341 1.00 0.00 H new ATOM 0 HA SER A 86 0.530 -8.739 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.216 -11.042 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.068 -9.736 5.534 1.00 0.00 H new ATOM 0 HG SER A 86 -2.513 -11.384 4.761 1.00 0.00 H new ATOM 1047 N GLU A 87 1.424 -10.141 2.181 1.00 0.00 N ATOM 1048 CA GLU A 87 1.977 -10.828 1.023 1.00 0.00 C ATOM 1049 C GLU A 87 1.976 -12.339 1.240 1.00 0.00 C ATOM 1050 O GLU A 87 2.316 -13.112 0.347 1.00 0.00 O ATOM 1051 CB GLU A 87 3.394 -10.328 0.747 1.00 0.00 C ATOM 1052 CG GLU A 87 4.353 -10.529 1.909 1.00 0.00 C ATOM 1053 CD GLU A 87 5.665 -9.813 1.695 1.00 0.00 C ATOM 1054 OE1 GLU A 87 6.481 -10.280 0.876 1.00 0.00 O ATOM 1055 OE2 GLU A 87 5.874 -8.752 2.314 1.00 0.00 O ATOM 0 H GLU A 87 2.118 -9.830 2.861 1.00 0.00 H new ATOM 0 HA GLU A 87 1.352 -10.610 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.787 -10.843 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.353 -9.267 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.889 -10.168 2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.540 -11.594 2.044 1.00 0.00 H new ATOM 1062 N GLN A 88 1.582 -12.750 2.437 1.00 0.00 N ATOM 1063 CA GLN A 88 1.521 -14.167 2.761 1.00 0.00 C ATOM 1064 C GLN A 88 0.143 -14.726 2.430 1.00 0.00 C ATOM 1065 O GLN A 88 -0.869 -14.043 2.613 1.00 0.00 O ATOM 1066 CB GLN A 88 1.832 -14.388 4.241 1.00 0.00 C ATOM 1067 CG GLN A 88 3.192 -13.856 4.665 1.00 0.00 C ATOM 1068 CD GLN A 88 3.455 -14.051 6.145 1.00 0.00 C ATOM 1069 OE1 GLN A 88 3.128 -13.194 6.961 1.00 0.00 O ATOM 1070 NE2 GLN A 88 4.046 -15.181 6.500 1.00 0.00 N ATOM 0 H GLN A 88 1.302 -12.127 3.195 1.00 0.00 H new ATOM 0 HA GLN A 88 2.267 -14.690 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.060 -13.907 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.785 -15.455 4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.970 -14.359 4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.255 -12.795 4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.302 -15.868 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.246 -15.365 7.483 1.00 0.00 H new TER 1079 GLN A 88