USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 438 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 12 THR OG1 : rot 80:sc= 1.42 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.0931 K(o=1.5,f=-0.27) USER MOD Set 2.1: A 15 SER OG : rot -109:sc= -0.76 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 35 ASN : amide:sc= -3.28! K(o=-4!,f=-1.2) USER MOD Single : A 1 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.37) USER MOD Single : A 1 ASN N :NH3+ 161:sc= 0.85 (180deg=0.68) USER MOD Single : A 8 GLN : amide:sc= 0.486 X(o=0.49,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0734 USER MOD Single : A 11 GLN : amide:sc= -0.689 X(o=-0.69,f=-0.24) USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= -3.96 (180deg=-7.27!) USER MOD Single : A 20 THR OG1 : rot 137:sc= 0.163 USER MOD Single : A 23 THR OG1 : rot 117:sc= 0.446 USER MOD Single : A 25 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.078) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.117 (180deg=-0.809) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -17:sc= -0.0942 USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 0.933 (180deg=0.627) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0773 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 100:sc= -0.341 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD Single : A 58 SER OG : rot 180:sc= -0.445 USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= -0.379 (180deg=-0.496) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 39.526 24.458 -12.712 1.00 0.00 N ATOM 2 CA ASN A 1 38.907 24.040 -11.424 1.00 0.00 C ATOM 3 C ASN A 1 38.665 22.524 -11.431 1.00 0.00 C ATOM 4 O ASN A 1 38.514 21.919 -12.475 1.00 0.00 O ATOM 5 CB ASN A 1 37.563 24.770 -11.220 1.00 0.00 C ATOM 6 CG ASN A 1 36.944 24.351 -9.877 1.00 0.00 C ATOM 7 OD1 ASN A 1 35.875 23.777 -9.821 1.00 0.00 O ATOM 8 ND2 ASN A 1 37.589 24.617 -8.773 1.00 0.00 N ATOM 0 H1 ASN A 1 39.397 25.482 -12.843 1.00 0.00 H new ATOM 0 H2 ASN A 1 40.542 24.237 -12.697 1.00 0.00 H new ATOM 0 H3 ASN A 1 39.072 23.948 -13.497 1.00 0.00 H new ATOM 0 HA ASN A 1 39.584 24.298 -10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 1 37.718 25.849 -11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 1 36.881 24.531 -12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 1 37.194 24.343 -7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 1 38.487 25.099 -8.811 1.00 0.00 H new ATOM 17 N PHE A 2 38.640 21.961 -10.248 1.00 0.00 N ATOM 18 CA PHE A 2 38.415 20.501 -10.079 1.00 0.00 C ATOM 19 C PHE A 2 37.741 20.369 -8.698 1.00 0.00 C ATOM 20 O PHE A 2 36.970 21.223 -8.302 1.00 0.00 O ATOM 21 CB PHE A 2 39.815 19.824 -10.179 1.00 0.00 C ATOM 22 CG PHE A 2 39.729 18.284 -10.212 1.00 0.00 C ATOM 23 CD1 PHE A 2 39.094 17.637 -11.258 1.00 0.00 C ATOM 24 CD2 PHE A 2 40.289 17.527 -9.202 1.00 0.00 C ATOM 25 CE1 PHE A 2 39.026 16.260 -11.289 1.00 0.00 C ATOM 26 CE2 PHE A 2 40.223 16.151 -9.230 1.00 0.00 C ATOM 27 CZ PHE A 2 39.589 15.515 -10.275 1.00 0.00 C ATOM 0 H PHE A 2 38.770 22.470 -9.374 1.00 0.00 H new ATOM 0 HA PHE A 2 37.779 20.022 -10.823 1.00 0.00 H new ATOM 0 HB2 PHE A 2 40.321 20.175 -11.078 1.00 0.00 H new ATOM 0 HB3 PHE A 2 40.425 20.132 -9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 2 38.649 18.214 -12.055 1.00 0.00 H new ATOM 0 HD2 PHE A 2 40.785 18.020 -8.379 1.00 0.00 H new ATOM 0 HE1 PHE A 2 38.530 15.764 -12.110 1.00 0.00 H new ATOM 0 HE2 PHE A 2 40.668 15.572 -8.434 1.00 0.00 H new ATOM 0 HZ PHE A 2 39.533 14.437 -10.300 1.00 0.00 H new ATOM 37 N VAL A 3 38.050 19.305 -8.016 1.00 0.00 N ATOM 38 CA VAL A 3 37.485 19.025 -6.661 1.00 0.00 C ATOM 39 C VAL A 3 38.526 18.291 -5.802 1.00 0.00 C ATOM 40 O VAL A 3 39.307 17.501 -6.295 1.00 0.00 O ATOM 41 CB VAL A 3 36.189 18.174 -6.848 1.00 0.00 C ATOM 42 CG1 VAL A 3 36.499 16.835 -7.561 1.00 0.00 C ATOM 43 CG2 VAL A 3 35.525 17.894 -5.480 1.00 0.00 C ATOM 0 H VAL A 3 38.695 18.589 -8.352 1.00 0.00 H new ATOM 0 HA VAL A 3 37.235 19.951 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 3 35.502 18.747 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 3 35.578 16.263 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 3 36.928 17.036 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 3 37.209 16.261 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.623 17.300 -5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 3 36.220 17.346 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.263 18.838 -5.003 1.00 0.00 H new ATOM 53 N CYS A 4 38.482 18.595 -4.531 1.00 0.00 N ATOM 54 CA CYS A 4 39.412 17.991 -3.527 1.00 0.00 C ATOM 55 C CYS A 4 38.663 17.615 -2.228 1.00 0.00 C ATOM 56 O CYS A 4 37.472 17.833 -2.120 1.00 0.00 O ATOM 57 CB CYS A 4 40.491 18.996 -3.182 1.00 0.00 C ATOM 58 SG CYS A 4 41.730 19.578 -4.361 1.00 0.00 S ATOM 0 H CYS A 4 37.818 19.259 -4.134 1.00 0.00 H new ATOM 0 HA CYS A 4 39.843 17.089 -3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.976 19.884 -2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 4 41.042 18.577 -2.340 1.00 0.00 H new ATOM 63 N PRO A 5 39.388 17.058 -1.278 1.00 0.00 N ATOM 64 CA PRO A 5 39.031 17.112 0.148 1.00 0.00 C ATOM 65 C PRO A 5 39.638 18.346 0.850 1.00 0.00 C ATOM 66 O PRO A 5 40.320 19.127 0.211 1.00 0.00 O ATOM 67 CB PRO A 5 39.672 15.819 0.718 1.00 0.00 C ATOM 68 CG PRO A 5 40.434 15.192 -0.413 1.00 0.00 C ATOM 69 CD PRO A 5 40.636 16.291 -1.415 1.00 0.00 C ATOM 0 HA PRO A 5 37.954 17.185 0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.334 16.049 1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 5 38.907 15.140 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.388 14.793 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.879 14.361 -0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.514 16.895 -1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.769 15.904 -2.425 1.00 0.00 H new ATOM 77 N PRO A 6 39.381 18.485 2.132 1.00 0.00 N ATOM 78 CA PRO A 6 40.041 19.503 2.976 1.00 0.00 C ATOM 79 C PRO A 6 41.565 19.486 2.800 1.00 0.00 C ATOM 80 O PRO A 6 42.122 18.452 2.489 1.00 0.00 O ATOM 81 CB PRO A 6 39.656 19.080 4.415 1.00 0.00 C ATOM 82 CG PRO A 6 39.098 17.700 4.272 1.00 0.00 C ATOM 83 CD PRO A 6 38.436 17.691 2.943 1.00 0.00 C ATOM 0 HA PRO A 6 39.730 20.517 2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.523 19.089 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.921 19.761 4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 6 39.885 16.948 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.388 17.476 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.312 16.680 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.445 18.143 2.976 1.00 0.00 H new ATOM 91 N GLY A 7 42.174 20.627 2.998 1.00 0.00 N ATOM 92 CA GLY A 7 43.658 20.734 2.856 1.00 0.00 C ATOM 93 C GLY A 7 44.120 20.784 1.390 1.00 0.00 C ATOM 94 O GLY A 7 45.266 21.104 1.136 1.00 0.00 O ATOM 0 H GLY A 7 41.704 21.495 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.003 21.631 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.127 19.883 3.350 1.00 0.00 H new ATOM 98 N GLN A 8 43.236 20.471 0.471 1.00 0.00 N ATOM 99 CA GLN A 8 43.596 20.490 -0.980 1.00 0.00 C ATOM 100 C GLN A 8 42.547 21.268 -1.784 1.00 0.00 C ATOM 101 O GLN A 8 41.397 21.349 -1.399 1.00 0.00 O ATOM 102 CB GLN A 8 43.673 19.042 -1.485 1.00 0.00 C ATOM 103 CG GLN A 8 44.732 18.237 -0.725 1.00 0.00 C ATOM 104 CD GLN A 8 44.719 16.785 -1.215 1.00 0.00 C ATOM 105 OE1 GLN A 8 45.412 16.420 -2.144 1.00 0.00 O ATOM 106 NE2 GLN A 8 43.941 15.929 -0.610 1.00 0.00 N ATOM 0 H GLN A 8 42.272 20.201 0.668 1.00 0.00 H new ATOM 0 HA GLN A 8 44.559 20.984 -1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.700 18.564 -1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.907 19.039 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.718 18.675 -0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.532 18.272 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.358 16.232 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.916 14.957 -0.917 1.00 0.00 H new ATOM 115 N THR A 9 42.999 21.817 -2.883 1.00 0.00 N ATOM 116 CA THR A 9 42.120 22.612 -3.802 1.00 0.00 C ATOM 117 C THR A 9 42.613 22.402 -5.245 1.00 0.00 C ATOM 118 O THR A 9 43.514 21.621 -5.482 1.00 0.00 O ATOM 119 CB THR A 9 42.207 24.101 -3.373 1.00 0.00 C ATOM 120 OG1 THR A 9 41.365 24.838 -4.249 1.00 0.00 O ATOM 121 CG2 THR A 9 43.613 24.691 -3.600 1.00 0.00 C ATOM 0 H THR A 9 43.968 21.746 -3.192 1.00 0.00 H new ATOM 0 HA THR A 9 41.078 22.295 -3.750 1.00 0.00 H new ATOM 0 HB THR A 9 41.940 24.160 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.392 25.787 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.625 25.734 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.342 24.128 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.867 24.628 -4.658 1.00 0.00 H new ATOM 129 N PHE A 10 42.005 23.107 -6.166 1.00 0.00 N ATOM 130 CA PHE A 10 42.396 22.995 -7.606 1.00 0.00 C ATOM 131 C PHE A 10 43.892 23.293 -7.752 1.00 0.00 C ATOM 132 O PHE A 10 44.478 23.954 -6.915 1.00 0.00 O ATOM 133 CB PHE A 10 41.570 24.002 -8.434 1.00 0.00 C ATOM 134 CG PHE A 10 42.028 23.963 -9.907 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.906 22.810 -10.661 1.00 0.00 C ATOM 136 CD2 PHE A 10 42.576 25.090 -10.493 1.00 0.00 C ATOM 137 CE1 PHE A 10 42.324 22.784 -11.975 1.00 0.00 C ATOM 138 CE2 PHE A 10 42.993 25.065 -11.806 1.00 0.00 C ATOM 139 CZ PHE A 10 42.868 23.912 -12.547 1.00 0.00 C ATOM 0 H PHE A 10 41.246 23.763 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 10 42.199 21.986 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.509 23.760 -8.366 1.00 0.00 H new ATOM 0 HB3 PHE A 10 41.694 25.007 -8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 10 41.480 21.923 -10.217 1.00 0.00 H new ATOM 0 HD2 PHE A 10 42.678 25.997 -9.916 1.00 0.00 H new ATOM 0 HE1 PHE A 10 42.225 21.879 -12.555 1.00 0.00 H new ATOM 0 HE2 PHE A 10 43.418 25.951 -12.254 1.00 0.00 H new ATOM 0 HZ PHE A 10 43.196 23.892 -13.576 1.00 0.00 H new ATOM 149 N GLN A 11 44.469 22.800 -8.814 1.00 0.00 N ATOM 150 CA GLN A 11 45.921 23.036 -9.031 1.00 0.00 C ATOM 151 C GLN A 11 46.071 22.803 -10.543 1.00 0.00 C ATOM 152 O GLN A 11 45.553 21.831 -11.062 1.00 0.00 O ATOM 153 CB GLN A 11 46.690 21.991 -8.172 1.00 0.00 C ATOM 154 CG GLN A 11 48.173 22.376 -7.915 1.00 0.00 C ATOM 155 CD GLN A 11 48.181 23.598 -6.985 1.00 0.00 C ATOM 156 OE1 GLN A 11 48.567 24.687 -7.362 1.00 0.00 O ATOM 157 NE2 GLN A 11 47.756 23.449 -5.754 1.00 0.00 N ATOM 0 H GLN A 11 44.001 22.249 -9.534 1.00 0.00 H new ATOM 0 HA GLN A 11 46.305 24.016 -8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.182 21.873 -7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.655 21.023 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.711 21.545 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.677 22.606 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 11 47.431 22.537 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 11 47.750 24.245 -5.117 1.00 0.00 H new ATOM 166 N THR A 12 46.770 23.684 -11.212 1.00 0.00 N ATOM 167 CA THR A 12 46.953 23.521 -12.688 1.00 0.00 C ATOM 168 C THR A 12 48.029 22.457 -12.919 1.00 0.00 C ATOM 169 O THR A 12 47.787 21.510 -13.643 1.00 0.00 O ATOM 170 CB THR A 12 47.332 24.923 -13.261 1.00 0.00 C ATOM 171 OG1 THR A 12 47.633 24.731 -14.636 1.00 0.00 O ATOM 172 CG2 THR A 12 48.614 25.493 -12.701 1.00 0.00 C ATOM 0 H THR A 12 47.220 24.504 -10.805 1.00 0.00 H new ATOM 0 HA THR A 12 46.053 23.180 -13.200 1.00 0.00 H new ATOM 0 HB THR A 12 46.501 25.589 -13.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.800 24.684 -15.150 1.00 0.00 H new ATOM 0 HG21 THR A 12 48.806 26.468 -13.150 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.522 25.603 -11.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 49.441 24.820 -12.928 1.00 0.00 H new ATOM 180 N CYS A 13 49.174 22.625 -12.309 1.00 0.00 N ATOM 181 CA CYS A 13 50.255 21.620 -12.484 1.00 0.00 C ATOM 182 C CYS A 13 50.272 20.715 -11.272 1.00 0.00 C ATOM 183 O CYS A 13 50.939 20.969 -10.289 1.00 0.00 O ATOM 184 CB CYS A 13 51.613 22.331 -12.662 1.00 0.00 C ATOM 185 SG CYS A 13 51.831 23.083 -14.290 1.00 0.00 S ATOM 0 H CYS A 13 49.403 23.412 -11.701 1.00 0.00 H new ATOM 0 HA CYS A 13 50.073 21.022 -13.377 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.712 23.103 -11.899 1.00 0.00 H new ATOM 0 HB3 CYS A 13 52.415 21.612 -12.493 1.00 0.00 H new ATOM 190 N ALA A 14 49.502 19.665 -11.397 1.00 0.00 N ATOM 191 CA ALA A 14 49.398 18.672 -10.296 1.00 0.00 C ATOM 192 C ALA A 14 48.862 17.363 -10.852 1.00 0.00 C ATOM 193 O ALA A 14 47.673 17.215 -11.040 1.00 0.00 O ATOM 194 CB ALA A 14 48.465 19.265 -9.251 1.00 0.00 C ATOM 0 H ALA A 14 48.939 19.455 -12.221 1.00 0.00 H new ATOM 0 HA ALA A 14 50.366 18.460 -9.843 1.00 0.00 H new ATOM 0 HB1 ALA A 14 48.359 18.567 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 14 48.879 20.205 -8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 14 47.488 19.449 -9.698 1.00 0.00 H new ATOM 200 N SER A 15 49.768 16.454 -11.086 1.00 0.00 N ATOM 201 CA SER A 15 49.400 15.122 -11.643 1.00 0.00 C ATOM 202 C SER A 15 49.206 14.019 -10.599 1.00 0.00 C ATOM 203 O SER A 15 49.251 14.256 -9.407 1.00 0.00 O ATOM 204 CB SER A 15 50.512 14.782 -12.642 1.00 0.00 C ATOM 205 OG SER A 15 50.210 13.555 -13.289 1.00 0.00 O ATOM 0 H SER A 15 50.765 16.581 -10.912 1.00 0.00 H new ATOM 0 HA SER A 15 48.418 15.178 -12.112 1.00 0.00 H new ATOM 0 HB2 SER A 15 50.609 15.579 -13.379 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.469 14.707 -12.125 1.00 0.00 H new ATOM 0 HG SER A 15 50.827 12.860 -12.978 1.00 0.00 H new ATOM 211 N SER A 16 48.989 12.833 -11.117 1.00 0.00 N ATOM 212 CA SER A 16 48.778 11.608 -10.294 1.00 0.00 C ATOM 213 C SER A 16 49.976 11.279 -9.370 1.00 0.00 C ATOM 214 O SER A 16 49.958 10.286 -8.669 1.00 0.00 O ATOM 215 CB SER A 16 48.507 10.435 -11.255 1.00 0.00 C ATOM 216 OG SER A 16 49.670 10.364 -12.071 1.00 0.00 O ATOM 0 H SER A 16 48.949 12.663 -12.122 1.00 0.00 H new ATOM 0 HA SER A 16 47.931 11.782 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 16 48.348 9.505 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 16 47.613 10.611 -11.853 1.00 0.00 H new ATOM 0 HG SER A 16 49.574 9.632 -12.715 1.00 0.00 H new ATOM 222 N CYS A 17 50.972 12.127 -9.420 1.00 0.00 N ATOM 223 CA CYS A 17 52.225 11.999 -8.605 1.00 0.00 C ATOM 224 C CYS A 17 52.269 12.978 -7.400 1.00 0.00 C ATOM 225 O CYS A 17 52.948 13.982 -7.465 1.00 0.00 O ATOM 226 CB CYS A 17 53.378 12.230 -9.595 1.00 0.00 C ATOM 227 SG CYS A 17 53.056 13.490 -10.855 1.00 0.00 S ATOM 0 H CYS A 17 50.967 12.948 -10.026 1.00 0.00 H new ATOM 0 HA CYS A 17 52.289 11.016 -8.138 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.268 12.516 -9.034 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.605 11.287 -10.093 1.00 0.00 H new ATOM 232 N PRO A 18 51.554 12.668 -6.336 1.00 0.00 N ATOM 233 CA PRO A 18 51.331 13.611 -5.216 1.00 0.00 C ATOM 234 C PRO A 18 52.567 14.013 -4.389 1.00 0.00 C ATOM 235 O PRO A 18 53.600 13.376 -4.444 1.00 0.00 O ATOM 236 CB PRO A 18 50.310 12.884 -4.326 1.00 0.00 C ATOM 237 CG PRO A 18 50.567 11.452 -4.595 1.00 0.00 C ATOM 238 CD PRO A 18 50.863 11.388 -6.062 1.00 0.00 C ATOM 0 HA PRO A 18 51.005 14.569 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.453 13.126 -3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.287 13.162 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 18 51.406 11.083 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.703 10.839 -4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.493 10.533 -6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 18 49.951 11.291 -6.651 1.00 0.00 H new ATOM 246 N LYS A 19 52.362 15.083 -3.658 1.00 0.00 N ATOM 247 CA LYS A 19 53.388 15.691 -2.755 1.00 0.00 C ATOM 248 C LYS A 19 52.889 15.337 -1.368 1.00 0.00 C ATOM 249 O LYS A 19 51.702 15.381 -1.108 1.00 0.00 O ATOM 250 CB LYS A 19 53.419 17.231 -2.938 1.00 0.00 C ATOM 251 CG LYS A 19 52.076 17.899 -2.503 1.00 0.00 C ATOM 252 CD LYS A 19 51.984 19.420 -2.822 1.00 0.00 C ATOM 253 CE LYS A 19 53.022 20.290 -2.096 1.00 0.00 C ATOM 254 NZ LYS A 19 54.402 19.963 -2.530 1.00 0.00 N ATOM 0 H LYS A 19 51.474 15.585 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 19 54.399 15.333 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.238 17.649 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.620 17.468 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 19 51.251 17.385 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 19 51.943 17.756 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.100 19.560 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 19 50.987 19.773 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 19 52.817 21.343 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.933 20.143 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 54.964 20.836 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.838 19.317 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 54.373 19.506 -3.464 1.00 0.00 H new ATOM 268 N THR A 20 53.811 14.994 -0.518 1.00 0.00 N ATOM 269 CA THR A 20 53.422 14.627 0.863 1.00 0.00 C ATOM 270 C THR A 20 54.526 15.014 1.840 1.00 0.00 C ATOM 271 O THR A 20 55.552 15.545 1.460 1.00 0.00 O ATOM 272 CB THR A 20 53.195 13.109 0.942 1.00 0.00 C ATOM 273 OG1 THR A 20 54.471 12.541 0.669 1.00 0.00 O ATOM 274 CG2 THR A 20 52.337 12.531 -0.208 1.00 0.00 C ATOM 0 H THR A 20 54.810 14.953 -0.719 1.00 0.00 H new ATOM 0 HA THR A 20 52.506 15.157 1.125 1.00 0.00 H new ATOM 0 HB THR A 20 52.719 12.900 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.643 11.807 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.227 11.455 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.353 13.000 -0.199 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.825 12.730 -1.162 1.00 0.00 H new ATOM 282 N CYS A 21 54.250 14.720 3.084 1.00 0.00 N ATOM 283 CA CYS A 21 55.213 15.013 4.179 1.00 0.00 C ATOM 284 C CYS A 21 56.516 14.246 3.937 1.00 0.00 C ATOM 285 O CYS A 21 57.544 14.555 4.508 1.00 0.00 O ATOM 286 CB CYS A 21 54.506 14.621 5.479 1.00 0.00 C ATOM 287 SG CYS A 21 53.191 15.788 5.912 1.00 0.00 S ATOM 0 H CYS A 21 53.381 14.281 3.389 1.00 0.00 H new ATOM 0 HA CYS A 21 55.498 16.064 4.229 1.00 0.00 H new ATOM 0 HB2 CYS A 21 54.084 13.621 5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 21 55.234 14.578 6.289 1.00 0.00 H new ATOM 292 N GLU A 22 56.406 13.261 3.082 1.00 0.00 N ATOM 293 CA GLU A 22 57.578 12.418 2.715 1.00 0.00 C ATOM 294 C GLU A 22 58.436 13.216 1.719 1.00 0.00 C ATOM 295 O GLU A 22 59.638 13.280 1.897 1.00 0.00 O ATOM 296 CB GLU A 22 57.105 11.091 2.065 1.00 0.00 C ATOM 297 CG GLU A 22 56.339 10.195 3.079 1.00 0.00 C ATOM 298 CD GLU A 22 55.070 10.878 3.617 1.00 0.00 C ATOM 299 OE1 GLU A 22 54.111 10.886 2.868 1.00 0.00 O ATOM 300 OE2 GLU A 22 55.124 11.353 4.739 1.00 0.00 O ATOM 0 H GLU A 22 55.536 13.003 2.616 1.00 0.00 H new ATOM 0 HA GLU A 22 58.157 12.169 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 22 56.460 11.312 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 22 57.967 10.548 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 22 56.067 9.255 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 22 56.997 9.948 3.912 1.00 0.00 H new ATOM 307 N THR A 23 57.830 13.806 0.706 1.00 0.00 N ATOM 308 CA THR A 23 58.649 14.592 -0.271 1.00 0.00 C ATOM 309 C THR A 23 58.995 15.987 0.260 1.00 0.00 C ATOM 310 O THR A 23 60.089 16.154 0.761 1.00 0.00 O ATOM 311 CB THR A 23 57.889 14.737 -1.627 1.00 0.00 C ATOM 312 OG1 THR A 23 56.599 15.248 -1.327 1.00 0.00 O ATOM 313 CG2 THR A 23 57.645 13.404 -2.329 1.00 0.00 C ATOM 0 H THR A 23 56.828 13.777 0.520 1.00 0.00 H new ATOM 0 HA THR A 23 59.578 14.042 -0.421 1.00 0.00 H new ATOM 0 HB THR A 23 58.496 15.370 -2.274 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.491 16.129 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 23 57.113 13.577 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.600 12.923 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.047 12.758 -1.686 1.00 0.00 H new ATOM 321 N ARG A 24 58.083 16.933 0.151 1.00 0.00 N ATOM 322 CA ARG A 24 58.301 18.350 0.624 1.00 0.00 C ATOM 323 C ARG A 24 59.374 19.097 -0.188 1.00 0.00 C ATOM 324 O ARG A 24 59.470 20.308 -0.150 1.00 0.00 O ATOM 325 CB ARG A 24 58.736 18.362 2.096 1.00 0.00 C ATOM 326 CG ARG A 24 57.628 17.752 2.948 1.00 0.00 C ATOM 327 CD ARG A 24 58.057 17.717 4.413 1.00 0.00 C ATOM 328 NE ARG A 24 59.258 16.830 4.527 1.00 0.00 N ATOM 329 CZ ARG A 24 60.354 17.181 5.156 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.467 18.347 5.735 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.332 16.319 5.185 1.00 0.00 N ATOM 0 H ARG A 24 57.163 16.776 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 24 57.346 18.859 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.660 17.797 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 24 58.941 19.383 2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 24 56.713 18.335 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.405 16.743 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.292 18.722 4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.246 17.342 5.038 1.00 0.00 H new ATOM 0 HE ARG A 24 59.222 15.907 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.692 19.009 5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 24 61.331 18.595 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.227 15.413 4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.202 16.551 5.663 1.00 0.00 H new ATOM 345 N ASN A 25 60.142 18.321 -0.898 1.00 0.00 N ATOM 346 CA ASN A 25 61.249 18.808 -1.757 1.00 0.00 C ATOM 347 C ASN A 25 60.784 19.686 -2.925 1.00 0.00 C ATOM 348 O ASN A 25 61.565 20.449 -3.462 1.00 0.00 O ATOM 349 CB ASN A 25 61.993 17.568 -2.279 1.00 0.00 C ATOM 350 CG ASN A 25 62.538 16.699 -1.129 1.00 0.00 C ATOM 351 OD1 ASN A 25 62.941 15.572 -1.337 1.00 0.00 O ATOM 352 ND2 ASN A 25 62.576 17.165 0.090 1.00 0.00 N ATOM 0 H ASN A 25 60.036 17.307 -0.915 1.00 0.00 H new ATOM 0 HA ASN A 25 61.896 19.451 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.319 16.973 -2.896 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.817 17.882 -2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.939 16.585 0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.242 18.109 0.286 1.00 0.00 H new ATOM 359 N LYS A 26 59.531 19.553 -3.278 1.00 0.00 N ATOM 360 CA LYS A 26 58.957 20.350 -4.401 1.00 0.00 C ATOM 361 C LYS A 26 57.632 20.927 -3.888 1.00 0.00 C ATOM 362 O LYS A 26 56.849 20.219 -3.290 1.00 0.00 O ATOM 363 CB LYS A 26 58.736 19.419 -5.639 1.00 0.00 C ATOM 364 CG LYS A 26 57.583 18.391 -5.534 1.00 0.00 C ATOM 365 CD LYS A 26 57.725 17.363 -4.402 1.00 0.00 C ATOM 366 CE LYS A 26 56.501 16.429 -4.468 1.00 0.00 C ATOM 367 NZ LYS A 26 56.425 15.727 -5.783 1.00 0.00 N ATOM 0 H LYS A 26 58.873 18.916 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 26 59.620 21.155 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 26 58.554 20.048 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 26 59.662 18.875 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 26 56.647 18.932 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 26 57.507 17.857 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 26 58.648 16.794 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 26 57.774 17.863 -3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 26 56.557 15.695 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 26 55.591 17.007 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 55.839 14.873 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 56.001 16.360 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 57.382 15.458 -6.089 1.00 0.00 H new ATOM 381 N LEU A 27 57.433 22.197 -4.137 1.00 0.00 N ATOM 382 CA LEU A 27 56.185 22.903 -3.694 1.00 0.00 C ATOM 383 C LEU A 27 55.048 22.841 -4.717 1.00 0.00 C ATOM 384 O LEU A 27 54.419 23.824 -5.066 1.00 0.00 O ATOM 385 CB LEU A 27 56.519 24.376 -3.400 1.00 0.00 C ATOM 386 CG LEU A 27 57.419 24.543 -2.149 1.00 0.00 C ATOM 387 CD1 LEU A 27 58.832 23.921 -2.284 1.00 0.00 C ATOM 388 CD2 LEU A 27 57.544 26.041 -1.804 1.00 0.00 C ATOM 0 H LEU A 27 58.095 22.789 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 27 55.831 22.387 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 27 57.020 24.811 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.593 24.933 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 27 56.927 23.991 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 59.391 24.085 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.742 22.850 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 27 59.358 24.389 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 27 58.177 26.160 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 27 57.989 26.572 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.555 26.451 -1.598 1.00 0.00 H new ATOM 400 N VAL A 28 54.831 21.639 -5.159 1.00 0.00 N ATOM 401 CA VAL A 28 53.762 21.348 -6.167 1.00 0.00 C ATOM 402 C VAL A 28 53.409 19.893 -5.933 1.00 0.00 C ATOM 403 O VAL A 28 54.203 19.149 -5.389 1.00 0.00 O ATOM 404 CB VAL A 28 54.281 21.478 -7.600 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.119 21.516 -8.586 1.00 0.00 C ATOM 406 CG2 VAL A 28 55.236 22.680 -7.795 1.00 0.00 C ATOM 0 H VAL A 28 55.360 20.820 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 28 52.928 22.041 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 28 54.881 20.591 -7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.506 21.609 -9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.540 20.597 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 28 52.480 22.370 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 28 55.568 22.716 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 28 54.713 23.604 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 28 56.101 22.568 -7.141 1.00 0.00 H new ATOM 416 N LEU A 29 52.231 19.531 -6.359 1.00 0.00 N ATOM 417 CA LEU A 29 51.782 18.128 -6.180 1.00 0.00 C ATOM 418 C LEU A 29 52.831 17.180 -6.770 1.00 0.00 C ATOM 419 O LEU A 29 53.191 16.186 -6.175 1.00 0.00 O ATOM 420 CB LEU A 29 50.411 18.009 -6.870 1.00 0.00 C ATOM 421 CG LEU A 29 49.778 16.598 -6.642 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.451 16.423 -5.140 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.471 16.398 -7.413 1.00 0.00 C ATOM 0 H LEU A 29 51.563 20.147 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 29 51.676 17.854 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.740 18.777 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.523 18.191 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 29 50.508 15.870 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.009 15.440 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.367 16.511 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 29 48.746 17.194 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.080 15.400 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.742 17.143 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.658 16.508 -8.481 1.00 0.00 H new ATOM 435 N CYS A 30 53.277 17.564 -7.929 1.00 0.00 N ATOM 436 CA CYS A 30 54.313 16.801 -8.695 1.00 0.00 C ATOM 437 C CYS A 30 55.492 17.758 -8.959 1.00 0.00 C ATOM 438 O CYS A 30 55.930 18.415 -8.035 1.00 0.00 O ATOM 439 CB CYS A 30 53.698 16.309 -10.010 1.00 0.00 C ATOM 440 SG CYS A 30 52.316 15.148 -9.966 1.00 0.00 S ATOM 0 H CYS A 30 52.956 18.410 -8.400 1.00 0.00 H new ATOM 0 HA CYS A 30 54.665 15.932 -8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 30 53.369 17.187 -10.565 1.00 0.00 H new ATOM 0 HB3 CYS A 30 54.496 15.845 -10.590 1.00 0.00 H new ATOM 445 N ASP A 31 55.978 17.831 -10.178 1.00 0.00 N ATOM 446 CA ASP A 31 57.124 18.740 -10.495 1.00 0.00 C ATOM 447 C ASP A 31 57.270 18.991 -12.000 1.00 0.00 C ATOM 448 O ASP A 31 57.645 20.072 -12.412 1.00 0.00 O ATOM 449 CB ASP A 31 58.422 18.108 -9.953 1.00 0.00 C ATOM 450 CG ASP A 31 58.639 16.728 -10.611 1.00 0.00 C ATOM 451 OD1 ASP A 31 58.035 15.789 -10.117 1.00 0.00 O ATOM 452 OD2 ASP A 31 59.393 16.693 -11.570 1.00 0.00 O ATOM 0 H ASP A 31 55.626 17.295 -10.971 1.00 0.00 H new ATOM 0 HA ASP A 31 56.931 19.703 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 31 59.271 18.759 -10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 31 58.362 18.001 -8.870 1.00 0.00 H new ATOM 457 N LYS A 32 56.966 17.973 -12.762 1.00 0.00 N ATOM 458 CA LYS A 32 57.064 18.054 -14.255 1.00 0.00 C ATOM 459 C LYS A 32 55.719 17.936 -14.987 1.00 0.00 C ATOM 460 O LYS A 32 55.500 18.640 -15.955 1.00 0.00 O ATOM 461 CB LYS A 32 58.033 16.937 -14.723 1.00 0.00 C ATOM 462 CG LYS A 32 57.532 15.531 -14.282 1.00 0.00 C ATOM 463 CD LYS A 32 58.503 14.418 -14.749 1.00 0.00 C ATOM 464 CE LYS A 32 59.897 14.578 -14.109 1.00 0.00 C ATOM 465 NZ LYS A 32 60.793 13.484 -14.579 1.00 0.00 N ATOM 0 H LYS A 32 56.648 17.071 -12.408 1.00 0.00 H new ATOM 0 HA LYS A 32 57.433 19.047 -14.510 1.00 0.00 H new ATOM 0 HB2 LYS A 32 58.129 16.967 -15.808 1.00 0.00 H new ATOM 0 HB3 LYS A 32 59.026 17.117 -14.310 1.00 0.00 H new ATOM 0 HG2 LYS A 32 57.435 15.501 -13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 32 56.540 15.349 -14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 32 58.092 13.443 -14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 32 58.595 14.446 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 32 60.320 15.547 -14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 32 59.814 14.552 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 61.732 13.594 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 60.391 12.565 -14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 60.882 13.529 -15.614 1.00 0.00 H new ATOM 479 N LYS A 33 54.856 17.066 -14.522 1.00 0.00 N ATOM 480 CA LYS A 33 53.524 16.902 -15.196 1.00 0.00 C ATOM 481 C LYS A 33 52.558 17.961 -14.680 1.00 0.00 C ATOM 482 O LYS A 33 52.696 18.437 -13.568 1.00 0.00 O ATOM 483 CB LYS A 33 52.950 15.502 -14.899 1.00 0.00 C ATOM 484 CG LYS A 33 51.610 15.257 -15.655 1.00 0.00 C ATOM 485 CD LYS A 33 51.815 15.296 -17.189 1.00 0.00 C ATOM 486 CE LYS A 33 50.473 15.038 -17.890 1.00 0.00 C ATOM 487 NZ LYS A 33 50.665 15.066 -19.367 1.00 0.00 N ATOM 0 H LYS A 33 55.011 16.466 -13.712 1.00 0.00 H new ATOM 0 HA LYS A 33 53.655 17.016 -16.272 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.676 14.742 -15.189 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.788 15.395 -13.826 1.00 0.00 H new ATOM 0 HG2 LYS A 33 51.198 14.290 -15.365 1.00 0.00 H new ATOM 0 HG3 LYS A 33 50.882 16.014 -15.364 1.00 0.00 H new ATOM 0 HD2 LYS A 33 52.214 16.265 -17.489 1.00 0.00 H new ATOM 0 HD3 LYS A 33 52.545 14.544 -17.489 1.00 0.00 H new ATOM 0 HE2 LYS A 33 50.072 14.072 -17.584 1.00 0.00 H new ATOM 0 HE3 LYS A 33 49.746 15.794 -17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 49.755 14.891 -19.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 51.029 15.997 -19.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 51.345 14.329 -19.643 1.00 0.00 H new ATOM 501 N CYS A 34 51.607 18.287 -15.519 1.00 0.00 N ATOM 502 CA CYS A 34 50.597 19.309 -15.141 1.00 0.00 C ATOM 503 C CYS A 34 49.142 18.966 -15.474 1.00 0.00 C ATOM 504 O CYS A 34 48.561 19.448 -16.429 1.00 0.00 O ATOM 505 CB CYS A 34 50.957 20.624 -15.817 1.00 0.00 C ATOM 506 SG CYS A 34 52.480 21.487 -15.350 1.00 0.00 S ATOM 0 H CYS A 34 51.490 17.886 -16.450 1.00 0.00 H new ATOM 0 HA CYS A 34 50.637 19.366 -14.053 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.005 20.436 -16.890 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.129 21.313 -15.651 1.00 0.00 H new ATOM 511 N ASN A 35 48.607 18.120 -14.642 1.00 0.00 N ATOM 512 CA ASN A 35 47.181 17.686 -14.813 1.00 0.00 C ATOM 513 C ASN A 35 46.379 18.789 -14.088 1.00 0.00 C ATOM 514 O ASN A 35 46.672 19.096 -12.947 1.00 0.00 O ATOM 515 CB ASN A 35 46.862 16.337 -14.106 1.00 0.00 C ATOM 516 CG ASN A 35 47.696 15.126 -14.559 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.397 15.142 -15.550 1.00 0.00 O ATOM 518 ND2 ASN A 35 47.618 14.050 -13.813 1.00 0.00 N ATOM 0 H ASN A 35 49.092 17.705 -13.846 1.00 0.00 H new ATOM 0 HA ASN A 35 46.951 17.547 -15.869 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.003 16.469 -13.033 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.808 16.107 -14.263 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.149 13.216 -14.063 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.026 14.047 -12.982 1.00 0.00 H new ATOM 525 N GLN A 36 45.405 19.354 -14.756 1.00 0.00 N ATOM 526 CA GLN A 36 44.569 20.438 -14.136 1.00 0.00 C ATOM 527 C GLN A 36 43.536 19.704 -13.258 1.00 0.00 C ATOM 528 O GLN A 36 42.412 19.467 -13.658 1.00 0.00 O ATOM 529 CB GLN A 36 43.845 21.238 -15.248 1.00 0.00 C ATOM 530 CG GLN A 36 44.759 21.668 -16.413 1.00 0.00 C ATOM 531 CD GLN A 36 45.808 22.664 -15.950 1.00 0.00 C ATOM 532 OE1 GLN A 36 45.474 23.740 -15.496 1.00 0.00 O ATOM 533 NE2 GLN A 36 47.070 22.346 -16.050 1.00 0.00 N ATOM 0 H GLN A 36 45.148 19.111 -15.713 1.00 0.00 H new ATOM 0 HA GLN A 36 45.169 21.141 -13.557 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.030 20.632 -15.644 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.395 22.127 -14.806 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.248 20.791 -16.837 1.00 0.00 H new ATOM 0 HG3 GLN A 36 44.157 22.112 -17.206 1.00 0.00 H new ATOM 0 HE21 GLN A 36 47.339 21.440 -16.433 1.00 0.00 H new ATOM 0 HE22 GLN A 36 47.787 23.004 -15.745 1.00 0.00 H new ATOM 542 N ARG A 37 43.967 19.363 -12.073 1.00 0.00 N ATOM 543 CA ARG A 37 43.086 18.642 -11.104 1.00 0.00 C ATOM 544 C ARG A 37 43.396 19.110 -9.682 1.00 0.00 C ATOM 545 O ARG A 37 43.834 20.227 -9.494 1.00 0.00 O ATOM 546 CB ARG A 37 43.329 17.115 -11.286 1.00 0.00 C ATOM 547 CG ARG A 37 44.821 16.781 -11.094 1.00 0.00 C ATOM 548 CD ARG A 37 45.057 15.269 -11.273 1.00 0.00 C ATOM 549 NE ARG A 37 44.302 14.536 -10.210 1.00 0.00 N ATOM 550 CZ ARG A 37 44.784 14.398 -8.999 1.00 0.00 C ATOM 551 NH1 ARG A 37 45.949 14.899 -8.680 1.00 0.00 N ATOM 552 NH2 ARG A 37 44.066 13.746 -8.127 1.00 0.00 N ATOM 0 H ARG A 37 44.907 19.556 -11.729 1.00 0.00 H new ATOM 0 HA ARG A 37 42.033 18.856 -11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.730 16.557 -10.567 1.00 0.00 H new ATOM 0 HB3 ARG A 37 43.005 16.805 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 37 45.421 17.338 -11.814 1.00 0.00 H new ATOM 0 HG3 ARG A 37 45.146 17.092 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.725 14.949 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 37 46.121 15.042 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 37 43.391 14.134 -10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.495 15.405 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 37 46.312 14.784 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 37 43.160 13.362 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 37 44.410 13.620 -7.175 1.00 0.00 H new ATOM 566 N CYS A 38 43.164 18.257 -8.718 1.00 0.00 N ATOM 567 CA CYS A 38 43.439 18.647 -7.304 1.00 0.00 C ATOM 568 C CYS A 38 44.948 18.740 -7.013 1.00 0.00 C ATOM 569 O CYS A 38 45.765 18.251 -7.769 1.00 0.00 O ATOM 570 CB CYS A 38 42.803 17.619 -6.342 1.00 0.00 C ATOM 571 SG CYS A 38 43.053 18.071 -4.610 1.00 0.00 S ATOM 0 H CYS A 38 42.799 17.314 -8.848 1.00 0.00 H new ATOM 0 HA CYS A 38 43.002 19.633 -7.149 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.735 17.543 -6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 38 43.234 16.635 -6.526 1.00 0.00 H new ATOM 576 N GLY A 39 45.247 19.379 -5.910 1.00 0.00 N ATOM 577 CA GLY A 39 46.653 19.580 -5.444 1.00 0.00 C ATOM 578 C GLY A 39 46.609 20.306 -4.102 1.00 0.00 C ATOM 579 O GLY A 39 45.768 21.168 -3.927 1.00 0.00 O ATOM 0 H GLY A 39 44.546 19.785 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 39 47.161 18.621 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.216 20.162 -6.173 1.00 0.00 H new ATOM 583 N CYS A 40 47.492 19.958 -3.188 1.00 0.00 N ATOM 584 CA CYS A 40 47.488 20.646 -1.861 1.00 0.00 C ATOM 585 C CYS A 40 47.696 22.136 -2.089 1.00 0.00 C ATOM 586 O CYS A 40 48.009 22.570 -3.182 1.00 0.00 O ATOM 587 CB CYS A 40 48.626 20.163 -0.950 1.00 0.00 C ATOM 588 SG CYS A 40 48.708 18.463 -0.342 1.00 0.00 S ATOM 0 H CYS A 40 48.204 19.237 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 40 46.535 20.425 -1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.558 20.352 -1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 40 48.624 20.811 -0.073 1.00 0.00 H new ATOM 593 N ILE A 41 47.523 22.881 -1.038 1.00 0.00 N ATOM 594 CA ILE A 41 47.701 24.349 -1.178 1.00 0.00 C ATOM 595 C ILE A 41 49.206 24.595 -1.386 1.00 0.00 C ATOM 596 O ILE A 41 50.027 23.771 -1.028 1.00 0.00 O ATOM 597 CB ILE A 41 47.235 25.079 0.100 1.00 0.00 C ATOM 598 CG1 ILE A 41 45.911 24.480 0.691 1.00 0.00 C ATOM 599 CG2 ILE A 41 46.975 26.544 -0.314 1.00 0.00 C ATOM 600 CD1 ILE A 41 44.749 24.432 -0.318 1.00 0.00 C ATOM 0 H ILE A 41 47.272 22.548 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 41 47.111 24.726 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 41 47.998 24.978 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 41 46.109 23.471 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.607 25.073 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.641 27.113 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 41 47.895 26.981 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.205 26.573 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 41 43.868 24.006 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 41 44.523 25.442 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.032 23.814 -1.170 1.00 0.00 H new ATOM 612 N SER A 42 49.512 25.726 -1.960 1.00 0.00 N ATOM 613 CA SER A 42 50.936 26.095 -2.222 1.00 0.00 C ATOM 614 C SER A 42 51.619 26.439 -0.891 1.00 0.00 C ATOM 615 O SER A 42 51.560 27.558 -0.416 1.00 0.00 O ATOM 616 CB SER A 42 50.962 27.302 -3.182 1.00 0.00 C ATOM 617 OG SER A 42 50.307 26.827 -4.350 1.00 0.00 O ATOM 0 H SER A 42 48.829 26.420 -2.263 1.00 0.00 H new ATOM 0 HA SER A 42 51.473 25.265 -2.681 1.00 0.00 H new ATOM 0 HB2 SER A 42 50.445 28.162 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 42 51.983 27.619 -3.398 1.00 0.00 H new ATOM 0 HG SER A 42 50.277 27.540 -5.021 1.00 0.00 H new ATOM 623 N GLY A 43 52.247 25.432 -0.339 1.00 0.00 N ATOM 624 CA GLY A 43 52.972 25.565 0.962 1.00 0.00 C ATOM 625 C GLY A 43 52.624 24.388 1.883 1.00 0.00 C ATOM 626 O GLY A 43 53.227 24.230 2.926 1.00 0.00 O ATOM 0 H GLY A 43 52.288 24.498 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.047 25.594 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.702 26.505 1.443 1.00 0.00 H new ATOM 630 N THR A 44 51.661 23.600 1.464 1.00 0.00 N ATOM 631 CA THR A 44 51.211 22.411 2.251 1.00 0.00 C ATOM 632 C THR A 44 51.394 21.138 1.436 1.00 0.00 C ATOM 633 O THR A 44 51.270 21.144 0.227 1.00 0.00 O ATOM 634 CB THR A 44 49.716 22.554 2.631 1.00 0.00 C ATOM 635 OG1 THR A 44 48.983 22.689 1.416 1.00 0.00 O ATOM 636 CG2 THR A 44 49.465 23.854 3.384 1.00 0.00 C ATOM 0 H THR A 44 51.157 23.737 0.588 1.00 0.00 H new ATOM 0 HA THR A 44 51.815 22.354 3.157 1.00 0.00 H new ATOM 0 HB THR A 44 49.429 21.695 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.595 22.934 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.408 23.929 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.060 23.866 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.748 24.699 2.756 1.00 0.00 H new ATOM 644 N VAL A 45 51.679 20.092 2.159 1.00 0.00 N ATOM 645 CA VAL A 45 51.899 18.735 1.579 1.00 0.00 C ATOM 646 C VAL A 45 50.918 17.743 2.178 1.00 0.00 C ATOM 647 O VAL A 45 50.605 17.831 3.347 1.00 0.00 O ATOM 648 CB VAL A 45 53.338 18.218 1.868 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.362 18.938 1.001 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.722 18.470 3.354 1.00 0.00 C ATOM 0 H VAL A 45 51.773 20.124 3.174 1.00 0.00 H new ATOM 0 HA VAL A 45 51.753 18.820 0.502 1.00 0.00 H new ATOM 0 HB VAL A 45 53.344 17.151 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.359 18.557 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.134 18.765 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.327 20.007 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.732 18.102 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.682 19.539 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.022 17.946 4.005 1.00 0.00 H new ATOM 660 N LEU A 46 50.472 16.828 1.353 1.00 0.00 N ATOM 661 CA LEU A 46 49.499 15.781 1.795 1.00 0.00 C ATOM 662 C LEU A 46 50.114 15.138 3.060 1.00 0.00 C ATOM 663 O LEU A 46 51.249 14.705 3.043 1.00 0.00 O ATOM 664 CB LEU A 46 49.358 14.773 0.649 1.00 0.00 C ATOM 665 CG LEU A 46 48.204 13.758 0.842 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.841 14.478 0.739 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.277 12.699 -0.273 1.00 0.00 C ATOM 0 H LEU A 46 50.747 16.762 0.373 1.00 0.00 H new ATOM 0 HA LEU A 46 48.507 16.169 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.198 15.317 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.295 14.226 0.542 1.00 0.00 H new ATOM 0 HG LEU A 46 48.300 13.293 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.037 13.755 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 46 46.775 15.245 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.748 14.942 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.468 11.980 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 46 48.180 13.185 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 46 49.235 12.181 -0.221 1.00 0.00 H new ATOM 679 N LYS A 47 49.339 15.105 4.110 1.00 0.00 N ATOM 680 CA LYS A 47 49.785 14.528 5.422 1.00 0.00 C ATOM 681 C LYS A 47 50.605 13.250 5.323 1.00 0.00 C ATOM 682 O LYS A 47 51.540 13.067 6.079 1.00 0.00 O ATOM 683 CB LYS A 47 48.550 14.255 6.306 1.00 0.00 C ATOM 684 CG LYS A 47 47.857 15.571 6.578 1.00 0.00 C ATOM 685 CD LYS A 47 46.742 15.428 7.647 1.00 0.00 C ATOM 686 CE LYS A 47 45.706 14.357 7.257 1.00 0.00 C ATOM 687 NZ LYS A 47 44.604 14.332 8.259 1.00 0.00 N ATOM 0 H LYS A 47 48.384 15.464 4.117 1.00 0.00 H new ATOM 0 HA LYS A 47 50.447 15.277 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 47 47.871 13.565 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.850 13.784 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 47 48.590 16.305 6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 47 47.426 15.952 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 47 47.190 15.168 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 47 46.241 16.387 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 47 45.304 14.570 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 47 46.183 13.379 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 44.124 13.410 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 44.996 14.482 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 43.921 15.086 8.043 1.00 0.00 H new ATOM 701 N SER A 48 50.235 12.405 4.399 1.00 0.00 N ATOM 702 CA SER A 48 50.981 11.128 4.228 1.00 0.00 C ATOM 703 C SER A 48 51.063 10.758 2.756 1.00 0.00 C ATOM 704 O SER A 48 50.591 11.491 1.907 1.00 0.00 O ATOM 705 CB SER A 48 50.262 10.007 5.012 1.00 0.00 C ATOM 706 OG SER A 48 50.261 10.459 6.358 1.00 0.00 O ATOM 0 H SER A 48 49.453 12.543 3.759 1.00 0.00 H new ATOM 0 HA SER A 48 51.994 11.251 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.248 9.853 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 48 50.785 9.056 4.913 1.00 0.00 H new ATOM 0 HG SER A 48 49.816 9.796 6.925 1.00 0.00 H new ATOM 712 N LYS A 49 51.671 9.620 2.522 1.00 0.00 N ATOM 713 CA LYS A 49 51.855 9.076 1.141 1.00 0.00 C ATOM 714 C LYS A 49 50.552 9.170 0.333 1.00 0.00 C ATOM 715 O LYS A 49 50.575 9.259 -0.880 1.00 0.00 O ATOM 716 CB LYS A 49 52.318 7.609 1.270 1.00 0.00 C ATOM 717 CG LYS A 49 52.547 6.936 -0.111 1.00 0.00 C ATOM 718 CD LYS A 49 53.635 7.682 -0.922 1.00 0.00 C ATOM 719 CE LYS A 49 53.837 6.973 -2.269 1.00 0.00 C ATOM 720 NZ LYS A 49 54.877 7.685 -3.061 1.00 0.00 N ATOM 0 H LYS A 49 52.059 9.028 3.256 1.00 0.00 H new ATOM 0 HA LYS A 49 52.603 9.661 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.242 7.572 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 49 51.572 7.043 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 49 52.844 5.897 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 49 51.613 6.926 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 49 53.338 8.718 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.571 7.702 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.137 5.938 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 49 52.898 6.949 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 55.011 7.202 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 54.574 8.665 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 55.774 7.686 -2.535 1.00 0.00 H new ATOM 734 N ASP A 50 49.458 9.151 1.055 1.00 0.00 N ATOM 735 CA ASP A 50 48.115 9.234 0.411 1.00 0.00 C ATOM 736 C ASP A 50 47.038 9.554 1.470 1.00 0.00 C ATOM 737 O ASP A 50 46.127 8.778 1.689 1.00 0.00 O ATOM 738 CB ASP A 50 47.831 7.871 -0.294 1.00 0.00 C ATOM 739 CG ASP A 50 46.477 7.920 -1.032 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.394 8.708 -1.962 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.604 7.169 -0.629 1.00 0.00 O ATOM 0 H ASP A 50 49.441 9.081 2.072 1.00 0.00 H new ATOM 0 HA ASP A 50 48.092 10.035 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.630 7.646 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 50 47.822 7.068 0.443 1.00 0.00 H new ATOM 746 N SER A 51 47.165 10.695 2.110 1.00 0.00 N ATOM 747 CA SER A 51 46.165 11.088 3.151 1.00 0.00 C ATOM 748 C SER A 51 45.014 11.848 2.444 1.00 0.00 C ATOM 749 O SER A 51 44.803 11.657 1.261 1.00 0.00 O ATOM 750 CB SER A 51 46.913 11.956 4.172 1.00 0.00 C ATOM 751 OG SER A 51 45.979 12.180 5.216 1.00 0.00 O ATOM 0 H SER A 51 47.916 11.367 1.955 1.00 0.00 H new ATOM 0 HA SER A 51 45.723 10.239 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 51 47.805 11.450 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.241 12.895 3.727 1.00 0.00 H new ATOM 0 HG SER A 51 46.165 11.567 5.958 1.00 0.00 H new ATOM 757 N SER A 52 44.305 12.676 3.173 1.00 0.00 N ATOM 758 CA SER A 52 43.168 13.469 2.604 1.00 0.00 C ATOM 759 C SER A 52 43.393 14.973 2.811 1.00 0.00 C ATOM 760 O SER A 52 42.861 15.773 2.066 1.00 0.00 O ATOM 761 CB SER A 52 41.868 13.030 3.297 1.00 0.00 C ATOM 762 OG SER A 52 42.077 13.291 4.679 1.00 0.00 O ATOM 0 H SER A 52 44.472 12.840 4.166 1.00 0.00 H new ATOM 0 HA SER A 52 43.102 13.286 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 52 41.011 13.586 2.916 1.00 0.00 H new ATOM 0 HB3 SER A 52 41.666 11.973 3.122 1.00 0.00 H new ATOM 0 HG SER A 52 41.278 13.033 5.185 1.00 0.00 H new ATOM 768 N GLU A 53 44.168 15.308 3.815 1.00 0.00 N ATOM 769 CA GLU A 53 44.458 16.748 4.110 1.00 0.00 C ATOM 770 C GLU A 53 45.926 17.048 3.862 1.00 0.00 C ATOM 771 O GLU A 53 46.674 16.155 3.526 1.00 0.00 O ATOM 772 CB GLU A 53 44.083 17.059 5.575 1.00 0.00 C ATOM 773 CG GLU A 53 42.585 16.761 5.779 1.00 0.00 C ATOM 774 CD GLU A 53 42.195 17.086 7.229 1.00 0.00 C ATOM 775 OE1 GLU A 53 42.445 16.232 8.063 1.00 0.00 O ATOM 776 OE2 GLU A 53 41.667 18.171 7.420 1.00 0.00 O ATOM 0 H GLU A 53 44.614 14.643 4.446 1.00 0.00 H new ATOM 0 HA GLU A 53 43.863 17.379 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.684 16.455 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.295 18.103 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 53 41.987 17.355 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.378 15.713 5.561 1.00 0.00 H new ATOM 783 N CYS A 54 46.297 18.291 4.033 1.00 0.00 N ATOM 784 CA CYS A 54 47.718 18.696 3.810 1.00 0.00 C ATOM 785 C CYS A 54 48.167 19.678 4.896 1.00 0.00 C ATOM 786 O CYS A 54 47.405 20.524 5.321 1.00 0.00 O ATOM 787 CB CYS A 54 47.824 19.366 2.449 1.00 0.00 C ATOM 788 SG CYS A 54 47.200 18.480 0.999 1.00 0.00 S ATOM 0 H CYS A 54 45.674 19.046 4.319 1.00 0.00 H new ATOM 0 HA CYS A 54 48.358 17.814 3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.298 20.319 2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.875 19.592 2.272 1.00 0.00 H new ATOM 793 N VAL A 55 49.400 19.522 5.303 1.00 0.00 N ATOM 794 CA VAL A 55 49.995 20.403 6.351 1.00 0.00 C ATOM 795 C VAL A 55 51.374 20.844 5.866 1.00 0.00 C ATOM 796 O VAL A 55 52.002 20.162 5.082 1.00 0.00 O ATOM 797 CB VAL A 55 50.145 19.639 7.692 1.00 0.00 C ATOM 798 CG1 VAL A 55 48.779 19.132 8.189 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.149 18.458 7.594 1.00 0.00 C ATOM 0 H VAL A 55 50.032 18.806 4.945 1.00 0.00 H new ATOM 0 HA VAL A 55 49.345 21.262 6.518 1.00 0.00 H new ATOM 0 HB VAL A 55 50.547 20.350 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 55 48.909 18.599 9.131 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.110 19.979 8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.349 18.458 7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.217 17.957 8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.805 17.749 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.131 18.838 7.313 1.00 0.00 H new ATOM 809 N HIS A 56 51.803 21.974 6.355 1.00 0.00 N ATOM 810 CA HIS A 56 53.135 22.529 5.966 1.00 0.00 C ATOM 811 C HIS A 56 54.333 21.607 6.278 1.00 0.00 C ATOM 812 O HIS A 56 54.254 20.749 7.139 1.00 0.00 O ATOM 813 CB HIS A 56 53.312 23.858 6.690 1.00 0.00 C ATOM 814 CG HIS A 56 52.243 24.843 6.208 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.369 25.636 5.195 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.976 25.111 6.696 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.290 26.336 5.052 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.397 26.042 5.963 1.00 0.00 N ATOM 0 H HIS A 56 51.281 22.547 7.018 1.00 0.00 H new ATOM 0 HA HIS A 56 53.134 22.641 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.230 23.712 7.767 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.307 24.260 6.498 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.194 25.700 4.599 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.527 24.628 7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.144 27.073 4.276 1.00 0.00 H new ATOM 826 N PRO A 57 55.419 21.822 5.562 1.00 0.00 N ATOM 827 CA PRO A 57 56.720 21.228 5.915 1.00 0.00 C ATOM 828 C PRO A 57 57.301 21.832 7.207 1.00 0.00 C ATOM 829 O PRO A 57 58.414 21.516 7.583 1.00 0.00 O ATOM 830 CB PRO A 57 57.604 21.535 4.695 1.00 0.00 C ATOM 831 CG PRO A 57 57.003 22.751 4.093 1.00 0.00 C ATOM 832 CD PRO A 57 55.527 22.650 4.340 1.00 0.00 C ATOM 0 HA PRO A 57 56.646 20.161 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.639 21.709 4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.608 20.704 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.413 23.654 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.217 22.804 3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.079 23.633 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.013 22.186 3.498 1.00 0.00 H new ATOM 840 N SER A 58 56.527 22.684 7.837 1.00 0.00 N ATOM 841 CA SER A 58 56.968 23.335 9.107 1.00 0.00 C ATOM 842 C SER A 58 57.020 22.242 10.185 1.00 0.00 C ATOM 843 O SER A 58 57.892 22.232 11.031 1.00 0.00 O ATOM 844 CB SER A 58 55.953 24.434 9.487 1.00 0.00 C ATOM 845 OG SER A 58 54.709 23.762 9.642 1.00 0.00 O ATOM 0 H SER A 58 55.597 22.958 7.519 1.00 0.00 H new ATOM 0 HA SER A 58 57.949 23.800 9.003 1.00 0.00 H new ATOM 0 HB2 SER A 58 56.245 24.937 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 58 55.893 25.198 8.712 1.00 0.00 H new ATOM 0 HG SER A 58 54.016 24.410 9.888 1.00 0.00 H new ATOM 851 N LYS A 59 56.058 21.356 10.092 1.00 0.00 N ATOM 852 CA LYS A 59 55.939 20.213 11.046 1.00 0.00 C ATOM 853 C LYS A 59 56.393 18.939 10.323 1.00 0.00 C ATOM 854 O LYS A 59 57.082 18.118 10.898 1.00 0.00 O ATOM 855 CB LYS A 59 54.463 20.107 11.515 1.00 0.00 C ATOM 856 CG LYS A 59 53.469 19.904 10.348 1.00 0.00 C ATOM 857 CD LYS A 59 52.022 19.873 10.898 1.00 0.00 C ATOM 858 CE LYS A 59 51.796 18.709 11.889 1.00 0.00 C ATOM 859 NZ LYS A 59 52.075 17.405 11.224 1.00 0.00 N ATOM 0 H LYS A 59 55.333 21.380 9.375 1.00 0.00 H new ATOM 0 HA LYS A 59 56.565 20.359 11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 59 54.369 19.276 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 59 54.195 21.013 12.059 1.00 0.00 H new ATOM 0 HG2 LYS A 59 53.576 20.710 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 59 53.690 18.973 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 59 51.804 20.818 11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 59 51.322 19.781 10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 59 52.445 18.829 12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 59 50.769 18.727 12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 51.246 16.784 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 52.278 17.565 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 52.896 16.954 11.675 1.00 0.00 H new ATOM 873 N CYS A 60 55.992 18.817 9.080 1.00 0.00 N ATOM 874 CA CYS A 60 56.378 17.619 8.272 1.00 0.00 C ATOM 875 C CYS A 60 57.783 17.707 7.656 1.00 0.00 C ATOM 876 O CYS A 60 58.319 16.645 7.386 1.00 0.00 O ATOM 877 CB CYS A 60 55.326 17.425 7.167 1.00 0.00 C ATOM 878 SG CYS A 60 53.817 16.564 7.669 1.00 0.00 S ATOM 879 OXT CYS A 60 58.247 18.821 7.488 1.00 0.00 O ATOM 0 H CYS A 60 55.412 19.498 8.590 1.00 0.00 H new ATOM 0 HA CYS A 60 56.410 16.765 8.948 1.00 0.00 H new ATOM 0 HB2 CYS A 60 55.051 18.404 6.776 1.00 0.00 H new ATOM 0 HB3 CYS A 60 55.784 16.871 6.347 1.00 0.00 H new TER 884 CYS A 60