USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 473 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 Single : A 1 ASP N :NH3+ -129:sc= 0.822 (180deg=-0.84) USER MOD Single : A 4 SER OG : rot 75:sc= 0.8 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0421) USER MOD Single : A 11 GLN :FLIP amide:sc= -3.29! C(o=-6.7!,f=-3.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -95:sc= 0.301 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.301 F(o=-0.97,f=-0.3) USER MOD Single : A 21 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.51) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -152:sc= 0 (180deg=-0.355) USER MOD Single : A 30 ASN :FLIP amide:sc= -2.88! C(o=-3.4!,f=-2.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.46! C(o=-7.5!,f=-13!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.9) USER MOD Single : A 55 THR OG1 : rot 151:sc= -0.511! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.359 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0477 K(o=-0.048,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 27.108 -3.090 -9.508 1.00 0.00 N ATOM 2 CA ASP A 1 27.613 -4.303 -8.823 1.00 0.00 C ATOM 3 C ASP A 1 27.847 -4.009 -7.345 1.00 0.00 C ATOM 4 O ASP A 1 27.634 -4.856 -6.500 1.00 0.00 O ATOM 5 CB ASP A 1 28.945 -4.740 -9.451 1.00 0.00 C ATOM 6 CG ASP A 1 28.848 -4.626 -10.976 1.00 0.00 C ATOM 7 OD1 ASP A 1 28.746 -3.497 -11.429 1.00 0.00 O ATOM 8 OD2 ASP A 1 28.883 -5.673 -11.601 1.00 0.00 O ATOM 0 H1 ASP A 1 26.250 -3.327 -10.046 1.00 0.00 H new ATOM 0 H2 ASP A 1 26.884 -2.360 -8.802 1.00 0.00 H new ATOM 0 H3 ASP A 1 27.836 -2.730 -10.158 1.00 0.00 H new ATOM 0 HA ASP A 1 26.872 -5.095 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 1 29.758 -4.116 -9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 1 29.175 -5.766 -9.166 1.00 0.00 H new ATOM 15 N ASP A 2 28.282 -2.812 -7.061 1.00 0.00 N ATOM 16 CA ASP A 2 28.535 -2.444 -5.645 1.00 0.00 C ATOM 17 C ASP A 2 28.445 -0.934 -5.457 1.00 0.00 C ATOM 18 O ASP A 2 28.802 -0.410 -4.420 1.00 0.00 O ATOM 19 CB ASP A 2 29.949 -2.906 -5.269 1.00 0.00 C ATOM 20 CG ASP A 2 30.071 -2.977 -3.745 1.00 0.00 C ATOM 21 OD1 ASP A 2 29.313 -3.746 -3.177 1.00 0.00 O ATOM 22 OD2 ASP A 2 30.914 -2.258 -3.236 1.00 0.00 O ATOM 0 H ASP A 2 28.471 -2.079 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 2 27.787 -2.921 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.153 -3.883 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.689 -2.215 -5.672 1.00 0.00 H new ATOM 27 N GLU A 3 27.970 -0.260 -6.469 1.00 0.00 N ATOM 28 CA GLU A 3 27.848 1.215 -6.374 1.00 0.00 C ATOM 29 C GLU A 3 27.139 1.620 -5.089 1.00 0.00 C ATOM 30 O GLU A 3 26.345 0.873 -4.552 1.00 0.00 O ATOM 31 CB GLU A 3 27.017 1.710 -7.565 1.00 0.00 C ATOM 32 CG GLU A 3 27.564 1.091 -8.852 1.00 0.00 C ATOM 33 CD GLU A 3 27.435 2.105 -9.991 1.00 0.00 C ATOM 34 OE1 GLU A 3 26.415 2.774 -10.007 1.00 0.00 O ATOM 35 OE2 GLU A 3 28.364 2.152 -10.780 1.00 0.00 O ATOM 0 H GLU A 3 27.663 -0.668 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 3 28.846 1.653 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.970 1.436 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 3 27.057 2.798 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 3 28.608 0.807 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.015 0.181 -9.095 1.00 0.00 H new ATOM 42 N SER A 4 27.438 2.799 -4.618 1.00 0.00 N ATOM 43 CA SER A 4 26.790 3.268 -3.371 1.00 0.00 C ATOM 44 C SER A 4 25.470 3.962 -3.686 1.00 0.00 C ATOM 45 O SER A 4 25.161 4.998 -3.132 1.00 0.00 O ATOM 46 CB SER A 4 27.729 4.269 -2.682 1.00 0.00 C ATOM 47 OG SER A 4 27.640 5.438 -3.481 1.00 0.00 O ATOM 0 H SER A 4 28.098 3.451 -5.042 1.00 0.00 H new ATOM 0 HA SER A 4 26.593 2.414 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 4 27.419 4.464 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 4 28.751 3.892 -2.640 1.00 0.00 H new ATOM 0 HG SER A 4 26.783 5.883 -3.316 1.00 0.00 H new ATOM 53 N SER A 5 24.715 3.374 -4.575 1.00 0.00 N ATOM 54 CA SER A 5 23.413 3.980 -4.943 1.00 0.00 C ATOM 55 C SER A 5 22.292 3.428 -4.074 1.00 0.00 C ATOM 56 O SER A 5 22.113 3.839 -2.945 1.00 0.00 O ATOM 57 CB SER A 5 23.119 3.635 -6.412 1.00 0.00 C ATOM 58 OG SER A 5 23.873 4.587 -7.149 1.00 0.00 O ATOM 0 H SER A 5 24.946 2.505 -5.057 1.00 0.00 H new ATOM 0 HA SER A 5 23.467 5.059 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.422 2.616 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.055 3.711 -6.634 1.00 0.00 H new ATOM 0 HG SER A 5 23.743 4.436 -8.108 1.00 0.00 H new ATOM 64 N LYS A 6 21.559 2.507 -4.620 1.00 0.00 N ATOM 65 CA LYS A 6 20.444 1.909 -3.854 1.00 0.00 C ATOM 66 C LYS A 6 20.970 1.187 -2.589 1.00 0.00 C ATOM 67 O LYS A 6 22.050 0.631 -2.615 1.00 0.00 O ATOM 68 CB LYS A 6 19.751 0.868 -4.750 1.00 0.00 C ATOM 69 CG LYS A 6 19.703 1.387 -6.187 1.00 0.00 C ATOM 70 CD LYS A 6 18.725 0.531 -6.996 1.00 0.00 C ATOM 71 CE LYS A 6 18.964 0.769 -8.489 1.00 0.00 C ATOM 72 NZ LYS A 6 18.658 2.182 -8.847 1.00 0.00 N ATOM 0 H LYS A 6 21.685 2.143 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 6 19.756 2.699 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.291 -0.078 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.741 0.674 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.389 2.431 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.696 1.348 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.862 -0.524 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.698 0.786 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.000 0.541 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.339 0.095 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.644 2.283 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.729 2.445 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.388 2.807 -8.449 1.00 0.00 H new ATOM 86 N PRO A 7 20.201 1.199 -1.492 1.00 0.00 N ATOM 87 CA PRO A 7 20.638 0.532 -0.260 1.00 0.00 C ATOM 88 C PRO A 7 20.653 -0.990 -0.434 1.00 0.00 C ATOM 89 O PRO A 7 19.636 -1.639 -0.277 1.00 0.00 O ATOM 90 CB PRO A 7 19.574 0.909 0.792 1.00 0.00 C ATOM 91 CG PRO A 7 18.397 1.581 0.036 1.00 0.00 C ATOM 92 CD PRO A 7 18.886 1.877 -1.391 1.00 0.00 C ATOM 0 HA PRO A 7 21.647 0.836 0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 7 19.232 0.023 1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.992 1.588 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.527 0.925 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.092 2.500 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 7 18.187 1.496 -2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.980 2.949 -1.562 1.00 0.00 H new ATOM 100 N CYS A 8 21.803 -1.530 -0.761 1.00 0.00 N ATOM 101 CA CYS A 8 21.896 -3.009 -0.947 1.00 0.00 C ATOM 102 C CYS A 8 22.650 -3.652 0.186 1.00 0.00 C ATOM 103 O CYS A 8 22.798 -3.081 1.248 1.00 0.00 O ATOM 104 CB CYS A 8 22.655 -3.301 -2.247 1.00 0.00 C ATOM 105 SG CYS A 8 24.428 -3.682 -2.131 1.00 0.00 S ATOM 0 H CYS A 8 22.672 -1.015 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 8 20.884 -3.413 -0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.164 -4.141 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.541 -2.437 -2.902 1.00 0.00 H new ATOM 110 N CYS A 9 23.111 -4.836 -0.063 1.00 0.00 N ATOM 111 CA CYS A 9 23.871 -5.553 0.997 1.00 0.00 C ATOM 112 C CYS A 9 24.987 -6.416 0.438 1.00 0.00 C ATOM 113 O CYS A 9 25.190 -6.511 -0.756 1.00 0.00 O ATOM 114 CB CYS A 9 22.918 -6.481 1.749 1.00 0.00 C ATOM 115 SG CYS A 9 23.127 -6.603 3.537 1.00 0.00 S ATOM 0 H CYS A 9 22.999 -5.339 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 9 24.309 -4.791 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.898 -6.152 1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.018 -7.481 1.328 1.00 0.00 H new ATOM 120 N ASP A 10 25.687 -7.023 1.348 1.00 0.00 N ATOM 121 CA ASP A 10 26.814 -7.909 0.983 1.00 0.00 C ATOM 122 C ASP A 10 27.010 -8.903 2.117 1.00 0.00 C ATOM 123 O ASP A 10 27.296 -10.065 1.906 1.00 0.00 O ATOM 124 CB ASP A 10 28.082 -7.058 0.820 1.00 0.00 C ATOM 125 CG ASP A 10 27.985 -6.255 -0.479 1.00 0.00 C ATOM 126 OD1 ASP A 10 28.186 -6.870 -1.513 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.715 -5.069 -0.365 1.00 0.00 O ATOM 0 H ASP A 10 25.520 -6.939 2.351 1.00 0.00 H new ATOM 0 HA ASP A 10 26.611 -8.435 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.195 -6.385 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.964 -7.698 0.801 1.00 0.00 H new ATOM 132 N GLN A 11 26.849 -8.396 3.308 1.00 0.00 N ATOM 133 CA GLN A 11 26.998 -9.228 4.517 1.00 0.00 C ATOM 134 C GLN A 11 25.799 -8.981 5.415 1.00 0.00 C ATOM 135 O GLN A 11 25.222 -7.916 5.380 1.00 0.00 O ATOM 136 CB GLN A 11 28.262 -8.787 5.261 1.00 0.00 C ATOM 137 CG GLN A 11 29.373 -9.809 5.021 1.00 0.00 C ATOM 138 CD GLN A 11 29.617 -9.953 3.518 1.00 0.00 C ATOM 139 OE1 GLN A 11 29.612 -8.884 2.771 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 29.814 -11.039 3.010 1.00 0.00 N flip ATOM 0 H GLN A 11 26.616 -7.420 3.489 1.00 0.00 H new ATOM 0 HA GLN A 11 27.066 -10.282 4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.577 -7.803 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.058 -8.699 6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 11 30.288 -9.491 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.095 -10.772 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 11 29.819 -11.879 3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 11 29.974 -11.111 2.005 1.00 0.00 H new ATOM 149 N CYS A 12 25.429 -9.948 6.193 1.00 0.00 N ATOM 150 CA CYS A 12 24.260 -9.727 7.078 1.00 0.00 C ATOM 151 C CYS A 12 24.345 -10.566 8.337 1.00 0.00 C ATOM 152 O CYS A 12 24.886 -11.654 8.334 1.00 0.00 O ATOM 153 CB CYS A 12 22.984 -10.119 6.321 1.00 0.00 C ATOM 154 SG CYS A 12 21.493 -10.409 7.312 1.00 0.00 S ATOM 0 H CYS A 12 25.873 -10.864 6.257 1.00 0.00 H new ATOM 0 HA CYS A 12 24.246 -8.675 7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.763 -9.332 5.600 1.00 0.00 H new ATOM 0 HB3 CYS A 12 23.193 -11.024 5.751 1.00 0.00 H new ATOM 159 N ALA A 13 23.803 -10.038 9.393 1.00 0.00 N ATOM 160 CA ALA A 13 23.829 -10.780 10.682 1.00 0.00 C ATOM 161 C ALA A 13 22.554 -10.507 11.469 1.00 0.00 C ATOM 162 O ALA A 13 21.956 -9.460 11.320 1.00 0.00 O ATOM 163 CB ALA A 13 25.037 -10.298 11.497 1.00 0.00 C ATOM 0 H ALA A 13 23.344 -9.128 9.422 1.00 0.00 H new ATOM 0 HA ALA A 13 23.902 -11.850 10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 13 25.072 -10.832 12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.953 -10.491 10.939 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.945 -9.228 11.686 1.00 0.00 H new ATOM 169 N CYS A 14 22.154 -11.455 12.293 1.00 0.00 N ATOM 170 CA CYS A 14 20.915 -11.250 13.091 1.00 0.00 C ATOM 171 C CYS A 14 21.115 -11.574 14.556 1.00 0.00 C ATOM 172 O CYS A 14 21.934 -12.399 14.913 1.00 0.00 O ATOM 173 CB CYS A 14 19.818 -12.162 12.535 1.00 0.00 C ATOM 174 SG CYS A 14 18.364 -11.367 11.808 1.00 0.00 S ATOM 0 H CYS A 14 22.630 -12.345 12.440 1.00 0.00 H new ATOM 0 HA CYS A 14 20.639 -10.198 13.015 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.266 -12.804 11.776 1.00 0.00 H new ATOM 0 HB3 CYS A 14 19.479 -12.812 13.342 1.00 0.00 H new ATOM 179 N THR A 15 20.346 -10.903 15.376 1.00 0.00 N ATOM 180 CA THR A 15 20.438 -11.125 16.840 1.00 0.00 C ATOM 181 C THR A 15 19.167 -11.795 17.345 1.00 0.00 C ATOM 182 O THR A 15 18.088 -11.539 16.847 1.00 0.00 O ATOM 183 CB THR A 15 20.597 -9.754 17.521 1.00 0.00 C ATOM 184 OG1 THR A 15 21.966 -9.666 17.863 1.00 0.00 O ATOM 185 CG2 THR A 15 19.860 -9.703 18.873 1.00 0.00 C ATOM 0 H THR A 15 19.657 -10.209 15.087 1.00 0.00 H new ATOM 0 HA THR A 15 21.288 -11.768 17.068 1.00 0.00 H new ATOM 0 HB THR A 15 20.219 -8.976 16.858 1.00 0.00 H new ATOM 0 HG1 THR A 15 22.139 -8.808 18.303 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.995 -8.720 19.324 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.797 -9.887 18.715 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.266 -10.466 19.538 1.00 0.00 H new ATOM 193 N LYS A 16 19.314 -12.639 18.324 1.00 0.00 N ATOM 194 CA LYS A 16 18.125 -13.333 18.871 1.00 0.00 C ATOM 195 C LYS A 16 17.154 -12.343 19.506 1.00 0.00 C ATOM 196 O LYS A 16 17.323 -11.949 20.643 1.00 0.00 O ATOM 197 CB LYS A 16 18.594 -14.316 19.952 1.00 0.00 C ATOM 198 CG LYS A 16 18.826 -15.692 19.323 1.00 0.00 C ATOM 199 CD LYS A 16 17.512 -16.474 19.330 1.00 0.00 C ATOM 200 CE LYS A 16 17.646 -17.687 18.408 1.00 0.00 C ATOM 201 NZ LYS A 16 16.739 -18.782 18.850 1.00 0.00 N ATOM 0 H LYS A 16 20.202 -12.876 18.766 1.00 0.00 H new ATOM 0 HA LYS A 16 17.615 -13.849 18.058 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.513 -13.955 20.413 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.847 -14.387 20.743 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.192 -15.582 18.302 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.590 -16.236 19.879 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.272 -16.797 20.343 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.693 -15.837 18.996 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.407 -17.401 17.384 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.678 -18.039 18.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.843 -19.597 18.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.985 -19.067 19.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.754 -18.448 18.827 1.00 0.00 H new ATOM 215 N SER A 17 16.157 -11.958 18.755 1.00 0.00 N ATOM 216 CA SER A 17 15.158 -10.995 19.291 1.00 0.00 C ATOM 217 C SER A 17 13.755 -11.399 18.852 1.00 0.00 C ATOM 218 O SER A 17 13.597 -12.292 18.043 1.00 0.00 O ATOM 219 CB SER A 17 15.480 -9.593 18.744 1.00 0.00 C ATOM 220 OG SER A 17 14.439 -8.773 19.255 1.00 0.00 O ATOM 0 H SER A 17 15.993 -12.269 17.797 1.00 0.00 H new ATOM 0 HA SER A 17 15.201 -10.993 20.380 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.459 -9.250 19.079 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.495 -9.584 17.654 1.00 0.00 H new ATOM 0 HG SER A 17 13.723 -8.701 18.590 1.00 0.00 H new ATOM 226 N ASN A 18 12.762 -10.733 19.392 1.00 0.00 N ATOM 227 CA ASN A 18 11.359 -11.068 19.017 1.00 0.00 C ATOM 228 C ASN A 18 10.529 -9.792 18.726 1.00 0.00 C ATOM 229 O ASN A 18 10.068 -9.150 19.649 1.00 0.00 O ATOM 230 CB ASN A 18 10.717 -11.781 20.219 1.00 0.00 C ATOM 231 CG ASN A 18 11.311 -11.228 21.516 1.00 0.00 C ATOM 232 OD1 ASN A 18 12.477 -11.657 21.912 1.00 0.00 O flip ATOM 233 ND2 ASN A 18 10.718 -10.400 22.180 1.00 0.00 N flip ATOM 0 H ASN A 18 12.865 -9.978 20.071 1.00 0.00 H new ATOM 0 HA ASN A 18 11.371 -11.688 18.120 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.637 -11.633 20.209 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.892 -12.855 20.155 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.806 -10.060 21.876 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.133 -10.045 23.041 1.00 0.00 H new ATOM 240 N PRO A 19 10.338 -9.430 17.446 1.00 0.00 N ATOM 241 CA PRO A 19 10.872 -10.154 16.270 1.00 0.00 C ATOM 242 C PRO A 19 12.408 -10.130 16.244 1.00 0.00 C ATOM 243 O PRO A 19 13.028 -9.396 16.988 1.00 0.00 O ATOM 244 CB PRO A 19 10.345 -9.363 15.054 1.00 0.00 C ATOM 245 CG PRO A 19 9.530 -8.156 15.592 1.00 0.00 C ATOM 246 CD PRO A 19 9.542 -8.240 17.123 1.00 0.00 C ATOM 0 HA PRO A 19 10.566 -11.200 16.281 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.173 -9.019 14.434 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.719 -9.998 14.427 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.969 -7.216 15.256 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.508 -8.184 15.214 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.981 -7.344 17.561 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.530 -8.326 17.519 1.00 0.00 H new ATOM 254 N PRO A 20 12.999 -10.940 15.379 1.00 0.00 N ATOM 255 CA PRO A 20 14.458 -10.997 15.265 1.00 0.00 C ATOM 256 C PRO A 20 15.023 -9.649 14.812 1.00 0.00 C ATOM 257 O PRO A 20 14.354 -8.897 14.129 1.00 0.00 O ATOM 258 CB PRO A 20 14.728 -12.051 14.172 1.00 0.00 C ATOM 259 CG PRO A 20 13.350 -12.548 13.647 1.00 0.00 C ATOM 260 CD PRO A 20 12.264 -11.854 14.482 1.00 0.00 C ATOM 0 HA PRO A 20 14.924 -11.241 16.220 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.314 -11.620 13.360 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.306 -12.882 14.576 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.233 -12.309 12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.272 -13.631 13.739 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.566 -11.308 13.847 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.679 -12.578 15.049 1.00 0.00 H new ATOM 268 N GLN A 21 16.242 -9.370 15.202 1.00 0.00 N ATOM 269 CA GLN A 21 16.869 -8.083 14.806 1.00 0.00 C ATOM 270 C GLN A 21 17.893 -8.363 13.724 1.00 0.00 C ATOM 271 O GLN A 21 18.445 -9.442 13.685 1.00 0.00 O ATOM 272 CB GLN A 21 17.574 -7.497 16.035 1.00 0.00 C ATOM 273 CG GLN A 21 16.733 -6.349 16.599 1.00 0.00 C ATOM 274 CD GLN A 21 17.350 -5.869 17.915 1.00 0.00 C ATOM 275 OE1 GLN A 21 18.546 -5.683 18.021 1.00 0.00 O ATOM 276 NE2 GLN A 21 16.570 -5.657 18.939 1.00 0.00 N ATOM 0 H GLN A 21 16.825 -9.980 15.776 1.00 0.00 H new ATOM 0 HA GLN A 21 16.122 -7.382 14.435 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.712 -8.269 16.792 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.566 -7.137 15.763 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.691 -5.528 15.883 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.708 -6.681 16.764 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.565 -5.812 18.855 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.965 -5.337 19.823 1.00 0.00 H new ATOM 285 N CYS A 22 18.156 -7.417 12.859 1.00 0.00 N ATOM 286 CA CYS A 22 19.160 -7.728 11.814 1.00 0.00 C ATOM 287 C CYS A 22 19.813 -6.522 11.177 1.00 0.00 C ATOM 288 O CYS A 22 19.162 -5.622 10.686 1.00 0.00 O ATOM 289 CB CYS A 22 18.468 -8.539 10.712 1.00 0.00 C ATOM 290 SG CYS A 22 19.125 -10.189 10.354 1.00 0.00 S ATOM 0 H CYS A 22 17.739 -6.487 12.832 1.00 0.00 H new ATOM 0 HA CYS A 22 19.959 -8.277 12.313 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.417 -8.646 10.982 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.503 -7.956 9.792 1.00 0.00 H new ATOM 295 N ARG A 23 21.118 -6.551 11.209 1.00 0.00 N ATOM 296 CA ARG A 23 21.910 -5.468 10.630 1.00 0.00 C ATOM 297 C ARG A 23 22.498 -5.948 9.307 1.00 0.00 C ATOM 298 O ARG A 23 23.062 -7.022 9.240 1.00 0.00 O ATOM 299 CB ARG A 23 23.046 -5.154 11.609 1.00 0.00 C ATOM 300 CG ARG A 23 24.112 -6.254 11.531 1.00 0.00 C ATOM 301 CD ARG A 23 25.004 -6.185 12.773 1.00 0.00 C ATOM 302 NE ARG A 23 25.950 -7.337 12.749 1.00 0.00 N ATOM 303 CZ ARG A 23 26.733 -7.546 13.772 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.449 -6.981 14.913 1.00 0.00 N ATOM 305 NH2 ARG A 23 27.775 -8.318 13.619 1.00 0.00 N ATOM 0 H ARG A 23 21.666 -7.304 11.625 1.00 0.00 H new ATOM 0 HA ARG A 23 21.300 -4.581 10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 23 23.489 -4.187 11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.656 -5.083 12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.637 -7.233 11.465 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.713 -6.130 10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.555 -5.245 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.396 -6.215 13.677 1.00 0.00 H new ATOM 0 HE ARG A 23 25.985 -7.957 11.940 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.625 -6.386 14.996 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.051 -7.134 15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 27.965 -8.745 12.712 1.00 0.00 H new ATOM 0 HH22 ARG A 23 28.399 -8.494 14.406 1.00 0.00 H new ATOM 319 N CYS A 24 22.352 -5.157 8.283 1.00 0.00 N ATOM 320 CA CYS A 24 22.899 -5.563 6.959 1.00 0.00 C ATOM 321 C CYS A 24 24.088 -4.700 6.571 1.00 0.00 C ATOM 322 O CYS A 24 24.270 -3.622 7.098 1.00 0.00 O ATOM 323 CB CYS A 24 21.788 -5.373 5.919 1.00 0.00 C ATOM 324 SG CYS A 24 22.286 -4.918 4.247 1.00 0.00 S ATOM 0 H CYS A 24 21.881 -4.253 8.304 1.00 0.00 H new ATOM 0 HA CYS A 24 23.232 -6.600 7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.219 -6.301 5.860 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.108 -4.605 6.289 1.00 0.00 H new ATOM 329 N SER A 25 24.884 -5.188 5.652 1.00 0.00 N ATOM 330 CA SER A 25 26.058 -4.394 5.236 1.00 0.00 C ATOM 331 C SER A 25 26.831 -3.991 6.470 1.00 0.00 C ATOM 332 O SER A 25 27.300 -2.877 6.592 1.00 0.00 O ATOM 333 CB SER A 25 25.555 -3.143 4.516 1.00 0.00 C ATOM 334 OG SER A 25 26.534 -2.898 3.516 1.00 0.00 O ATOM 0 H SER A 25 24.767 -6.087 5.184 1.00 0.00 H new ATOM 0 HA SER A 25 26.704 -4.972 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.570 -3.305 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.465 -2.299 5.200 1.00 0.00 H new ATOM 0 HG SER A 25 26.283 -2.103 3.001 1.00 0.00 H new ATOM 340 N ASP A 26 26.931 -4.932 7.365 1.00 0.00 N ATOM 341 CA ASP A 26 27.656 -4.703 8.637 1.00 0.00 C ATOM 342 C ASP A 26 28.840 -3.754 8.470 1.00 0.00 C ATOM 343 O ASP A 26 28.805 -2.636 8.950 1.00 0.00 O ATOM 344 CB ASP A 26 28.170 -6.061 9.123 1.00 0.00 C ATOM 345 CG ASP A 26 27.523 -6.397 10.467 1.00 0.00 C ATOM 346 OD1 ASP A 26 27.516 -5.508 11.303 1.00 0.00 O ATOM 347 OD2 ASP A 26 27.070 -7.524 10.582 1.00 0.00 O ATOM 0 H ASP A 26 26.533 -5.866 7.264 1.00 0.00 H new ATOM 0 HA ASP A 26 26.973 -4.242 9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.936 -6.834 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.255 -6.036 9.225 1.00 0.00 H new ATOM 352 N MET A 27 29.861 -4.211 7.787 1.00 0.00 N ATOM 353 CA MET A 27 31.057 -3.342 7.583 1.00 0.00 C ATOM 354 C MET A 27 31.177 -2.873 6.142 1.00 0.00 C ATOM 355 O MET A 27 30.629 -3.468 5.236 1.00 0.00 O ATOM 356 CB MET A 27 32.311 -4.153 7.922 1.00 0.00 C ATOM 357 CG MET A 27 31.942 -5.292 8.871 1.00 0.00 C ATOM 358 SD MET A 27 33.297 -6.114 9.746 1.00 0.00 S ATOM 359 CE MET A 27 32.284 -7.238 10.740 1.00 0.00 C ATOM 0 H MET A 27 29.917 -5.139 7.367 1.00 0.00 H new ATOM 0 HA MET A 27 30.952 -2.467 8.225 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.754 -4.554 7.011 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.059 -3.509 8.384 1.00 0.00 H new ATOM 0 HG2 MET A 27 31.248 -4.900 9.615 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.403 -6.047 8.299 1.00 0.00 H new ATOM 0 HE1 MET A 27 32.806 -7.475 11.667 1.00 0.00 H new ATOM 0 HE2 MET A 27 31.332 -6.761 10.972 1.00 0.00 H new ATOM 0 HE3 MET A 27 32.103 -8.156 10.181 1.00 0.00 H new ATOM 369 N ARG A 28 31.903 -1.804 5.966 1.00 0.00 N ATOM 370 CA ARG A 28 32.096 -1.251 4.603 1.00 0.00 C ATOM 371 C ARG A 28 33.495 -0.654 4.476 1.00 0.00 C ATOM 372 O ARG A 28 34.208 -0.546 5.455 1.00 0.00 O ATOM 373 CB ARG A 28 31.056 -0.141 4.356 1.00 0.00 C ATOM 374 CG ARG A 28 30.259 0.126 5.637 1.00 0.00 C ATOM 375 CD ARG A 28 29.267 1.260 5.374 1.00 0.00 C ATOM 376 NE ARG A 28 28.442 0.907 4.181 1.00 0.00 N ATOM 377 CZ ARG A 28 27.151 0.746 4.310 1.00 0.00 C ATOM 378 NH1 ARG A 28 26.680 0.239 5.418 1.00 0.00 N ATOM 379 NH2 ARG A 28 26.374 1.092 3.320 1.00 0.00 N ATOM 0 H ARG A 28 32.371 -1.290 6.712 1.00 0.00 H new ATOM 0 HA ARG A 28 31.975 -2.051 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 28 31.556 0.772 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.381 -0.436 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 28 29.729 -0.775 5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 28 30.932 0.395 6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 28 28.628 1.412 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 28 29.799 2.195 5.202 1.00 0.00 H new ATOM 0 HE ARG A 28 28.884 0.792 3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 28 27.317 -0.026 6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 28 25.675 0.108 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 28 26.777 1.479 2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 28 25.364 0.975 3.400 1.00 0.00 H new ATOM 393 N LEU A 29 33.861 -0.277 3.274 1.00 0.00 N ATOM 394 CA LEU A 29 35.217 0.317 3.060 1.00 0.00 C ATOM 395 C LEU A 29 35.094 1.668 2.390 1.00 0.00 C ATOM 396 O LEU A 29 35.903 2.061 1.572 1.00 0.00 O ATOM 397 CB LEU A 29 36.014 -0.658 2.157 1.00 0.00 C ATOM 398 CG LEU A 29 37.265 -1.185 2.889 1.00 0.00 C ATOM 399 CD1 LEU A 29 38.307 -0.063 3.009 1.00 0.00 C ATOM 400 CD2 LEU A 29 36.871 -1.695 4.287 1.00 0.00 C ATOM 0 H LEU A 29 33.283 -0.355 2.437 1.00 0.00 H new ATOM 0 HA LEU A 29 35.728 0.461 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 29 35.378 -1.494 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.311 -0.150 1.239 1.00 0.00 H new ATOM 0 HG LEU A 29 37.697 -2.008 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 29 39.189 -0.440 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 29 38.589 0.280 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 37.883 0.768 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.757 -2.067 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.433 -0.879 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.144 -2.501 4.189 1.00 0.00 H new ATOM 412 N ASN A 30 34.090 2.361 2.784 1.00 0.00 N ATOM 413 CA ASN A 30 33.856 3.712 2.202 1.00 0.00 C ATOM 414 C ASN A 30 32.948 4.568 3.092 1.00 0.00 C ATOM 415 O ASN A 30 33.406 5.184 4.031 1.00 0.00 O ATOM 416 CB ASN A 30 33.184 3.539 0.832 1.00 0.00 C ATOM 417 CG ASN A 30 34.210 3.017 -0.179 1.00 0.00 C ATOM 418 OD1 ASN A 30 34.223 1.742 -0.468 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 35.007 3.762 -0.714 1.00 0.00 N flip ATOM 0 H ASN A 30 33.411 2.063 3.485 1.00 0.00 H new ATOM 0 HA ASN A 30 34.817 4.220 2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.349 2.843 0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.775 4.491 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 30 35.002 4.758 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 30 35.681 3.392 -1.384 1.00 0.00 H new ATOM 426 N SER A 31 31.674 4.602 2.767 1.00 0.00 N ATOM 427 CA SER A 31 30.731 5.416 3.589 1.00 0.00 C ATOM 428 C SER A 31 29.309 4.861 3.531 1.00 0.00 C ATOM 429 O SER A 31 29.002 4.006 2.721 1.00 0.00 O ATOM 430 CB SER A 31 30.722 6.852 3.042 1.00 0.00 C ATOM 431 OG SER A 31 30.751 6.688 1.634 1.00 0.00 O ATOM 0 H SER A 31 31.256 4.107 1.979 1.00 0.00 H new ATOM 0 HA SER A 31 31.066 5.388 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.832 7.394 3.362 1.00 0.00 H new ATOM 0 HB3 SER A 31 31.584 7.418 3.395 1.00 0.00 H new ATOM 0 HG SER A 31 30.746 7.568 1.202 1.00 0.00 H new ATOM 437 N CYS A 32 28.467 5.362 4.401 1.00 0.00 N ATOM 438 CA CYS A 32 27.059 4.886 4.424 1.00 0.00 C ATOM 439 C CYS A 32 26.167 5.776 3.564 1.00 0.00 C ATOM 440 O CYS A 32 26.634 6.445 2.663 1.00 0.00 O ATOM 441 CB CYS A 32 26.553 4.951 5.873 1.00 0.00 C ATOM 442 SG CYS A 32 27.658 4.345 7.172 1.00 0.00 S ATOM 0 H CYS A 32 28.697 6.077 5.091 1.00 0.00 H new ATOM 0 HA CYS A 32 27.023 3.869 4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.308 5.989 6.097 1.00 0.00 H new ATOM 0 HB3 CYS A 32 25.624 4.384 5.930 1.00 0.00 H new ATOM 447 N HIS A 33 24.895 5.766 3.859 1.00 0.00 N ATOM 448 CA HIS A 33 23.958 6.604 3.071 1.00 0.00 C ATOM 449 C HIS A 33 22.781 7.065 3.944 1.00 0.00 C ATOM 450 O HIS A 33 22.988 7.624 5.003 1.00 0.00 O ATOM 451 CB HIS A 33 23.444 5.770 1.882 1.00 0.00 C ATOM 452 CG HIS A 33 22.947 4.418 2.391 1.00 0.00 C ATOM 453 ND1 HIS A 33 22.992 4.047 3.586 1.00 0.00 N ATOM 454 CD2 HIS A 33 22.392 3.359 1.698 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.530 2.874 3.723 1.00 0.00 C ATOM 456 NE2 HIS A 33 22.121 2.352 2.567 1.00 0.00 N ATOM 0 H HIS A 33 24.470 5.217 4.606 1.00 0.00 H new ATOM 0 HA HIS A 33 24.475 7.493 2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 33 22.638 6.299 1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.241 5.626 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 33 22.204 3.336 0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.474 2.357 4.669 1.00 0.00 H new ATOM 0 HE2 HIS A 33 21.712 1.436 2.383 1.00 0.00 H new ATOM 464 N SER A 34 21.571 6.816 3.494 1.00 0.00 N ATOM 465 CA SER A 34 20.388 7.243 4.296 1.00 0.00 C ATOM 466 C SER A 34 19.774 6.090 5.077 1.00 0.00 C ATOM 467 O SER A 34 19.020 6.301 6.006 1.00 0.00 O ATOM 468 CB SER A 34 19.333 7.797 3.330 1.00 0.00 C ATOM 469 OG SER A 34 19.879 7.550 2.041 1.00 0.00 O ATOM 0 H SER A 34 21.358 6.341 2.617 1.00 0.00 H new ATOM 0 HA SER A 34 20.716 7.994 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.373 7.297 3.459 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.163 8.861 3.493 1.00 0.00 H new ATOM 0 HG SER A 34 19.259 7.876 1.355 1.00 0.00 H new ATOM 475 N ALA A 35 20.100 4.898 4.694 1.00 0.00 N ATOM 476 CA ALA A 35 19.533 3.729 5.413 1.00 0.00 C ATOM 477 C ALA A 35 20.337 3.425 6.685 1.00 0.00 C ATOM 478 O ALA A 35 20.463 2.287 7.094 1.00 0.00 O ATOM 479 CB ALA A 35 19.575 2.517 4.466 1.00 0.00 C ATOM 0 H ALA A 35 20.729 4.679 3.921 1.00 0.00 H new ATOM 0 HA ALA A 35 18.507 3.947 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.163 1.645 4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.985 2.731 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.607 2.316 4.178 1.00 0.00 H new ATOM 485 N CYS A 36 20.852 4.461 7.294 1.00 0.00 N ATOM 486 CA CYS A 36 21.641 4.279 8.525 1.00 0.00 C ATOM 487 C CYS A 36 21.839 5.621 9.211 1.00 0.00 C ATOM 488 O CYS A 36 22.604 6.453 8.764 1.00 0.00 O ATOM 489 CB CYS A 36 23.007 3.692 8.156 1.00 0.00 C ATOM 490 SG CYS A 36 23.574 2.259 9.115 1.00 0.00 S ATOM 0 H CYS A 36 20.754 5.427 6.981 1.00 0.00 H new ATOM 0 HA CYS A 36 21.115 3.605 9.201 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.980 3.407 7.104 1.00 0.00 H new ATOM 0 HB3 CYS A 36 23.752 4.481 8.253 1.00 0.00 H new ATOM 495 N LYS A 37 21.139 5.802 10.282 1.00 0.00 N ATOM 496 CA LYS A 37 21.253 7.077 11.030 1.00 0.00 C ATOM 497 C LYS A 37 22.404 6.990 11.991 1.00 0.00 C ATOM 498 O LYS A 37 23.123 7.945 12.209 1.00 0.00 O ATOM 499 CB LYS A 37 19.954 7.301 11.822 1.00 0.00 C ATOM 500 CG LYS A 37 19.052 8.265 11.050 1.00 0.00 C ATOM 501 CD LYS A 37 19.495 9.702 11.333 1.00 0.00 C ATOM 502 CE LYS A 37 19.291 10.548 10.075 1.00 0.00 C ATOM 503 NZ LYS A 37 19.254 11.994 10.425 1.00 0.00 N ATOM 0 H LYS A 37 20.489 5.122 10.676 1.00 0.00 H new ATOM 0 HA LYS A 37 21.419 7.901 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.442 6.352 11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.181 7.707 12.808 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.108 8.058 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.012 8.127 11.347 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.920 10.116 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 37 20.543 9.720 11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.098 10.359 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.361 10.262 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.115 12.557 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.469 12.172 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.152 12.266 10.874 1.00 0.00 H new ATOM 517 N SER A 38 22.550 5.835 12.544 1.00 0.00 N ATOM 518 CA SER A 38 23.639 5.609 13.503 1.00 0.00 C ATOM 519 C SER A 38 24.766 4.861 12.818 1.00 0.00 C ATOM 520 O SER A 38 24.901 3.674 12.964 1.00 0.00 O ATOM 521 CB SER A 38 23.099 4.760 14.658 1.00 0.00 C ATOM 522 OG SER A 38 22.227 5.639 15.351 1.00 0.00 O ATOM 0 H SER A 38 21.952 5.027 12.369 1.00 0.00 H new ATOM 0 HA SER A 38 24.013 6.562 13.877 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.571 3.879 14.293 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.903 4.405 15.303 1.00 0.00 H new ATOM 0 HG SER A 38 21.830 5.171 16.115 1.00 0.00 H new ATOM 528 N CYS A 39 25.521 5.573 12.038 1.00 0.00 N ATOM 529 CA CYS A 39 26.657 4.938 11.318 1.00 0.00 C ATOM 530 C CYS A 39 27.994 5.484 11.768 1.00 0.00 C ATOM 531 O CYS A 39 28.155 6.668 11.981 1.00 0.00 O ATOM 532 CB CYS A 39 26.526 5.255 9.828 1.00 0.00 C ATOM 533 SG CYS A 39 26.413 3.863 8.688 1.00 0.00 S ATOM 0 H CYS A 39 25.402 6.571 11.866 1.00 0.00 H new ATOM 0 HA CYS A 39 26.620 3.869 11.525 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.639 5.874 9.692 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.384 5.860 9.536 1.00 0.00 H new ATOM 538 N ILE A 40 28.924 4.598 11.907 1.00 0.00 N ATOM 539 CA ILE A 40 30.278 5.011 12.333 1.00 0.00 C ATOM 540 C ILE A 40 31.071 5.126 11.071 1.00 0.00 C ATOM 541 O ILE A 40 30.839 4.355 10.161 1.00 0.00 O ATOM 542 CB ILE A 40 30.903 3.911 13.197 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.848 3.268 14.083 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.982 4.541 14.093 1.00 0.00 C ATOM 545 CD1 ILE A 40 30.523 2.218 14.966 1.00 0.00 C ATOM 0 H ILE A 40 28.806 3.598 11.743 1.00 0.00 H new ATOM 0 HA ILE A 40 30.255 5.938 12.906 1.00 0.00 H new ATOM 0 HB ILE A 40 31.335 3.150 12.547 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.361 4.023 14.699 1.00 0.00 H new ATOM 0 HG13 ILE A 40 29.072 2.806 13.472 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.436 3.769 14.714 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.748 5.002 13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.528 5.299 14.731 1.00 0.00 H new ATOM 0 HD11 ILE A 40 29.777 1.748 15.607 1.00 0.00 H new ATOM 0 HD12 ILE A 40 30.990 1.460 14.337 1.00 0.00 H new ATOM 0 HD13 ILE A 40 31.283 2.696 15.584 1.00 0.00 H new ATOM 557 N CYS A 41 31.982 6.040 10.963 1.00 0.00 N ATOM 558 CA CYS A 41 32.683 6.049 9.680 1.00 0.00 C ATOM 559 C CYS A 41 33.945 6.881 9.684 1.00 0.00 C ATOM 560 O CYS A 41 33.966 8.022 10.097 1.00 0.00 O ATOM 561 CB CYS A 41 31.711 6.608 8.671 1.00 0.00 C ATOM 562 SG CYS A 41 31.057 5.462 7.432 1.00 0.00 S ATOM 0 H CYS A 41 32.254 6.734 11.659 1.00 0.00 H new ATOM 0 HA CYS A 41 33.004 5.034 9.446 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.868 7.036 9.214 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.202 7.428 8.147 1.00 0.00 H new ATOM 567 N ALA A 42 34.973 6.256 9.206 1.00 0.00 N ATOM 568 CA ALA A 42 36.302 6.913 9.129 1.00 0.00 C ATOM 569 C ALA A 42 36.621 7.313 7.695 1.00 0.00 C ATOM 570 O ALA A 42 36.719 6.463 6.824 1.00 0.00 O ATOM 571 CB ALA A 42 37.364 5.914 9.612 1.00 0.00 C ATOM 0 H ALA A 42 34.951 5.298 8.857 1.00 0.00 H new ATOM 0 HA ALA A 42 36.296 7.809 9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.349 6.378 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.150 5.624 10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.348 5.029 8.975 1.00 0.00 H new ATOM 577 N LEU A 43 36.790 8.586 7.469 1.00 0.00 N ATOM 578 CA LEU A 43 37.104 9.040 6.090 1.00 0.00 C ATOM 579 C LEU A 43 38.594 8.896 5.791 1.00 0.00 C ATOM 580 O LEU A 43 39.160 9.678 5.054 1.00 0.00 O ATOM 581 CB LEU A 43 36.710 10.518 5.965 1.00 0.00 C ATOM 582 CG LEU A 43 35.184 10.627 5.995 1.00 0.00 C ATOM 583 CD1 LEU A 43 34.782 11.934 6.684 1.00 0.00 C ATOM 584 CD2 LEU A 43 34.650 10.628 4.561 1.00 0.00 C ATOM 0 H LEU A 43 36.725 9.322 8.172 1.00 0.00 H new ATOM 0 HA LEU A 43 36.550 8.426 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 43 37.145 11.095 6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 37.100 10.935 5.036 1.00 0.00 H new ATOM 0 HG LEU A 43 34.767 9.781 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.695 12.014 6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 43 35.168 11.941 7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 43 35.197 12.778 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.563 10.706 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 43 35.066 11.477 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 34.940 9.702 4.064 1.00 0.00 H new ATOM 596 N SER A 44 39.201 7.895 6.370 1.00 0.00 N ATOM 597 CA SER A 44 40.652 7.682 6.133 1.00 0.00 C ATOM 598 C SER A 44 40.882 6.920 4.829 1.00 0.00 C ATOM 599 O SER A 44 39.986 6.785 4.020 1.00 0.00 O ATOM 600 CB SER A 44 41.213 6.854 7.298 1.00 0.00 C ATOM 601 OG SER A 44 40.667 7.469 8.456 1.00 0.00 O ATOM 0 H SER A 44 38.756 7.221 6.993 1.00 0.00 H new ATOM 0 HA SER A 44 41.150 8.649 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 44 40.914 5.808 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.303 6.874 7.313 1.00 0.00 H new ATOM 0 HG SER A 44 40.978 6.995 9.255 1.00 0.00 H new ATOM 607 N TYR A 45 42.082 6.436 4.652 1.00 0.00 N ATOM 608 CA TYR A 45 42.396 5.680 3.409 1.00 0.00 C ATOM 609 C TYR A 45 43.518 4.635 3.669 1.00 0.00 C ATOM 610 O TYR A 45 44.637 5.021 3.939 1.00 0.00 O ATOM 611 CB TYR A 45 42.917 6.685 2.373 1.00 0.00 C ATOM 612 CG TYR A 45 42.251 6.404 1.027 1.00 0.00 C ATOM 613 CD1 TYR A 45 42.802 5.492 0.152 1.00 0.00 C ATOM 614 CD2 TYR A 45 41.084 7.050 0.675 1.00 0.00 C ATOM 615 CE1 TYR A 45 42.194 5.228 -1.058 1.00 0.00 C ATOM 616 CE2 TYR A 45 40.476 6.786 -0.534 1.00 0.00 C ATOM 617 CZ TYR A 45 41.026 5.873 -1.410 1.00 0.00 C ATOM 618 OH TYR A 45 40.418 5.608 -2.621 1.00 0.00 O ATOM 0 H TYR A 45 42.854 6.532 5.312 1.00 0.00 H new ATOM 0 HA TYR A 45 41.501 5.163 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 45 42.700 7.704 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 45 44.000 6.603 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 45 43.716 4.981 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 45 40.643 7.768 1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 42.635 4.511 -1.735 1.00 0.00 H new ATOM 0 HE2 TYR A 45 39.562 7.298 -0.797 1.00 0.00 H new ATOM 0 HH TYR A 45 39.605 6.150 -2.705 1.00 0.00 H new ATOM 628 N PRO A 46 43.228 3.317 3.587 1.00 0.00 N ATOM 629 CA PRO A 46 41.899 2.747 3.261 1.00 0.00 C ATOM 630 C PRO A 46 40.850 3.106 4.306 1.00 0.00 C ATOM 631 O PRO A 46 41.001 2.810 5.474 1.00 0.00 O ATOM 632 CB PRO A 46 42.110 1.218 3.276 1.00 0.00 C ATOM 633 CG PRO A 46 43.600 0.953 3.621 1.00 0.00 C ATOM 634 CD PRO A 46 44.278 2.316 3.820 1.00 0.00 C ATOM 0 HA PRO A 46 41.540 3.133 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 46 41.457 0.749 4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 46 41.859 0.787 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 46 43.683 0.348 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.086 0.397 2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.689 2.406 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.106 2.447 3.124 1.00 0.00 H new ATOM 642 N ALA A 47 39.805 3.734 3.857 1.00 0.00 N ATOM 643 CA ALA A 47 38.733 4.125 4.791 1.00 0.00 C ATOM 644 C ALA A 47 38.188 2.922 5.531 1.00 0.00 C ATOM 645 O ALA A 47 38.524 1.792 5.239 1.00 0.00 O ATOM 646 CB ALA A 47 37.597 4.757 3.974 1.00 0.00 C ATOM 0 H ALA A 47 39.651 3.991 2.882 1.00 0.00 H new ATOM 0 HA ALA A 47 39.136 4.826 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.790 5.055 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.973 5.633 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 47 37.221 4.032 3.253 1.00 0.00 H new ATOM 652 N GLN A 48 37.358 3.201 6.478 1.00 0.00 N ATOM 653 CA GLN A 48 36.745 2.124 7.284 1.00 0.00 C ATOM 654 C GLN A 48 35.380 2.601 7.636 1.00 0.00 C ATOM 655 O GLN A 48 35.202 3.788 7.832 1.00 0.00 O ATOM 656 CB GLN A 48 37.565 1.923 8.572 1.00 0.00 C ATOM 657 CG GLN A 48 38.817 1.100 8.257 1.00 0.00 C ATOM 658 CD GLN A 48 38.407 -0.323 7.877 1.00 0.00 C ATOM 659 OE1 GLN A 48 37.540 -0.916 8.488 1.00 0.00 O ATOM 660 NE2 GLN A 48 39.002 -0.905 6.873 1.00 0.00 N ATOM 0 H GLN A 48 37.071 4.146 6.735 1.00 0.00 H new ATOM 0 HA GLN A 48 36.714 1.179 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.848 2.889 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.962 1.414 9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 48 39.372 1.561 7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.480 1.081 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 48 39.730 -0.412 6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 48 38.739 -1.853 6.604 1.00 0.00 H new ATOM 669 N CYS A 49 34.414 1.741 7.717 1.00 0.00 N ATOM 670 CA CYS A 49 33.117 2.310 8.061 1.00 0.00 C ATOM 671 C CYS A 49 32.168 1.241 8.590 1.00 0.00 C ATOM 672 O CYS A 49 32.326 0.073 8.296 1.00 0.00 O ATOM 673 CB CYS A 49 32.604 2.915 6.750 1.00 0.00 C ATOM 674 SG CYS A 49 32.694 4.718 6.580 1.00 0.00 S ATOM 0 H CYS A 49 34.465 0.733 7.569 1.00 0.00 H new ATOM 0 HA CYS A 49 33.189 3.053 8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 49 33.166 2.470 5.929 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.564 2.615 6.623 1.00 0.00 H new ATOM 679 N PHE A 50 31.194 1.662 9.370 1.00 0.00 N ATOM 680 CA PHE A 50 30.232 0.674 9.928 1.00 0.00 C ATOM 681 C PHE A 50 28.800 1.206 9.974 1.00 0.00 C ATOM 682 O PHE A 50 28.548 2.381 9.793 1.00 0.00 O ATOM 683 CB PHE A 50 30.671 0.365 11.365 1.00 0.00 C ATOM 684 CG PHE A 50 30.770 -1.147 11.559 1.00 0.00 C ATOM 685 CD1 PHE A 50 31.941 -1.821 11.256 1.00 0.00 C ATOM 686 CD2 PHE A 50 29.695 -1.860 12.061 1.00 0.00 C ATOM 687 CE1 PHE A 50 32.032 -3.183 11.455 1.00 0.00 C ATOM 688 CE2 PHE A 50 29.790 -3.221 12.259 1.00 0.00 C ATOM 689 CZ PHE A 50 30.957 -3.881 11.957 1.00 0.00 C ATOM 0 H PHE A 50 31.032 2.633 9.636 1.00 0.00 H new ATOM 0 HA PHE A 50 30.236 -0.206 9.285 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.635 0.831 11.569 1.00 0.00 H new ATOM 0 HB3 PHE A 50 29.957 0.786 12.072 1.00 0.00 H new ATOM 0 HD1 PHE A 50 32.787 -1.278 10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 50 28.775 -1.346 12.299 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.948 -3.703 11.217 1.00 0.00 H new ATOM 0 HE2 PHE A 50 28.946 -3.769 12.652 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.031 -4.947 12.113 1.00 0.00 H new ATOM 699 N CYS A 51 27.897 0.298 10.224 1.00 0.00 N ATOM 700 CA CYS A 51 26.448 0.647 10.307 1.00 0.00 C ATOM 701 C CYS A 51 25.829 -0.112 11.481 1.00 0.00 C ATOM 702 O CYS A 51 25.586 -1.299 11.376 1.00 0.00 O ATOM 703 CB CYS A 51 25.767 0.160 8.998 1.00 0.00 C ATOM 704 SG CYS A 51 24.950 1.377 7.930 1.00 0.00 S ATOM 0 H CYS A 51 28.105 -0.689 10.377 1.00 0.00 H new ATOM 0 HA CYS A 51 26.317 1.721 10.441 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.525 -0.346 8.401 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.024 -0.589 9.272 1.00 0.00 H new ATOM 709 N VAL A 52 25.587 0.559 12.589 1.00 0.00 N ATOM 710 CA VAL A 52 24.985 -0.186 13.733 1.00 0.00 C ATOM 711 C VAL A 52 23.471 -0.171 13.639 1.00 0.00 C ATOM 712 O VAL A 52 22.799 -0.889 14.352 1.00 0.00 O ATOM 713 CB VAL A 52 25.440 0.427 15.075 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.875 -0.018 15.368 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.402 1.937 14.997 1.00 0.00 C ATOM 0 H VAL A 52 25.773 1.550 12.743 1.00 0.00 H new ATOM 0 HA VAL A 52 25.327 -1.220 13.687 1.00 0.00 H new ATOM 0 HB VAL A 52 24.770 0.090 15.866 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.203 0.411 16.315 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.913 -1.106 15.430 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.532 0.323 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.725 2.359 15.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.069 2.277 14.205 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.385 2.265 14.781 1.00 0.00 H new ATOM 725 N ASP A 53 22.952 0.648 12.760 1.00 0.00 N ATOM 726 CA ASP A 53 21.482 0.701 12.621 1.00 0.00 C ATOM 727 C ASP A 53 20.982 -0.681 12.241 1.00 0.00 C ATOM 728 O ASP A 53 21.650 -1.391 11.515 1.00 0.00 O ATOM 729 CB ASP A 53 21.133 1.687 11.503 1.00 0.00 C ATOM 730 CG ASP A 53 19.714 2.219 11.718 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.930 1.462 12.266 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.495 3.352 11.321 1.00 0.00 O ATOM 0 H ASP A 53 23.479 1.269 12.146 1.00 0.00 H new ATOM 0 HA ASP A 53 21.021 1.020 13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.845 2.512 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.205 1.195 10.533 1.00 0.00 H new ATOM 737 N ILE A 54 19.829 -1.042 12.734 1.00 0.00 N ATOM 738 CA ILE A 54 19.283 -2.379 12.408 1.00 0.00 C ATOM 739 C ILE A 54 17.901 -2.314 11.780 1.00 0.00 C ATOM 740 O ILE A 54 17.218 -1.311 11.843 1.00 0.00 O ATOM 741 CB ILE A 54 19.171 -3.174 13.703 1.00 0.00 C ATOM 742 CG1 ILE A 54 19.091 -2.234 14.913 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.425 -4.056 13.829 1.00 0.00 C ATOM 744 CD1 ILE A 54 18.385 -2.952 16.074 1.00 0.00 C ATOM 0 H ILE A 54 19.248 -0.468 13.345 1.00 0.00 H new ATOM 0 HA ILE A 54 19.956 -2.844 11.688 1.00 0.00 H new ATOM 0 HB ILE A 54 18.266 -3.781 13.681 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.092 -1.928 15.216 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.547 -1.328 14.647 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.370 -4.637 14.750 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.481 -4.732 12.976 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.313 -3.425 13.851 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.328 -2.284 16.934 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.378 -3.236 15.768 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.947 -3.846 16.345 1.00 0.00 H new ATOM 756 N THR A 55 17.529 -3.410 11.185 1.00 0.00 N ATOM 757 CA THR A 55 16.210 -3.504 10.529 1.00 0.00 C ATOM 758 C THR A 55 15.599 -4.866 10.850 1.00 0.00 C ATOM 759 O THR A 55 16.202 -5.648 11.559 1.00 0.00 O ATOM 760 CB THR A 55 16.412 -3.371 9.011 1.00 0.00 C ATOM 761 OG1 THR A 55 15.289 -3.990 8.418 1.00 0.00 O ATOM 762 CG2 THR A 55 17.607 -4.212 8.544 1.00 0.00 C ATOM 0 H THR A 55 18.097 -4.255 11.128 1.00 0.00 H new ATOM 0 HA THR A 55 15.546 -2.715 10.883 1.00 0.00 H new ATOM 0 HB THR A 55 16.556 -2.322 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.100 -3.566 7.555 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.730 -4.102 7.467 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.511 -3.872 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.430 -5.260 8.784 1.00 0.00 H new ATOM 770 N ASP A 56 14.429 -5.133 10.329 1.00 0.00 N ATOM 771 CA ASP A 56 13.784 -6.448 10.610 1.00 0.00 C ATOM 772 C ASP A 56 13.786 -7.361 9.384 1.00 0.00 C ATOM 773 O ASP A 56 12.888 -8.160 9.215 1.00 0.00 O ATOM 774 CB ASP A 56 12.328 -6.188 11.021 1.00 0.00 C ATOM 775 CG ASP A 56 12.296 -5.135 12.132 1.00 0.00 C ATOM 776 OD1 ASP A 56 13.241 -5.134 12.903 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.328 -4.392 12.148 1.00 0.00 O ATOM 0 H ASP A 56 13.898 -4.504 9.727 1.00 0.00 H new ATOM 0 HA ASP A 56 14.347 -6.944 11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.751 -5.845 10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.865 -7.112 11.367 1.00 0.00 H new ATOM 782 N PHE A 57 14.784 -7.237 8.545 1.00 0.00 N ATOM 783 CA PHE A 57 14.807 -8.118 7.341 1.00 0.00 C ATOM 784 C PHE A 57 16.180 -8.179 6.661 1.00 0.00 C ATOM 785 O PHE A 57 16.411 -9.034 5.827 1.00 0.00 O ATOM 786 CB PHE A 57 13.774 -7.599 6.327 1.00 0.00 C ATOM 787 CG PHE A 57 13.681 -6.075 6.408 1.00 0.00 C ATOM 788 CD1 PHE A 57 14.502 -5.282 5.629 1.00 0.00 C ATOM 789 CD2 PHE A 57 12.759 -5.470 7.247 1.00 0.00 C ATOM 790 CE1 PHE A 57 14.402 -3.908 5.686 1.00 0.00 C ATOM 791 CE2 PHE A 57 12.662 -4.095 7.301 1.00 0.00 C ATOM 792 CZ PHE A 57 13.484 -3.315 6.521 1.00 0.00 C ATOM 0 H PHE A 57 15.562 -6.584 8.637 1.00 0.00 H new ATOM 0 HA PHE A 57 14.570 -9.127 7.677 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.058 -7.901 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.799 -8.042 6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.226 -5.741 4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.113 -6.078 7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.047 -3.295 5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.940 -3.630 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.409 -2.239 6.564 1.00 0.00 H new ATOM 802 N CYS A 58 17.066 -7.290 7.012 1.00 0.00 N ATOM 803 CA CYS A 58 18.408 -7.318 6.375 1.00 0.00 C ATOM 804 C CYS A 58 18.280 -7.222 4.865 1.00 0.00 C ATOM 805 O CYS A 58 17.906 -8.173 4.205 1.00 0.00 O ATOM 806 CB CYS A 58 19.107 -8.648 6.721 1.00 0.00 C ATOM 807 SG CYS A 58 20.696 -8.568 7.585 1.00 0.00 S ATOM 0 H CYS A 58 16.921 -6.555 7.704 1.00 0.00 H new ATOM 0 HA CYS A 58 18.987 -6.472 6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 58 18.423 -9.237 7.332 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.258 -9.198 5.792 1.00 0.00 H new ATOM 812 N TYR A 59 18.573 -6.069 4.347 1.00 0.00 N ATOM 813 CA TYR A 59 18.475 -5.889 2.879 1.00 0.00 C ATOM 814 C TYR A 59 19.095 -7.089 2.155 1.00 0.00 C ATOM 815 O TYR A 59 19.984 -7.736 2.672 1.00 0.00 O ATOM 816 CB TYR A 59 19.222 -4.602 2.480 1.00 0.00 C ATOM 817 CG TYR A 59 19.112 -3.555 3.600 1.00 0.00 C ATOM 818 CD1 TYR A 59 17.970 -3.453 4.379 1.00 0.00 C ATOM 819 CD2 TYR A 59 20.152 -2.676 3.829 1.00 0.00 C ATOM 820 CE1 TYR A 59 17.880 -2.488 5.363 1.00 0.00 C ATOM 821 CE2 TYR A 59 20.057 -1.714 4.811 1.00 0.00 C ATOM 822 CZ TYR A 59 18.922 -1.613 5.585 1.00 0.00 C ATOM 823 OH TYR A 59 18.826 -0.645 6.565 1.00 0.00 O ATOM 0 H TYR A 59 18.874 -5.248 4.872 1.00 0.00 H new ATOM 0 HA TYR A 59 17.426 -5.813 2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 59 20.270 -4.827 2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.804 -4.202 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 59 17.146 -4.132 4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.050 -2.743 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.985 -2.418 5.964 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.879 -1.033 4.975 1.00 0.00 H new ATOM 0 HH TYR A 59 19.651 -0.117 6.585 1.00 0.00 H new ATOM 833 N GLU A 60 18.613 -7.361 0.972 1.00 0.00 N ATOM 834 CA GLU A 60 19.156 -8.516 0.198 1.00 0.00 C ATOM 835 C GLU A 60 20.543 -8.199 -0.416 1.00 0.00 C ATOM 836 O GLU A 60 20.898 -7.044 -0.586 1.00 0.00 O ATOM 837 CB GLU A 60 18.157 -8.806 -0.939 1.00 0.00 C ATOM 838 CG GLU A 60 17.198 -9.918 -0.497 1.00 0.00 C ATOM 839 CD GLU A 60 15.976 -9.930 -1.420 1.00 0.00 C ATOM 840 OE1 GLU A 60 16.195 -9.792 -2.612 1.00 0.00 O ATOM 841 OE2 GLU A 60 14.892 -10.076 -0.879 1.00 0.00 O ATOM 0 H GLU A 60 17.870 -6.837 0.509 1.00 0.00 H new ATOM 0 HA GLU A 60 19.282 -9.370 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.597 -7.904 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.691 -9.107 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.703 -10.884 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.887 -9.757 0.535 1.00 0.00 H new ATOM 848 N PRO A 61 21.316 -9.247 -0.741 1.00 0.00 N ATOM 849 CA PRO A 61 22.647 -9.065 -1.331 1.00 0.00 C ATOM 850 C PRO A 61 22.583 -8.148 -2.541 1.00 0.00 C ATOM 851 O PRO A 61 21.544 -7.996 -3.150 1.00 0.00 O ATOM 852 CB PRO A 61 23.087 -10.479 -1.764 1.00 0.00 C ATOM 853 CG PRO A 61 22.011 -11.479 -1.253 1.00 0.00 C ATOM 854 CD PRO A 61 20.915 -10.658 -0.554 1.00 0.00 C ATOM 0 HA PRO A 61 23.341 -8.608 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.180 -10.537 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.065 -10.721 -1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.593 -12.050 -2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.452 -12.197 -0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.936 -10.852 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.846 -10.912 0.504 1.00 0.00 H new ATOM 862 N CYS A 62 23.694 -7.553 -2.872 1.00 0.00 N ATOM 863 CA CYS A 62 23.695 -6.646 -4.041 1.00 0.00 C ATOM 864 C CYS A 62 23.487 -7.405 -5.332 1.00 0.00 C ATOM 865 O CYS A 62 23.995 -8.490 -5.519 1.00 0.00 O ATOM 866 CB CYS A 62 25.029 -5.909 -4.114 1.00 0.00 C ATOM 867 SG CYS A 62 24.983 -4.096 -4.030 1.00 0.00 S ATOM 0 H CYS A 62 24.587 -7.656 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 62 22.873 -5.941 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 62 25.658 -6.269 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.520 -6.191 -5.045 1.00 0.00 H new ATOM 872 N LYS A 63 22.735 -6.789 -6.191 1.00 0.00 N ATOM 873 CA LYS A 63 22.413 -7.381 -7.527 1.00 0.00 C ATOM 874 C LYS A 63 21.172 -6.666 -8.107 1.00 0.00 C ATOM 875 O LYS A 63 20.075 -7.190 -8.076 1.00 0.00 O ATOM 876 CB LYS A 63 22.095 -8.905 -7.371 1.00 0.00 C ATOM 877 CG LYS A 63 23.281 -9.737 -7.902 1.00 0.00 C ATOM 878 CD LYS A 63 23.285 -11.107 -7.223 1.00 0.00 C ATOM 879 CE LYS A 63 24.432 -11.944 -7.800 1.00 0.00 C ATOM 880 NZ LYS A 63 23.928 -13.262 -8.277 1.00 0.00 N ATOM 0 H LYS A 63 22.315 -5.874 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 63 23.267 -7.256 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.910 -9.143 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.187 -9.156 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.202 -9.855 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.220 -9.219 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 63 23.406 -10.993 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.332 -11.611 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.902 -11.408 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.198 -12.095 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.718 -13.816 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.500 -13.778 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.213 -13.113 -9.018 1.00 0.00 H new ATOM 894 N PRO A 64 21.366 -5.451 -8.614 1.00 0.00 N ATOM 895 CA PRO A 64 20.260 -4.684 -9.185 1.00 0.00 C ATOM 896 C PRO A 64 19.565 -5.438 -10.311 1.00 0.00 C ATOM 897 O PRO A 64 20.101 -5.593 -11.390 1.00 0.00 O ATOM 898 CB PRO A 64 20.905 -3.393 -9.726 1.00 0.00 C ATOM 899 CG PRO A 64 22.388 -3.390 -9.260 1.00 0.00 C ATOM 900 CD PRO A 64 22.679 -4.773 -8.657 1.00 0.00 C ATOM 0 HA PRO A 64 19.492 -4.489 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 64 20.843 -3.359 -10.814 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.382 -2.514 -9.349 1.00 0.00 H new ATOM 0 HG2 PRO A 64 23.054 -3.188 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 64 22.558 -2.606 -8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 64 23.391 -5.329 -9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.112 -4.687 -7.661 1.00 0.00 H new ATOM 908 N SER A 65 18.379 -5.891 -10.026 1.00 0.00 N ATOM 909 CA SER A 65 17.607 -6.640 -11.043 1.00 0.00 C ATOM 910 C SER A 65 16.127 -6.333 -10.899 1.00 0.00 C ATOM 911 O SER A 65 15.677 -5.256 -11.237 1.00 0.00 O ATOM 912 CB SER A 65 17.827 -8.144 -10.813 1.00 0.00 C ATOM 913 OG SER A 65 16.951 -8.769 -11.741 1.00 0.00 O ATOM 0 H SER A 65 17.912 -5.772 -9.127 1.00 0.00 H new ATOM 0 HA SER A 65 17.939 -6.351 -12.040 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.864 -8.427 -10.992 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.591 -8.429 -9.788 1.00 0.00 H new ATOM 0 HG SER A 65 17.030 -9.743 -11.661 1.00 0.00 H new ATOM 919 N GLU A 66 15.397 -7.281 -10.396 1.00 0.00 N ATOM 920 CA GLU A 66 13.942 -7.062 -10.220 1.00 0.00 C ATOM 921 C GLU A 66 13.690 -5.958 -9.195 1.00 0.00 C ATOM 922 O GLU A 66 14.270 -5.955 -8.127 1.00 0.00 O ATOM 923 CB GLU A 66 13.316 -8.368 -9.715 1.00 0.00 C ATOM 924 CG GLU A 66 11.808 -8.175 -9.556 1.00 0.00 C ATOM 925 CD GLU A 66 11.141 -9.543 -9.396 1.00 0.00 C ATOM 926 OE1 GLU A 66 11.877 -10.473 -9.109 1.00 0.00 O ATOM 927 OE2 GLU A 66 9.935 -9.582 -9.572 1.00 0.00 O ATOM 0 H GLU A 66 15.743 -8.194 -10.100 1.00 0.00 H new ATOM 0 HA GLU A 66 13.501 -6.764 -11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.519 -9.177 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.761 -8.653 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.599 -7.551 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.402 -7.658 -10.425 1.00 0.00 H new ATOM 934 N ASP A 67 12.827 -5.039 -9.541 1.00 0.00 N ATOM 935 CA ASP A 67 12.524 -3.927 -8.601 1.00 0.00 C ATOM 936 C ASP A 67 11.278 -4.226 -7.773 1.00 0.00 C ATOM 937 O ASP A 67 10.986 -3.535 -6.818 1.00 0.00 O ATOM 938 CB ASP A 67 12.272 -2.656 -9.425 1.00 0.00 C ATOM 939 CG ASP A 67 12.458 -2.971 -10.911 1.00 0.00 C ATOM 940 OD1 ASP A 67 13.549 -3.408 -11.240 1.00 0.00 O ATOM 941 OD2 ASP A 67 11.499 -2.756 -11.634 1.00 0.00 O ATOM 0 H ASP A 67 12.324 -5.012 -10.428 1.00 0.00 H new ATOM 0 HA ASP A 67 13.367 -3.801 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.263 -2.285 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.961 -1.868 -9.120 1.00 0.00 H new ATOM 946 N ASP A 68 10.561 -5.248 -8.155 1.00 0.00 N ATOM 947 CA ASP A 68 9.333 -5.596 -7.394 1.00 0.00 C ATOM 948 C ASP A 68 9.660 -5.888 -5.933 1.00 0.00 C ATOM 949 O ASP A 68 10.807 -6.062 -5.574 1.00 0.00 O ATOM 950 CB ASP A 68 8.710 -6.853 -8.020 1.00 0.00 C ATOM 951 CG ASP A 68 7.189 -6.795 -7.860 1.00 0.00 C ATOM 952 OD1 ASP A 68 6.759 -6.921 -6.725 1.00 0.00 O ATOM 953 OD2 ASP A 68 6.543 -6.626 -8.881 1.00 0.00 O ATOM 0 H ASP A 68 10.771 -5.849 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 68 8.643 -4.753 -7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.974 -6.917 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.104 -7.747 -7.538 1.00 0.00 H new ATOM 958 N LYS A 69 8.642 -5.935 -5.117 1.00 0.00 N ATOM 959 CA LYS A 69 8.870 -6.215 -3.677 1.00 0.00 C ATOM 960 C LYS A 69 7.620 -6.817 -3.044 1.00 0.00 C ATOM 961 O LYS A 69 6.557 -6.228 -3.083 1.00 0.00 O ATOM 962 CB LYS A 69 9.195 -4.892 -2.966 1.00 0.00 C ATOM 963 CG LYS A 69 10.450 -5.079 -2.111 1.00 0.00 C ATOM 964 CD LYS A 69 10.753 -3.775 -1.369 1.00 0.00 C ATOM 965 CE LYS A 69 11.649 -4.080 -0.166 1.00 0.00 C ATOM 966 NZ LYS A 69 10.828 -4.540 0.989 1.00 0.00 N ATOM 0 H LYS A 69 7.669 -5.792 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 69 9.693 -6.923 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.353 -4.100 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.356 -4.585 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.302 -5.891 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.295 -5.358 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.247 -3.069 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.826 -3.306 -1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.377 -4.847 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.212 -3.189 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.450 -4.743 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.150 -3.796 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.310 -5.402 0.725 1.00 0.00 H new ATOM 980 N GLU A 70 7.772 -7.984 -2.474 1.00 0.00 N ATOM 981 CA GLU A 70 6.605 -8.643 -1.832 1.00 0.00 C ATOM 982 C GLU A 70 7.023 -9.375 -0.561 1.00 0.00 C ATOM 983 O GLU A 70 6.195 -9.706 0.265 1.00 0.00 O ATOM 984 CB GLU A 70 6.024 -9.663 -2.823 1.00 0.00 C ATOM 985 CG GLU A 70 5.282 -8.915 -3.933 1.00 0.00 C ATOM 986 CD GLU A 70 4.584 -9.925 -4.844 1.00 0.00 C ATOM 987 OE1 GLU A 70 4.400 -11.037 -4.378 1.00 0.00 O ATOM 988 OE2 GLU A 70 4.275 -9.529 -5.955 1.00 0.00 O ATOM 0 H GLU A 70 8.649 -8.503 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 70 5.868 -7.885 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.822 -10.271 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.345 -10.343 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.551 -8.232 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.981 -8.310 -4.510 1.00 0.00 H new ATOM 995 N ASN A 71 8.307 -9.611 -0.430 1.00 0.00 N ATOM 996 CA ASN A 71 8.812 -10.319 0.780 1.00 0.00 C ATOM 997 C ASN A 71 9.595 -9.367 1.675 1.00 0.00 C ATOM 998 O ASN A 71 9.400 -9.467 2.875 1.00 0.00 O ATOM 999 CB ASN A 71 9.750 -11.446 0.321 1.00 0.00 C ATOM 1000 CG ASN A 71 8.921 -12.574 -0.292 1.00 0.00 C ATOM 1001 OD1 ASN A 71 7.776 -12.391 -0.656 1.00 0.00 O ATOM 1002 ND2 ASN A 71 9.460 -13.755 -0.427 1.00 0.00 N ATOM 1003 OXT ASN A 71 10.345 -8.587 1.110 1.00 0.00 O ATOM 0 H ASN A 71 9.021 -9.344 -1.108 1.00 0.00 H new ATOM 0 HA ASN A 71 7.966 -10.714 1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.464 -11.066 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.327 -11.821 1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.921 -14.518 -0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.421 -13.915 -0.123 1.00 0.00 H new TER 1010 ASN A 71