USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 29:sc= 0.812 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.651 (180deg=-1.54) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 110:sc= -1.3 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 153:sc=-0.00217 (180deg=-0.17) USER MOD Single : A 31 GLN : amide:sc= -4.69! C(o=-4.7!,f=-8.4!) USER MOD Single : A 32 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= -0.203 (180deg=-0.81) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.385 1.378 -1.145 1.00 65.43 N ATOM 2 CA MET A 1 0.336 0.550 -1.729 1.00 23.31 C ATOM 3 C MET A 1 0.933 -0.547 -2.605 1.00 24.11 C ATOM 4 O MET A 1 1.336 -0.297 -3.741 1.00 50.31 O ATOM 5 CB MET A 1 -0.623 1.411 -2.553 1.00 33.34 C ATOM 6 CG MET A 1 -1.970 1.631 -1.882 1.00 43.04 C ATOM 7 SD MET A 1 -3.324 1.748 -3.067 1.00 33.22 S ATOM 8 CE MET A 1 -3.757 3.479 -2.917 1.00 2.42 C ATOM 0 H1 MET A 1 0.955 2.117 -0.553 1.00 65.43 H new ATOM 0 H2 MET A 1 2.009 0.786 -0.560 1.00 65.43 H new ATOM 0 H3 MET A 1 1.940 1.822 -1.904 1.00 65.43 H new ATOM 0 HA MET A 1 -0.216 0.080 -0.915 1.00 23.31 H new ATOM 0 HB2 MET A 1 -0.158 2.379 -2.743 1.00 33.34 H new ATOM 0 HB3 MET A 1 -0.782 0.938 -3.522 1.00 33.34 H new ATOM 0 HG2 MET A 1 -2.166 0.811 -1.192 1.00 43.04 H new ATOM 0 HG3 MET A 1 -1.931 2.545 -1.289 1.00 43.04 H new ATOM 0 HE1 MET A 1 -4.583 3.707 -3.591 1.00 2.42 H new ATOM 0 HE2 MET A 1 -4.057 3.691 -1.891 1.00 2.42 H new ATOM 0 HE3 MET A 1 -2.895 4.094 -3.178 1.00 2.42 H new ATOM 18 N ASP A 2 0.988 -1.762 -2.069 1.00 51.54 N ATOM 19 CA ASP A 2 1.535 -2.897 -2.803 1.00 3.20 C ATOM 20 C ASP A 2 3.011 -2.678 -3.121 1.00 2.32 C ATOM 21 O ASP A 2 3.539 -1.580 -2.938 1.00 22.40 O ATOM 22 CB ASP A 2 0.750 -3.122 -4.096 1.00 63.11 C ATOM 23 CG ASP A 2 -0.260 -4.245 -3.972 1.00 33.33 C ATOM 24 OD1 ASP A 2 0.147 -5.423 -4.058 1.00 3.15 O ATOM 25 OD2 ASP A 2 -1.459 -3.947 -3.788 1.00 4.14 O ATOM 0 H ASP A 2 0.661 -1.986 -1.129 1.00 51.54 H new ATOM 0 HA ASP A 2 1.445 -3.782 -2.174 1.00 3.20 H new ATOM 0 HB2 ASP A 2 0.234 -2.202 -4.369 1.00 63.11 H new ATOM 0 HB3 ASP A 2 1.445 -3.350 -4.904 1.00 63.11 H new ATOM 30 N ILE A 3 3.671 -3.729 -3.596 1.00 40.50 N ATOM 31 CA ILE A 3 5.086 -3.650 -3.939 1.00 34.51 C ATOM 32 C ILE A 3 5.305 -3.896 -5.428 1.00 33.31 C ATOM 33 O ILE A 3 4.423 -4.406 -6.120 1.00 21.13 O ATOM 34 CB ILE A 3 5.917 -4.667 -3.134 1.00 72.24 C ATOM 35 CG1 ILE A 3 5.307 -4.873 -1.746 1.00 73.25 C ATOM 36 CG2 ILE A 3 7.360 -4.200 -3.021 1.00 0.55 C ATOM 37 CD1 ILE A 3 6.061 -5.872 -0.897 1.00 73.52 C ATOM 0 H ILE A 3 3.249 -4.644 -3.752 1.00 40.50 H new ATOM 0 HA ILE A 3 5.417 -2.642 -3.687 1.00 34.51 H new ATOM 0 HB ILE A 3 5.905 -5.622 -3.660 1.00 72.24 H new ATOM 0 HG12 ILE A 3 5.277 -3.916 -1.226 1.00 73.25 H new ATOM 0 HG13 ILE A 3 4.276 -5.208 -1.857 1.00 73.25 H new ATOM 0 HG21 ILE A 3 7.935 -4.929 -2.450 1.00 0.55 H new ATOM 0 HG22 ILE A 3 7.789 -4.100 -4.018 1.00 0.55 H new ATOM 0 HG23 ILE A 3 7.392 -3.235 -2.514 1.00 0.55 H new ATOM 0 HD11 ILE A 3 5.572 -5.968 0.073 1.00 73.52 H new ATOM 0 HD12 ILE A 3 6.069 -6.841 -1.396 1.00 73.52 H new ATOM 0 HD13 ILE A 3 7.086 -5.529 -0.755 1.00 73.52 H new ATOM 49 N ASP A 4 6.486 -3.532 -5.914 1.00 60.33 N ATOM 50 CA ASP A 4 6.823 -3.716 -7.321 1.00 41.12 C ATOM 51 C ASP A 4 8.333 -3.834 -7.507 1.00 54.24 C ATOM 52 O ASP A 4 9.093 -2.975 -7.059 1.00 31.50 O ATOM 53 CB ASP A 4 6.284 -2.551 -8.153 1.00 74.30 C ATOM 54 CG ASP A 4 4.769 -2.481 -8.137 1.00 62.11 C ATOM 55 OD1 ASP A 4 4.125 -3.446 -8.600 1.00 42.13 O ATOM 56 OD2 ASP A 4 4.228 -1.462 -7.661 1.00 0.25 O ATOM 0 H ASP A 4 7.226 -3.108 -5.355 1.00 60.33 H new ATOM 0 HA ASP A 4 6.359 -4.641 -7.662 1.00 41.12 H new ATOM 0 HB2 ASP A 4 6.692 -1.616 -7.770 1.00 74.30 H new ATOM 0 HB3 ASP A 4 6.629 -2.652 -9.182 1.00 74.30 H new ATOM 61 N PHE A 5 8.760 -4.903 -8.171 1.00 20.02 N ATOM 62 CA PHE A 5 10.179 -5.135 -8.415 1.00 10.34 C ATOM 63 C PHE A 5 10.734 -4.116 -9.406 1.00 72.32 C ATOM 64 O PHE A 5 11.912 -3.762 -9.355 1.00 15.22 O ATOM 65 CB PHE A 5 10.402 -6.553 -8.944 1.00 3.21 C ATOM 66 CG PHE A 5 11.831 -6.838 -9.311 1.00 13.23 C ATOM 67 CD1 PHE A 5 12.717 -7.330 -8.367 1.00 22.34 C ATOM 68 CD2 PHE A 5 12.287 -6.612 -10.599 1.00 60.54 C ATOM 69 CE1 PHE A 5 14.032 -7.594 -8.701 1.00 2.11 C ATOM 70 CE2 PHE A 5 13.601 -6.875 -10.940 1.00 13.44 C ATOM 71 CZ PHE A 5 14.475 -7.365 -9.989 1.00 13.31 C ATOM 0 H PHE A 5 8.144 -5.622 -8.550 1.00 20.02 H new ATOM 0 HA PHE A 5 10.709 -5.021 -7.469 1.00 10.34 H new ATOM 0 HB2 PHE A 5 10.080 -7.269 -8.188 1.00 3.21 H new ATOM 0 HB3 PHE A 5 9.772 -6.709 -9.820 1.00 3.21 H new ATOM 0 HD1 PHE A 5 12.376 -7.510 -7.358 1.00 22.34 H new ATOM 0 HD2 PHE A 5 11.609 -6.226 -11.346 1.00 60.54 H new ATOM 0 HE1 PHE A 5 14.712 -7.979 -7.956 1.00 2.11 H new ATOM 0 HE2 PHE A 5 13.944 -6.698 -11.949 1.00 13.44 H new ATOM 0 HZ PHE A 5 15.502 -7.569 -10.252 1.00 13.31 H new ATOM 81 N SER A 6 9.876 -3.650 -10.309 1.00 24.24 N ATOM 82 CA SER A 6 10.281 -2.676 -11.315 1.00 52.14 C ATOM 83 C SER A 6 9.905 -1.261 -10.884 1.00 64.43 C ATOM 84 O SER A 6 8.731 -0.951 -10.683 1.00 75.45 O ATOM 85 CB SER A 6 9.629 -3.001 -12.661 1.00 22.11 C ATOM 86 OG SER A 6 8.253 -2.662 -12.656 1.00 43.14 O ATOM 0 H SER A 6 8.897 -3.931 -10.364 1.00 24.24 H new ATOM 0 HA SER A 6 11.365 -2.729 -11.421 1.00 52.14 H new ATOM 0 HB2 SER A 6 10.138 -2.456 -13.456 1.00 22.11 H new ATOM 0 HB3 SER A 6 9.744 -4.063 -12.878 1.00 22.11 H new ATOM 0 HG SER A 6 8.101 -1.919 -12.035 1.00 43.14 H new ATOM 92 N THR A 7 10.913 -0.405 -10.743 1.00 72.35 N ATOM 93 CA THR A 7 10.691 0.976 -10.335 1.00 74.12 C ATOM 94 C THR A 7 11.701 1.912 -10.989 1.00 20.34 C ATOM 95 O THR A 7 11.870 3.055 -10.563 1.00 21.33 O ATOM 96 CB THR A 7 10.779 1.131 -8.805 1.00 63.32 C ATOM 97 OG1 THR A 7 11.641 0.126 -8.260 1.00 64.43 O ATOM 98 CG2 THR A 7 9.401 1.023 -8.170 1.00 4.14 C ATOM 0 H THR A 7 11.891 -0.645 -10.906 1.00 72.35 H new ATOM 0 HA THR A 7 9.687 1.245 -10.662 1.00 74.12 H new ATOM 0 HB THR A 7 11.187 2.118 -8.585 1.00 63.32 H new ATOM 0 HG1 THR A 7 11.693 0.232 -7.287 1.00 64.43 H new ATOM 0 HG21 THR A 7 9.489 1.136 -7.089 1.00 4.14 H new ATOM 0 HG22 THR A 7 8.756 1.807 -8.565 1.00 4.14 H new ATOM 0 HG23 THR A 7 8.970 0.049 -8.400 1.00 4.14 H new ATOM 106 N CYS A 8 12.371 1.421 -12.026 1.00 33.41 N ATOM 107 CA CYS A 8 13.365 2.213 -12.739 1.00 70.24 C ATOM 108 C CYS A 8 13.215 2.043 -14.248 1.00 50.15 C ATOM 109 O CYS A 8 12.673 1.044 -14.720 1.00 64.22 O ATOM 110 CB CYS A 8 14.776 1.808 -12.307 1.00 52.14 C ATOM 111 SG CYS A 8 16.018 3.127 -12.495 1.00 41.14 S ATOM 0 H CYS A 8 12.243 0.477 -12.391 1.00 33.41 H new ATOM 0 HA CYS A 8 13.203 3.262 -12.491 1.00 70.24 H new ATOM 0 HB2 CYS A 8 14.749 1.495 -11.263 1.00 52.14 H new ATOM 0 HB3 CYS A 8 15.089 0.943 -12.891 1.00 52.14 H new ATOM 116 N ALA A 9 13.699 3.027 -15.000 1.00 30.41 N ATOM 117 CA ALA A 9 13.621 2.985 -16.455 1.00 1.51 C ATOM 118 C ALA A 9 14.569 1.936 -17.026 1.00 12.11 C ATOM 119 O ALA A 9 14.513 1.617 -18.214 1.00 23.34 O ATOM 120 CB ALA A 9 13.933 4.355 -17.039 1.00 45.20 C ATOM 0 H ALA A 9 14.149 3.862 -14.625 1.00 30.41 H new ATOM 0 HA ALA A 9 12.604 2.706 -16.732 1.00 1.51 H new ATOM 0 HB1 ALA A 9 13.871 4.310 -18.126 1.00 45.20 H new ATOM 0 HB2 ALA A 9 13.213 5.083 -16.665 1.00 45.20 H new ATOM 0 HB3 ALA A 9 14.939 4.655 -16.745 1.00 45.20 H new ATOM 126 N ARG A 10 15.438 1.404 -16.173 1.00 42.01 N ATOM 127 CA ARG A 10 16.400 0.392 -16.594 1.00 35.11 C ATOM 128 C ARG A 10 15.842 -1.012 -16.375 1.00 40.45 C ATOM 129 O ARG A 10 16.596 -1.972 -16.218 1.00 54.32 O ATOM 130 CB ARG A 10 17.713 0.556 -15.827 1.00 61.42 C ATOM 131 CG ARG A 10 18.237 1.982 -15.814 1.00 42.23 C ATOM 132 CD ARG A 10 18.570 2.466 -17.217 1.00 25.10 C ATOM 133 NE ARG A 10 19.882 3.105 -17.278 1.00 63.24 N ATOM 134 CZ ARG A 10 20.352 3.716 -18.360 1.00 63.22 C ATOM 135 NH1 ARG A 10 19.621 3.771 -19.465 1.00 21.12 N ATOM 136 NH2 ARG A 10 21.556 4.274 -18.338 1.00 71.12 N ATOM 0 H ARG A 10 15.496 1.657 -15.186 1.00 42.01 H new ATOM 0 HA ARG A 10 16.590 0.527 -17.659 1.00 35.11 H new ATOM 0 HB2 ARG A 10 17.568 0.222 -14.800 1.00 61.42 H new ATOM 0 HB3 ARG A 10 18.467 -0.095 -16.270 1.00 61.42 H new ATOM 0 HG2 ARG A 10 17.492 2.641 -15.368 1.00 42.23 H new ATOM 0 HG3 ARG A 10 19.127 2.038 -15.188 1.00 42.23 H new ATOM 0 HD2 ARG A 10 18.545 1.623 -17.907 1.00 25.10 H new ATOM 0 HD3 ARG A 10 17.807 3.171 -17.548 1.00 25.10 H new ATOM 0 HE ARG A 10 20.469 3.081 -16.444 1.00 63.24 H new ATOM 0 HH11 ARG A 10 18.695 3.344 -19.486 1.00 21.12 H new ATOM 0 HH12 ARG A 10 19.985 4.241 -20.294 1.00 21.12 H new ATOM 0 HH21 ARG A 10 22.121 4.234 -17.490 1.00 71.12 H new ATOM 0 HH22 ARG A 10 21.916 4.743 -19.169 1.00 71.12 H new ATOM 150 N MET A 11 14.518 -1.122 -16.367 1.00 14.14 N ATOM 151 CA MET A 11 13.860 -2.408 -16.168 1.00 74.00 C ATOM 152 C MET A 11 13.434 -3.013 -17.502 1.00 41.33 C ATOM 153 O MET A 11 13.734 -2.468 -18.565 1.00 23.50 O ATOM 154 CB MET A 11 12.642 -2.247 -15.256 1.00 54.44 C ATOM 155 CG MET A 11 12.830 -2.857 -13.877 1.00 73.22 C ATOM 156 SD MET A 11 12.387 -4.604 -13.825 1.00 32.23 S ATOM 157 CE MET A 11 13.916 -5.358 -14.374 1.00 1.13 C ATOM 0 H MET A 11 13.880 -0.337 -16.496 1.00 14.14 H new ATOM 0 HA MET A 11 14.573 -3.083 -15.694 1.00 74.00 H new ATOM 0 HB2 MET A 11 12.418 -1.186 -15.147 1.00 54.44 H new ATOM 0 HB3 MET A 11 11.777 -2.708 -15.733 1.00 54.44 H new ATOM 0 HG2 MET A 11 13.870 -2.740 -13.571 1.00 73.22 H new ATOM 0 HG3 MET A 11 12.222 -2.310 -13.156 1.00 73.22 H new ATOM 0 HE1 MET A 11 13.937 -6.404 -14.067 1.00 1.13 H new ATOM 0 HE2 MET A 11 13.982 -5.297 -15.460 1.00 1.13 H new ATOM 0 HE3 MET A 11 14.761 -4.833 -13.929 1.00 1.13 H new ATOM 167 N ASP A 12 12.735 -4.140 -17.439 1.00 75.23 N ATOM 168 CA ASP A 12 12.267 -4.818 -18.643 1.00 22.31 C ATOM 169 C ASP A 12 11.197 -3.993 -19.351 1.00 20.23 C ATOM 170 O ASP A 12 10.902 -4.216 -20.525 1.00 45.41 O ATOM 171 CB ASP A 12 11.715 -6.201 -18.293 1.00 54.11 C ATOM 172 CG ASP A 12 12.239 -7.284 -19.215 1.00 24.34 C ATOM 173 OD1 ASP A 12 11.452 -7.795 -20.039 1.00 63.01 O ATOM 174 OD2 ASP A 12 13.437 -7.621 -19.112 1.00 43.20 O ATOM 0 H ASP A 12 12.480 -4.604 -16.567 1.00 75.23 H new ATOM 0 HA ASP A 12 13.115 -4.934 -19.318 1.00 22.31 H new ATOM 0 HB2 ASP A 12 11.979 -6.445 -17.264 1.00 54.11 H new ATOM 0 HB3 ASP A 12 10.627 -6.178 -18.346 1.00 54.11 H new ATOM 179 N VAL A 13 10.617 -3.040 -18.628 1.00 22.23 N ATOM 180 CA VAL A 13 9.579 -2.182 -19.186 1.00 45.40 C ATOM 181 C VAL A 13 10.069 -0.744 -19.321 1.00 21.15 C ATOM 182 O VAL A 13 9.743 0.127 -18.514 1.00 22.02 O ATOM 183 CB VAL A 13 8.308 -2.200 -18.317 1.00 30.11 C ATOM 184 CG1 VAL A 13 7.512 -3.473 -18.562 1.00 54.45 C ATOM 185 CG2 VAL A 13 8.667 -2.062 -16.845 1.00 41.32 C ATOM 0 H VAL A 13 10.849 -2.843 -17.654 1.00 22.23 H new ATOM 0 HA VAL A 13 9.340 -2.576 -20.174 1.00 45.40 H new ATOM 0 HB VAL A 13 7.685 -1.350 -18.597 1.00 30.11 H new ATOM 0 HG11 VAL A 13 6.617 -3.468 -17.939 1.00 54.45 H new ATOM 0 HG12 VAL A 13 7.223 -3.525 -19.612 1.00 54.45 H new ATOM 0 HG13 VAL A 13 8.124 -4.339 -18.311 1.00 54.45 H new ATOM 0 HG21 VAL A 13 7.757 -2.077 -16.246 1.00 41.32 H new ATOM 0 HG22 VAL A 13 9.310 -2.890 -16.548 1.00 41.32 H new ATOM 0 HG23 VAL A 13 9.192 -1.120 -16.685 1.00 41.32 H new ATOM 195 N PRO A 14 10.871 -0.487 -20.365 1.00 31.43 N ATOM 196 CA PRO A 14 11.422 0.845 -20.631 1.00 22.53 C ATOM 197 C PRO A 14 10.354 1.834 -21.082 1.00 51.53 C ATOM 198 O PRO A 14 10.614 3.032 -21.199 1.00 3.41 O ATOM 199 CB PRO A 14 12.429 0.593 -21.756 1.00 53.54 C ATOM 200 CG PRO A 14 11.935 -0.636 -22.438 1.00 44.24 C ATOM 201 CD PRO A 14 11.301 -1.478 -21.366 1.00 54.43 C ATOM 0 HA PRO A 14 11.862 1.291 -19.739 1.00 22.53 H new ATOM 0 HB2 PRO A 14 12.473 1.437 -22.444 1.00 53.54 H new ATOM 0 HB3 PRO A 14 13.435 0.450 -21.362 1.00 53.54 H new ATOM 0 HG2 PRO A 14 11.214 -0.387 -23.216 1.00 44.24 H new ATOM 0 HG3 PRO A 14 12.753 -1.170 -22.921 1.00 44.24 H new ATOM 0 HD2 PRO A 14 10.458 -2.052 -21.751 1.00 54.43 H new ATOM 0 HD3 PRO A 14 12.008 -2.193 -20.946 1.00 54.43 H new ATOM 209 N ILE A 15 9.152 1.327 -21.335 1.00 22.24 N ATOM 210 CA ILE A 15 8.045 2.168 -21.772 1.00 33.42 C ATOM 211 C ILE A 15 7.865 3.365 -20.845 1.00 54.21 C ATOM 212 O ILE A 15 7.487 3.213 -19.682 1.00 41.45 O ATOM 213 CB ILE A 15 6.725 1.375 -21.830 1.00 44.24 C ATOM 214 CG1 ILE A 15 6.510 0.604 -20.527 1.00 20.13 C ATOM 215 CG2 ILE A 15 6.730 0.426 -23.019 1.00 62.03 C ATOM 216 CD1 ILE A 15 5.161 0.857 -19.891 1.00 31.40 C ATOM 0 H ILE A 15 8.920 0.338 -21.245 1.00 22.24 H new ATOM 0 HA ILE A 15 8.292 2.521 -22.773 1.00 33.42 H new ATOM 0 HB ILE A 15 5.901 2.078 -21.954 1.00 44.24 H new ATOM 0 HG12 ILE A 15 6.616 -0.463 -20.724 1.00 20.13 H new ATOM 0 HG13 ILE A 15 7.293 0.877 -19.820 1.00 20.13 H new ATOM 0 HG21 ILE A 15 5.791 -0.127 -23.047 1.00 62.03 H new ATOM 0 HG22 ILE A 15 6.842 0.998 -23.940 1.00 62.03 H new ATOM 0 HG23 ILE A 15 7.561 -0.273 -22.923 1.00 62.03 H new ATOM 0 HD11 ILE A 15 5.078 0.278 -18.971 1.00 31.40 H new ATOM 0 HD12 ILE A 15 5.060 1.918 -19.662 1.00 31.40 H new ATOM 0 HD13 ILE A 15 4.372 0.558 -20.581 1.00 31.40 H new ATOM 228 N LEU A 16 8.135 4.556 -21.367 1.00 43.25 N ATOM 229 CA LEU A 16 8.001 5.782 -20.588 1.00 24.02 C ATOM 230 C LEU A 16 8.983 5.795 -19.421 1.00 24.03 C ATOM 231 O LEU A 16 8.608 5.539 -18.276 1.00 41.03 O ATOM 232 CB LEU A 16 6.570 5.925 -20.067 1.00 23.52 C ATOM 233 CG LEU A 16 5.457 5.675 -21.085 1.00 22.40 C ATOM 234 CD1 LEU A 16 4.114 5.539 -20.385 1.00 11.41 C ATOM 235 CD2 LEU A 16 5.414 6.795 -22.114 1.00 2.02 C ATOM 0 H LEU A 16 8.448 4.699 -22.327 1.00 43.25 H new ATOM 0 HA LEU A 16 8.229 6.625 -21.240 1.00 24.02 H new ATOM 0 HB2 LEU A 16 6.437 5.233 -19.235 1.00 23.52 H new ATOM 0 HB3 LEU A 16 6.449 6.932 -19.667 1.00 23.52 H new ATOM 0 HG LEU A 16 5.669 4.740 -21.604 1.00 22.40 H new ATOM 0 HD11 LEU A 16 3.334 5.362 -21.125 1.00 11.41 H new ATOM 0 HD12 LEU A 16 4.150 4.702 -19.688 1.00 11.41 H new ATOM 0 HD13 LEU A 16 3.894 6.456 -19.839 1.00 11.41 H new ATOM 0 HD21 LEU A 16 4.616 6.600 -22.830 1.00 2.02 H new ATOM 0 HD22 LEU A 16 5.227 7.744 -21.611 1.00 2.02 H new ATOM 0 HD23 LEU A 16 6.368 6.844 -22.638 1.00 2.02 H new ATOM 247 N LYS A 17 10.243 6.097 -19.717 1.00 71.23 N ATOM 248 CA LYS A 17 11.280 6.147 -18.693 1.00 54.33 C ATOM 249 C LYS A 17 10.905 7.129 -17.587 1.00 73.15 C ATOM 250 O LYS A 17 11.150 6.875 -16.408 1.00 44.10 O ATOM 251 CB LYS A 17 12.619 6.549 -19.314 1.00 43.41 C ATOM 252 CG LYS A 17 12.980 5.749 -20.554 1.00 13.41 C ATOM 253 CD LYS A 17 14.422 5.275 -20.511 1.00 64.53 C ATOM 254 CE LYS A 17 14.673 4.162 -21.518 1.00 41.53 C ATOM 255 NZ LYS A 17 15.862 4.443 -22.370 1.00 24.25 N ATOM 0 H LYS A 17 10.571 6.311 -20.659 1.00 71.23 H new ATOM 0 HA LYS A 17 11.373 5.153 -18.256 1.00 54.33 H new ATOM 0 HB2 LYS A 17 12.587 7.608 -19.572 1.00 43.41 H new ATOM 0 HB3 LYS A 17 13.406 6.426 -18.570 1.00 43.41 H new ATOM 0 HG2 LYS A 17 12.316 4.889 -20.639 1.00 13.41 H new ATOM 0 HG3 LYS A 17 12.824 6.362 -21.442 1.00 13.41 H new ATOM 0 HD2 LYS A 17 15.088 6.113 -20.719 1.00 64.53 H new ATOM 0 HD3 LYS A 17 14.660 4.920 -19.508 1.00 64.53 H new ATOM 0 HE2 LYS A 17 14.819 3.220 -20.989 1.00 41.53 H new ATOM 0 HE3 LYS A 17 13.794 4.039 -22.150 1.00 41.53 H new ATOM 0 HZ1 LYS A 17 16.000 3.662 -23.043 1.00 24.25 H new ATOM 0 HZ2 LYS A 17 15.712 5.329 -22.894 1.00 24.25 H new ATOM 0 HZ3 LYS A 17 16.706 4.535 -21.769 1.00 24.25 H new ATOM 269 N LYS A 18 10.307 8.250 -17.976 1.00 2.43 N ATOM 270 CA LYS A 18 9.895 9.270 -17.018 1.00 22.52 C ATOM 271 C LYS A 18 8.976 8.677 -15.954 1.00 65.12 C ATOM 272 O LYS A 18 9.040 9.055 -14.785 1.00 4.11 O ATOM 273 CB LYS A 18 9.185 10.418 -17.738 1.00 1.22 C ATOM 274 CG LYS A 18 9.136 11.704 -16.931 1.00 32.13 C ATOM 275 CD LYS A 18 10.115 12.735 -17.465 1.00 3.52 C ATOM 276 CE LYS A 18 11.500 12.554 -16.861 1.00 53.34 C ATOM 277 NZ LYS A 18 12.025 13.824 -16.287 1.00 71.02 N ATOM 0 H LYS A 18 10.097 8.475 -18.948 1.00 2.43 H new ATOM 0 HA LYS A 18 10.789 9.655 -16.528 1.00 22.52 H new ATOM 0 HB2 LYS A 18 9.692 10.611 -18.684 1.00 1.22 H new ATOM 0 HB3 LYS A 18 8.167 10.111 -17.979 1.00 1.22 H new ATOM 0 HG2 LYS A 18 8.126 12.113 -16.957 1.00 32.13 H new ATOM 0 HG3 LYS A 18 9.366 11.489 -15.888 1.00 32.13 H new ATOM 0 HD2 LYS A 18 10.176 12.652 -18.550 1.00 3.52 H new ATOM 0 HD3 LYS A 18 9.748 13.737 -17.242 1.00 3.52 H new ATOM 0 HE2 LYS A 18 11.460 11.793 -16.082 1.00 53.34 H new ATOM 0 HE3 LYS A 18 12.186 12.191 -17.627 1.00 53.34 H new ATOM 0 HZ1 LYS A 18 12.970 13.659 -15.886 1.00 71.02 H new ATOM 0 HZ2 LYS A 18 12.088 14.543 -17.035 1.00 71.02 H new ATOM 0 HZ3 LYS A 18 11.384 14.158 -15.539 1.00 71.02 H new ATOM 291 N ALA A 19 8.124 7.745 -16.368 1.00 13.23 N ATOM 292 CA ALA A 19 7.195 7.098 -15.450 1.00 11.15 C ATOM 293 C ALA A 19 7.938 6.243 -14.429 1.00 61.20 C ATOM 294 O ALA A 19 7.644 6.289 -13.235 1.00 31.40 O ATOM 295 CB ALA A 19 6.193 6.252 -16.221 1.00 65.43 C ATOM 0 H ALA A 19 8.058 7.421 -17.333 1.00 13.23 H new ATOM 0 HA ALA A 19 6.656 7.876 -14.910 1.00 11.15 H new ATOM 0 HB1 ALA A 19 5.506 5.775 -15.522 1.00 65.43 H new ATOM 0 HB2 ALA A 19 5.631 6.887 -16.906 1.00 65.43 H new ATOM 0 HB3 ALA A 19 6.723 5.487 -16.788 1.00 65.43 H new ATOM 301 N ALA A 20 8.902 5.463 -14.907 1.00 72.44 N ATOM 302 CA ALA A 20 9.688 4.598 -14.036 1.00 73.11 C ATOM 303 C ALA A 20 10.333 5.396 -12.908 1.00 31.40 C ATOM 304 O ALA A 20 10.287 4.992 -11.746 1.00 50.32 O ATOM 305 CB ALA A 20 10.750 3.863 -14.840 1.00 41.54 C ATOM 0 H ALA A 20 9.157 5.412 -15.893 1.00 72.44 H new ATOM 0 HA ALA A 20 9.015 3.866 -13.589 1.00 73.11 H new ATOM 0 HB1 ALA A 20 11.329 3.221 -14.176 1.00 41.54 H new ATOM 0 HB2 ALA A 20 10.270 3.254 -15.606 1.00 41.54 H new ATOM 0 HB3 ALA A 20 11.413 4.587 -15.314 1.00 41.54 H new ATOM 311 N GLN A 21 10.934 6.528 -13.259 1.00 12.03 N ATOM 312 CA GLN A 21 11.590 7.381 -12.275 1.00 35.15 C ATOM 313 C GLN A 21 10.573 7.976 -11.306 1.00 74.20 C ATOM 314 O GLN A 21 10.895 8.273 -10.157 1.00 21.24 O ATOM 315 CB GLN A 21 12.362 8.501 -12.973 1.00 50.23 C ATOM 316 CG GLN A 21 13.870 8.311 -12.943 1.00 11.13 C ATOM 317 CD GLN A 21 14.594 9.229 -13.908 1.00 15.52 C ATOM 318 OE1 GLN A 21 15.295 8.772 -14.811 1.00 35.12 O ATOM 319 NE2 GLN A 21 14.427 10.534 -13.722 1.00 21.32 N ATOM 0 H GLN A 21 10.980 6.876 -14.217 1.00 12.03 H new ATOM 0 HA GLN A 21 12.289 6.766 -11.708 1.00 35.15 H new ATOM 0 HB2 GLN A 21 12.033 8.566 -14.010 1.00 50.23 H new ATOM 0 HB3 GLN A 21 12.114 9.451 -12.500 1.00 50.23 H new ATOM 0 HG2 GLN A 21 14.235 8.492 -11.932 1.00 11.13 H new ATOM 0 HG3 GLN A 21 14.107 7.275 -13.186 1.00 11.13 H new ATOM 0 HE21 GLN A 21 13.837 10.869 -12.961 1.00 21.32 H new ATOM 0 HE22 GLN A 21 14.889 11.201 -14.341 1.00 21.32 H new ATOM 328 N GLY A 22 9.342 8.148 -11.779 1.00 71.33 N ATOM 329 CA GLY A 22 8.297 8.707 -10.942 1.00 73.02 C ATOM 330 C GLY A 22 8.116 7.938 -9.649 1.00 31.42 C ATOM 331 O GLY A 22 7.713 8.504 -8.632 1.00 2.03 O ATOM 0 H GLY A 22 9.050 7.910 -12.727 1.00 71.33 H new ATOM 0 HA2 GLY A 22 8.536 9.746 -10.713 1.00 73.02 H new ATOM 0 HA3 GLY A 22 7.357 8.710 -11.494 1.00 73.02 H new ATOM 335 N LEU A 23 8.412 6.643 -9.686 1.00 1.20 N ATOM 336 CA LEU A 23 8.278 5.794 -8.508 1.00 25.44 C ATOM 337 C LEU A 23 9.380 6.090 -7.495 1.00 12.11 C ATOM 338 O LEU A 23 9.468 5.444 -6.450 1.00 15.40 O ATOM 339 CB LEU A 23 8.324 4.319 -8.910 1.00 71.44 C ATOM 340 CG LEU A 23 7.106 3.793 -9.671 1.00 30.43 C ATOM 341 CD1 LEU A 23 7.522 3.231 -11.021 1.00 73.43 C ATOM 342 CD2 LEU A 23 6.381 2.735 -8.851 1.00 64.10 C ATOM 0 H LEU A 23 8.746 6.159 -10.519 1.00 1.20 H new ATOM 0 HA LEU A 23 7.315 6.009 -8.044 1.00 25.44 H new ATOM 0 HB2 LEU A 23 9.209 4.158 -9.525 1.00 71.44 H new ATOM 0 HB3 LEU A 23 8.450 3.721 -8.008 1.00 71.44 H new ATOM 0 HG LEU A 23 6.422 4.624 -9.842 1.00 30.43 H new ATOM 0 HD11 LEU A 23 6.642 2.861 -11.548 1.00 73.43 H new ATOM 0 HD12 LEU A 23 7.996 4.015 -11.611 1.00 73.43 H new ATOM 0 HD13 LEU A 23 8.227 2.413 -10.873 1.00 73.43 H new ATOM 0 HD21 LEU A 23 5.517 2.372 -9.408 1.00 64.10 H new ATOM 0 HD22 LEU A 23 7.058 1.905 -8.649 1.00 64.10 H new ATOM 0 HD23 LEU A 23 6.048 3.170 -7.908 1.00 64.10 H new ATOM 354 N CYS A 24 10.218 7.072 -7.810 1.00 55.30 N ATOM 355 CA CYS A 24 11.313 7.457 -6.928 1.00 35.33 C ATOM 356 C CYS A 24 11.180 8.916 -6.501 1.00 25.11 C ATOM 357 O CYS A 24 11.217 9.231 -5.311 1.00 31.30 O ATOM 358 CB CYS A 24 12.657 7.237 -7.624 1.00 2.22 C ATOM 359 SG CYS A 24 13.760 6.073 -6.760 1.00 4.33 S ATOM 0 H CYS A 24 10.159 7.616 -8.671 1.00 55.30 H new ATOM 0 HA CYS A 24 11.267 6.831 -6.037 1.00 35.33 H new ATOM 0 HB2 CYS A 24 12.475 6.867 -8.633 1.00 2.22 H new ATOM 0 HB3 CYS A 24 13.164 8.197 -7.722 1.00 2.22 H new ATOM 364 N ILE A 25 11.027 9.801 -7.480 1.00 11.23 N ATOM 365 CA ILE A 25 10.888 11.226 -7.205 1.00 60.05 C ATOM 366 C ILE A 25 9.577 11.522 -6.485 1.00 70.11 C ATOM 367 O ILE A 25 9.552 12.245 -5.488 1.00 61.42 O ATOM 368 CB ILE A 25 10.948 12.057 -8.501 1.00 0.03 C ATOM 369 CG1 ILE A 25 12.276 11.821 -9.223 1.00 3.44 C ATOM 370 CG2 ILE A 25 10.762 13.535 -8.191 1.00 22.11 C ATOM 371 CD1 ILE A 25 12.202 10.753 -10.291 1.00 24.35 C ATOM 0 H ILE A 25 10.996 9.557 -8.470 1.00 11.23 H new ATOM 0 HA ILE A 25 11.723 11.507 -6.563 1.00 60.05 H new ATOM 0 HB ILE A 25 10.138 11.739 -9.157 1.00 0.03 H new ATOM 0 HG12 ILE A 25 12.604 12.756 -9.678 1.00 3.44 H new ATOM 0 HG13 ILE A 25 13.033 11.540 -8.491 1.00 3.44 H new ATOM 0 HG21 ILE A 25 10.807 14.109 -9.116 1.00 22.11 H new ATOM 0 HG22 ILE A 25 9.793 13.688 -7.716 1.00 22.11 H new ATOM 0 HG23 ILE A 25 11.553 13.868 -7.519 1.00 22.11 H new ATOM 0 HD11 ILE A 25 13.179 10.640 -10.761 1.00 24.35 H new ATOM 0 HD12 ILE A 25 11.904 9.807 -9.839 1.00 24.35 H new ATOM 0 HD13 ILE A 25 11.469 11.042 -11.044 1.00 24.35 H new ATOM 383 N THR A 26 8.487 10.957 -6.995 1.00 50.03 N ATOM 384 CA THR A 26 7.172 11.159 -6.401 1.00 13.20 C ATOM 385 C THR A 26 7.010 10.333 -5.130 1.00 73.02 C ATOM 386 O THR A 26 6.396 10.781 -4.161 1.00 64.44 O ATOM 387 CB THR A 26 6.047 10.790 -7.387 1.00 21.04 C ATOM 388 OG1 THR A 26 5.337 11.968 -7.783 1.00 15.42 O ATOM 389 CG2 THR A 26 5.081 9.797 -6.758 1.00 64.43 C ATOM 0 H THR A 26 8.490 10.356 -7.819 1.00 50.03 H new ATOM 0 HA THR A 26 7.096 12.218 -6.155 1.00 13.20 H new ATOM 0 HB THR A 26 6.500 10.327 -8.264 1.00 21.04 H new ATOM 0 HG1 THR A 26 4.625 11.725 -8.411 1.00 15.42 H new ATOM 0 HG21 THR A 26 4.295 9.551 -7.472 1.00 64.43 H new ATOM 0 HG22 THR A 26 5.619 8.890 -6.484 1.00 64.43 H new ATOM 0 HG23 THR A 26 4.635 10.238 -5.866 1.00 64.43 H new ATOM 397 N SER A 27 7.564 9.125 -5.141 1.00 21.04 N ATOM 398 CA SER A 27 7.478 8.235 -3.989 1.00 22.40 C ATOM 399 C SER A 27 8.127 8.869 -2.762 1.00 64.55 C ATOM 400 O SER A 27 7.724 8.609 -1.628 1.00 43.32 O ATOM 401 CB SER A 27 8.150 6.896 -4.301 1.00 41.13 C ATOM 402 OG SER A 27 7.589 5.851 -3.526 1.00 25.22 O ATOM 0 H SER A 27 8.077 8.740 -5.934 1.00 21.04 H new ATOM 0 HA SER A 27 6.424 8.063 -3.772 1.00 22.40 H new ATOM 0 HB2 SER A 27 8.038 6.667 -5.361 1.00 41.13 H new ATOM 0 HB3 SER A 27 9.219 6.967 -4.102 1.00 41.13 H new ATOM 0 HG SER A 27 7.070 5.256 -4.106 1.00 25.22 H new ATOM 408 N CYS A 28 9.136 9.701 -2.999 1.00 12.15 N ATOM 409 CA CYS A 28 9.843 10.373 -1.915 1.00 50.01 C ATOM 410 C CYS A 28 8.987 11.484 -1.314 1.00 2.23 C ATOM 411 O CYS A 28 8.921 11.640 -0.094 1.00 72.34 O ATOM 412 CB CYS A 28 11.166 10.951 -2.423 1.00 34.25 C ATOM 413 SG CYS A 28 12.628 10.384 -1.496 1.00 44.52 S ATOM 0 H CYS A 28 9.482 9.926 -3.932 1.00 12.15 H new ATOM 0 HA CYS A 28 10.050 9.637 -1.138 1.00 50.01 H new ATOM 0 HB2 CYS A 28 11.288 10.684 -3.473 1.00 34.25 H new ATOM 0 HB3 CYS A 28 11.118 12.039 -2.375 1.00 34.25 H new ATOM 418 N SER A 29 8.334 12.254 -2.178 1.00 72.11 N ATOM 419 CA SER A 29 7.485 13.353 -1.733 1.00 71.12 C ATOM 420 C SER A 29 6.417 12.856 -0.764 1.00 11.24 C ATOM 421 O SER A 29 6.000 13.579 0.141 1.00 55.25 O ATOM 422 CB SER A 29 6.824 14.033 -2.934 1.00 34.23 C ATOM 423 OG SER A 29 6.592 15.407 -2.678 1.00 12.14 O ATOM 0 H SER A 29 8.376 12.137 -3.190 1.00 72.11 H new ATOM 0 HA SER A 29 8.113 14.078 -1.214 1.00 71.12 H new ATOM 0 HB2 SER A 29 7.461 13.926 -3.812 1.00 34.23 H new ATOM 0 HB3 SER A 29 5.880 13.538 -3.162 1.00 34.23 H new ATOM 0 HG SER A 29 6.171 15.819 -3.461 1.00 12.14 H new ATOM 429 N MET A 30 5.979 11.617 -0.960 1.00 21.23 N ATOM 430 CA MET A 30 4.960 11.022 -0.102 1.00 64.13 C ATOM 431 C MET A 30 5.528 10.706 1.278 1.00 41.41 C ATOM 432 O MET A 30 4.780 10.487 2.230 1.00 22.42 O ATOM 433 CB MET A 30 4.406 9.748 -0.742 1.00 35.31 C ATOM 434 CG MET A 30 4.180 9.868 -2.240 1.00 41.44 C ATOM 435 SD MET A 30 2.588 9.201 -2.759 1.00 73.52 S ATOM 436 CE MET A 30 2.056 10.456 -3.921 1.00 2.13 C ATOM 0 H MET A 30 6.313 11.005 -1.705 1.00 21.23 H new ATOM 0 HA MET A 30 4.151 11.744 0.014 1.00 64.13 H new ATOM 0 HB2 MET A 30 5.096 8.926 -0.552 1.00 35.31 H new ATOM 0 HB3 MET A 30 3.463 9.490 -0.260 1.00 35.31 H new ATOM 0 HG2 MET A 30 4.242 10.917 -2.530 1.00 41.44 H new ATOM 0 HG3 MET A 30 4.978 9.344 -2.767 1.00 41.44 H new ATOM 0 HE1 MET A 30 1.387 10.010 -4.657 1.00 2.13 H new ATOM 0 HE2 MET A 30 1.532 11.248 -3.386 1.00 2.13 H new ATOM 0 HE3 MET A 30 2.925 10.875 -4.428 1.00 2.13 H new ATOM 446 N GLN A 31 6.853 10.686 1.377 1.00 23.42 N ATOM 447 CA GLN A 31 7.520 10.396 2.641 1.00 34.34 C ATOM 448 C GLN A 31 8.161 11.653 3.219 1.00 25.32 C ATOM 449 O GLN A 31 9.047 11.574 4.069 1.00 0.25 O ATOM 450 CB GLN A 31 8.580 9.311 2.446 1.00 21.21 C ATOM 451 CG GLN A 31 8.268 8.353 1.308 1.00 32.51 C ATOM 452 CD GLN A 31 8.598 6.913 1.650 1.00 31.00 C ATOM 453 OE1 GLN A 31 9.564 6.347 1.138 1.00 70.14 O ATOM 454 NE2 GLN A 31 7.795 6.312 2.521 1.00 43.04 N ATOM 0 H GLN A 31 7.486 10.867 0.598 1.00 23.42 H new ATOM 0 HA GLN A 31 6.769 10.037 3.345 1.00 34.34 H new ATOM 0 HB2 GLN A 31 9.543 9.785 2.257 1.00 21.21 H new ATOM 0 HB3 GLN A 31 8.681 8.743 3.371 1.00 21.21 H new ATOM 0 HG2 GLN A 31 7.211 8.429 1.054 1.00 32.51 H new ATOM 0 HG3 GLN A 31 8.831 8.650 0.423 1.00 32.51 H new ATOM 0 HE21 GLN A 31 7.006 6.819 2.921 1.00 43.04 H new ATOM 0 HE22 GLN A 31 7.968 5.343 2.790 1.00 43.04 H new ATOM 463 N ASN A 32 7.709 12.811 2.751 1.00 15.21 N ATOM 464 CA ASN A 32 8.240 14.086 3.221 1.00 73.41 C ATOM 465 C ASN A 32 9.706 14.242 2.828 1.00 34.01 C ATOM 466 O ASN A 32 10.519 14.739 3.608 1.00 41.05 O ATOM 467 CB ASN A 32 8.093 14.194 4.740 1.00 12.10 C ATOM 468 CG ASN A 32 7.676 15.583 5.183 1.00 43.41 C ATOM 469 OD1 ASN A 32 6.923 16.268 4.491 1.00 73.24 O ATOM 470 ND2 ASN A 32 8.167 16.007 6.342 1.00 31.40 N ATOM 0 H ASN A 32 6.976 12.894 2.046 1.00 15.21 H new ATOM 0 HA ASN A 32 7.669 14.886 2.750 1.00 73.41 H new ATOM 0 HB2 ASN A 32 7.355 13.469 5.083 1.00 12.10 H new ATOM 0 HB3 ASN A 32 9.040 13.933 5.213 1.00 12.10 H new ATOM 0 HD21 ASN A 32 7.923 16.934 6.691 1.00 31.40 H new ATOM 0 HD22 ASN A 32 8.788 15.406 6.883 1.00 31.40 H new ATOM 477 N CYS A 33 10.036 13.815 1.614 1.00 72.11 N ATOM 478 CA CYS A 33 11.403 13.907 1.116 1.00 71.11 C ATOM 479 C CYS A 33 11.530 15.018 0.077 1.00 32.33 C ATOM 480 O CYS A 33 10.591 15.779 -0.151 1.00 74.44 O ATOM 481 CB CYS A 33 11.837 12.572 0.507 1.00 40.20 C ATOM 482 SG CYS A 33 12.025 11.227 1.721 1.00 11.11 S ATOM 0 H CYS A 33 9.375 13.402 0.956 1.00 72.11 H new ATOM 0 HA CYS A 33 12.054 14.144 1.957 1.00 71.11 H new ATOM 0 HB2 CYS A 33 11.104 12.271 -0.242 1.00 40.20 H new ATOM 0 HB3 CYS A 33 12.785 12.713 -0.013 1.00 40.20 H new ATOM 487 N GLY A 34 12.699 15.104 -0.549 1.00 65.33 N ATOM 488 CA GLY A 34 12.928 16.124 -1.556 1.00 64.41 C ATOM 489 C GLY A 34 12.967 15.554 -2.960 1.00 70.22 C ATOM 490 O GLY A 34 12.191 15.960 -3.826 1.00 13.34 O ATOM 0 H GLY A 34 13.492 14.486 -0.377 1.00 65.33 H new ATOM 0 HA2 GLY A 34 12.140 16.875 -1.494 1.00 64.41 H new ATOM 0 HA3 GLY A 34 13.870 16.632 -1.347 1.00 64.41 H new ATOM 494 N THR A 35 13.875 14.610 -3.190 1.00 35.35 N ATOM 495 CA THR A 35 14.014 13.985 -4.499 1.00 14.21 C ATOM 496 C THR A 35 14.408 12.518 -4.369 1.00 43.54 C ATOM 497 O THR A 35 14.555 12.000 -3.263 1.00 53.33 O ATOM 498 CB THR A 35 15.063 14.713 -5.360 1.00 51.30 C ATOM 499 OG1 THR A 35 14.960 14.286 -6.723 1.00 23.12 O ATOM 500 CG2 THR A 35 16.468 14.444 -4.843 1.00 41.13 C ATOM 0 H THR A 35 14.525 14.262 -2.486 1.00 35.35 H new ATOM 0 HA THR A 35 13.042 14.055 -4.988 1.00 14.21 H new ATOM 0 HB THR A 35 14.870 15.784 -5.300 1.00 51.30 H new ATOM 0 HG1 THR A 35 15.629 14.755 -7.264 1.00 23.12 H new ATOM 0 HG21 THR A 35 17.192 14.968 -5.467 1.00 41.13 H new ATOM 0 HG22 THR A 35 16.551 14.797 -3.815 1.00 41.13 H new ATOM 0 HG23 THR A 35 16.669 13.373 -4.876 1.00 41.13 H new ATOM 508 N GLY A 36 14.580 11.854 -5.508 1.00 61.31 N ATOM 509 CA GLY A 36 14.957 10.452 -5.499 1.00 42.33 C ATOM 510 C GLY A 36 15.332 9.944 -6.877 1.00 52.03 C ATOM 511 O GLY A 36 14.588 10.133 -7.840 1.00 0.44 O ATOM 0 H GLY A 36 14.465 12.261 -6.436 1.00 61.31 H new ATOM 0 HA2 GLY A 36 15.799 10.310 -4.821 1.00 42.33 H new ATOM 0 HA3 GLY A 36 14.130 9.859 -5.109 1.00 42.33 H new ATOM 515 N SER A 37 16.489 9.298 -6.974 1.00 24.25 N ATOM 516 CA SER A 37 16.964 8.766 -8.245 1.00 63.53 C ATOM 517 C SER A 37 17.157 7.254 -8.164 1.00 10.33 C ATOM 518 O SER A 37 17.546 6.721 -7.124 1.00 42.41 O ATOM 519 CB SER A 37 18.279 9.438 -8.645 1.00 22.13 C ATOM 520 OG SER A 37 18.277 9.787 -10.018 1.00 70.11 O ATOM 0 H SER A 37 17.115 9.130 -6.187 1.00 24.25 H new ATOM 0 HA SER A 37 16.210 8.979 -9.003 1.00 63.53 H new ATOM 0 HB2 SER A 37 18.433 10.331 -8.040 1.00 22.13 H new ATOM 0 HB3 SER A 37 19.112 8.766 -8.439 1.00 22.13 H new ATOM 0 HG SER A 37 19.128 10.216 -10.248 1.00 70.11 H new ATOM 526 N CYS A 38 16.882 6.569 -9.268 1.00 74.41 N ATOM 527 CA CYS A 38 17.023 5.119 -9.324 1.00 63.20 C ATOM 528 C CYS A 38 18.160 4.719 -10.260 1.00 61.02 C ATOM 529 O CYS A 38 18.336 5.307 -11.328 1.00 24.33 O ATOM 530 CB CYS A 38 15.715 4.475 -9.788 1.00 43.13 C ATOM 531 SG CYS A 38 15.315 4.784 -11.538 1.00 55.43 S ATOM 0 H CYS A 38 16.560 6.995 -10.137 1.00 74.41 H new ATOM 0 HA CYS A 38 17.259 4.763 -8.321 1.00 63.20 H new ATOM 0 HB2 CYS A 38 15.774 3.399 -9.624 1.00 43.13 H new ATOM 0 HB3 CYS A 38 14.899 4.847 -9.169 1.00 43.13 H new ATOM 536 N LYS A 39 18.929 3.715 -9.853 1.00 21.02 N ATOM 537 CA LYS A 39 20.048 3.234 -10.654 1.00 63.11 C ATOM 538 C LYS A 39 20.145 1.713 -10.596 1.00 21.22 C ATOM 539 O LYS A 39 19.740 1.092 -9.613 1.00 30.40 O ATOM 540 CB LYS A 39 21.357 3.858 -10.165 1.00 65.04 C ATOM 541 CG LYS A 39 21.298 5.370 -10.032 1.00 30.22 C ATOM 542 CD LYS A 39 21.400 6.054 -11.385 1.00 20.41 C ATOM 543 CE LYS A 39 21.769 7.522 -11.241 1.00 3.01 C ATOM 544 NZ LYS A 39 23.092 7.824 -11.855 1.00 1.14 N ATOM 0 H LYS A 39 18.797 3.218 -8.972 1.00 21.02 H new ATOM 0 HA LYS A 39 19.875 3.530 -11.689 1.00 63.11 H new ATOM 0 HB2 LYS A 39 21.616 3.427 -9.198 1.00 65.04 H new ATOM 0 HB3 LYS A 39 22.157 3.594 -10.857 1.00 65.04 H new ATOM 0 HG2 LYS A 39 20.365 5.657 -9.548 1.00 30.22 H new ATOM 0 HG3 LYS A 39 22.109 5.711 -9.389 1.00 30.22 H new ATOM 0 HD2 LYS A 39 22.149 5.548 -11.994 1.00 20.41 H new ATOM 0 HD3 LYS A 39 20.449 5.967 -11.911 1.00 20.41 H new ATOM 0 HE2 LYS A 39 21.002 8.137 -11.711 1.00 3.01 H new ATOM 0 HE3 LYS A 39 21.789 7.789 -10.185 1.00 3.01 H new ATOM 0 HZ1 LYS A 39 23.307 8.834 -11.736 1.00 1.14 H new ATOM 0 HZ2 LYS A 39 23.828 7.256 -11.390 1.00 1.14 H new ATOM 0 HZ3 LYS A 39 23.065 7.593 -12.869 1.00 1.14 H new ATOM 558 N LYS A 40 20.686 1.118 -11.654 1.00 33.12 N ATOM 559 CA LYS A 40 20.839 -0.330 -11.723 1.00 31.43 C ATOM 560 C LYS A 40 21.966 -0.802 -10.810 1.00 21.42 C ATOM 561 O LYS A 40 23.138 -0.521 -11.059 1.00 64.23 O ATOM 562 CB LYS A 40 21.118 -0.766 -13.163 1.00 22.42 C ATOM 563 CG LYS A 40 19.903 -1.340 -13.871 1.00 62.21 C ATOM 564 CD LYS A 40 19.479 -2.667 -13.264 1.00 13.11 C ATOM 565 CE LYS A 40 18.586 -3.453 -14.212 1.00 31.35 C ATOM 566 NZ LYS A 40 19.275 -3.761 -15.495 1.00 72.24 N ATOM 0 H LYS A 40 21.026 1.617 -12.476 1.00 33.12 H new ATOM 0 HA LYS A 40 19.908 -0.785 -11.386 1.00 31.43 H new ATOM 0 HB2 LYS A 40 21.486 0.090 -13.728 1.00 22.42 H new ATOM 0 HB3 LYS A 40 21.913 -1.512 -13.160 1.00 22.42 H new ATOM 0 HG2 LYS A 40 19.077 -0.631 -13.811 1.00 62.21 H new ATOM 0 HG3 LYS A 40 20.128 -1.478 -14.928 1.00 62.21 H new ATOM 0 HD2 LYS A 40 20.363 -3.257 -13.022 1.00 13.11 H new ATOM 0 HD3 LYS A 40 18.950 -2.488 -12.328 1.00 13.11 H new ATOM 0 HE2 LYS A 40 18.277 -4.382 -13.733 1.00 31.35 H new ATOM 0 HE3 LYS A 40 17.680 -2.882 -14.414 1.00 31.35 H new ATOM 0 HZ1 LYS A 40 18.861 -4.618 -15.914 1.00 72.24 H new ATOM 0 HZ2 LYS A 40 19.158 -2.963 -16.152 1.00 72.24 H new ATOM 0 HZ3 LYS A 40 20.288 -3.917 -15.316 1.00 72.24 H new ATOM 580 N ARG A 41 21.603 -1.522 -9.753 1.00 5.11 N ATOM 581 CA ARG A 41 22.585 -2.033 -8.803 1.00 52.15 C ATOM 582 C ARG A 41 22.832 -3.522 -9.026 1.00 23.10 C ATOM 583 O ARG A 41 21.958 -4.351 -8.773 1.00 64.42 O ATOM 584 CB ARG A 41 22.111 -1.793 -7.369 1.00 2.51 C ATOM 585 CG ARG A 41 21.909 -0.324 -7.032 1.00 64.21 C ATOM 586 CD ARG A 41 23.226 0.437 -7.046 1.00 21.53 C ATOM 587 NE ARG A 41 24.147 -0.046 -6.020 1.00 43.41 N ATOM 588 CZ ARG A 41 24.045 0.269 -4.734 1.00 33.14 C ATOM 589 NH1 ARG A 41 23.066 1.061 -4.317 1.00 61.23 N ATOM 590 NH2 ARG A 41 24.922 -0.209 -3.860 1.00 71.44 N ATOM 0 H ARG A 41 20.637 -1.765 -9.533 1.00 5.11 H new ATOM 0 HA ARG A 41 23.521 -1.499 -8.963 1.00 52.15 H new ATOM 0 HB2 ARG A 41 21.173 -2.326 -7.211 1.00 2.51 H new ATOM 0 HB3 ARG A 41 22.839 -2.219 -6.679 1.00 2.51 H new ATOM 0 HG2 ARG A 41 21.221 0.124 -7.749 1.00 64.21 H new ATOM 0 HG3 ARG A 41 21.447 -0.235 -6.049 1.00 64.21 H new ATOM 0 HD2 ARG A 41 23.691 0.338 -8.027 1.00 21.53 H new ATOM 0 HD3 ARG A 41 23.033 1.498 -6.890 1.00 21.53 H new ATOM 0 HE ARG A 41 24.910 -0.659 -6.307 1.00 43.41 H new ATOM 0 HH11 ARG A 41 22.389 1.430 -4.985 1.00 61.23 H new ATOM 0 HH12 ARG A 41 22.990 1.301 -3.329 1.00 61.23 H new ATOM 0 HH21 ARG A 41 25.676 -0.819 -4.176 1.00 71.44 H new ATOM 0 HH22 ARG A 41 24.842 0.034 -2.873 1.00 71.44 H new ATOM 604 N SER A 42 24.029 -3.853 -9.501 1.00 73.40 N ATOM 605 CA SER A 42 24.390 -5.242 -9.762 1.00 12.12 C ATOM 606 C SER A 42 23.391 -5.893 -10.714 1.00 23.31 C ATOM 607 O SER A 42 23.110 -7.087 -10.615 1.00 44.03 O ATOM 608 CB SER A 42 24.451 -6.030 -8.452 1.00 3.32 C ATOM 609 OG SER A 42 25.636 -6.804 -8.378 1.00 33.24 O ATOM 0 H SER A 42 24.765 -3.179 -9.713 1.00 73.40 H new ATOM 0 HA SER A 42 25.374 -5.254 -10.231 1.00 12.12 H new ATOM 0 HB2 SER A 42 24.409 -5.342 -7.608 1.00 3.32 H new ATOM 0 HB3 SER A 42 23.581 -6.682 -8.375 1.00 3.32 H new ATOM 0 HG SER A 42 25.652 -7.297 -7.531 1.00 33.24 H new ATOM 615 N GLY A 43 22.858 -5.099 -11.637 1.00 11.52 N ATOM 616 CA GLY A 43 21.896 -5.614 -12.594 1.00 23.13 C ATOM 617 C GLY A 43 20.494 -5.689 -12.024 1.00 12.35 C ATOM 618 O GLY A 43 19.618 -6.339 -12.594 1.00 64.52 O ATOM 0 H GLY A 43 23.075 -4.108 -11.739 1.00 11.52 H new ATOM 0 HA2 GLY A 43 21.892 -4.977 -13.479 1.00 23.13 H new ATOM 0 HA3 GLY A 43 22.207 -6.607 -12.918 1.00 23.13 H new ATOM 622 N ARG A 44 20.280 -5.022 -10.894 1.00 32.22 N ATOM 623 CA ARG A 44 18.974 -5.018 -10.245 1.00 24.34 C ATOM 624 C ARG A 44 18.416 -3.601 -10.155 1.00 70.10 C ATOM 625 O ARG A 44 19.109 -2.658 -9.773 1.00 53.54 O ATOM 626 CB ARG A 44 19.075 -5.628 -8.845 1.00 44.40 C ATOM 627 CG ARG A 44 19.433 -7.105 -8.848 1.00 43.32 C ATOM 628 CD ARG A 44 18.231 -7.969 -9.195 1.00 12.43 C ATOM 629 NE ARG A 44 18.503 -8.860 -10.320 1.00 12.55 N ATOM 630 CZ ARG A 44 17.721 -9.880 -10.654 1.00 62.23 C ATOM 631 NH1 ARG A 44 16.625 -10.137 -9.954 1.00 71.34 N ATOM 632 NH2 ARG A 44 18.036 -10.646 -11.691 1.00 54.24 N ATOM 0 H ARG A 44 20.994 -4.478 -10.409 1.00 32.22 H new ATOM 0 HA ARG A 44 18.294 -5.620 -10.848 1.00 24.34 H new ATOM 0 HB2 ARG A 44 19.826 -5.082 -8.274 1.00 44.40 H new ATOM 0 HB3 ARG A 44 18.123 -5.495 -8.330 1.00 44.40 H new ATOM 0 HG2 ARG A 44 20.232 -7.285 -9.567 1.00 43.32 H new ATOM 0 HG3 ARG A 44 19.816 -7.390 -7.868 1.00 43.32 H new ATOM 0 HD2 ARG A 44 17.947 -8.561 -8.325 1.00 12.43 H new ATOM 0 HD3 ARG A 44 17.382 -7.329 -9.437 1.00 12.43 H new ATOM 0 HE ARG A 44 19.339 -8.690 -10.879 1.00 12.55 H new ATOM 0 HH11 ARG A 44 16.380 -9.550 -9.156 1.00 71.34 H new ATOM 0 HH12 ARG A 44 16.026 -10.921 -10.213 1.00 71.34 H new ATOM 0 HH21 ARG A 44 18.879 -10.451 -12.232 1.00 54.24 H new ATOM 0 HH22 ARG A 44 17.435 -11.429 -11.947 1.00 54.24 H new ATOM 646 N PRO A 45 17.133 -3.446 -10.515 1.00 63.44 N ATOM 647 CA PRO A 45 16.453 -2.148 -10.484 1.00 64.03 C ATOM 648 C PRO A 45 16.216 -1.652 -9.062 1.00 52.01 C ATOM 649 O PRO A 45 15.179 -1.932 -8.460 1.00 75.43 O ATOM 650 CB PRO A 45 15.120 -2.429 -11.182 1.00 44.25 C ATOM 651 CG PRO A 45 14.887 -3.886 -10.982 1.00 23.54 C ATOM 652 CD PRO A 45 16.248 -4.527 -10.980 1.00 73.14 C ATOM 0 HA PRO A 45 17.044 -1.367 -10.962 1.00 64.03 H new ATOM 0 HB2 PRO A 45 14.314 -1.836 -10.749 1.00 44.25 H new ATOM 0 HB3 PRO A 45 15.167 -2.178 -12.242 1.00 44.25 H new ATOM 0 HG2 PRO A 45 14.366 -4.073 -10.043 1.00 23.54 H new ATOM 0 HG3 PRO A 45 14.264 -4.294 -11.778 1.00 23.54 H new ATOM 0 HD2 PRO A 45 16.285 -5.390 -10.316 1.00 73.14 H new ATOM 0 HD3 PRO A 45 16.529 -4.877 -11.973 1.00 73.14 H new ATOM 660 N THR A 46 17.183 -0.912 -8.529 1.00 22.33 N ATOM 661 CA THR A 46 17.079 -0.378 -7.177 1.00 4.31 C ATOM 662 C THR A 46 16.708 1.101 -7.197 1.00 64.33 C ATOM 663 O THR A 46 17.309 1.892 -7.925 1.00 11.11 O ATOM 664 CB THR A 46 18.398 -0.554 -6.400 1.00 50.33 C ATOM 665 OG1 THR A 46 18.720 -1.945 -6.291 1.00 44.34 O ATOM 666 CG2 THR A 46 18.294 0.058 -5.011 1.00 51.25 C ATOM 0 H THR A 46 18.047 -0.669 -9.013 1.00 22.33 H new ATOM 0 HA THR A 46 16.292 -0.941 -6.675 1.00 4.31 H new ATOM 0 HB THR A 46 19.188 -0.040 -6.948 1.00 50.33 H new ATOM 0 HG1 THR A 46 19.560 -2.049 -5.798 1.00 44.34 H new ATOM 0 HG21 THR A 46 19.237 -0.079 -4.482 1.00 51.25 H new ATOM 0 HG22 THR A 46 18.078 1.123 -5.098 1.00 51.25 H new ATOM 0 HG23 THR A 46 17.493 -0.431 -4.457 1.00 51.25 H new ATOM 674 N CYS A 47 15.716 1.468 -6.394 1.00 32.02 N ATOM 675 CA CYS A 47 15.264 2.852 -6.319 1.00 2.11 C ATOM 676 C CYS A 47 15.849 3.550 -5.094 1.00 61.41 C ATOM 677 O CYS A 47 15.614 3.136 -3.959 1.00 32.51 O ATOM 678 CB CYS A 47 13.736 2.910 -6.271 1.00 41.12 C ATOM 679 SG CYS A 47 13.014 4.287 -7.220 1.00 43.51 S ATOM 0 H CYS A 47 15.209 0.826 -5.785 1.00 32.02 H new ATOM 0 HA CYS A 47 15.613 3.370 -7.212 1.00 2.11 H new ATOM 0 HB2 CYS A 47 13.335 1.971 -6.652 1.00 41.12 H new ATOM 0 HB3 CYS A 47 13.419 2.993 -5.232 1.00 41.12 H new ATOM 684 N VAL A 48 16.613 4.611 -5.333 1.00 14.22 N ATOM 685 CA VAL A 48 17.230 5.368 -4.250 1.00 64.42 C ATOM 686 C VAL A 48 16.593 6.745 -4.109 1.00 14.14 C ATOM 687 O VAL A 48 16.161 7.346 -5.093 1.00 64.02 O ATOM 688 CB VAL A 48 18.745 5.536 -4.476 1.00 33.21 C ATOM 689 CG1 VAL A 48 19.446 5.871 -3.168 1.00 54.43 C ATOM 690 CG2 VAL A 48 19.333 4.279 -5.098 1.00 60.43 C ATOM 0 H VAL A 48 16.820 4.966 -6.267 1.00 14.22 H new ATOM 0 HA VAL A 48 17.067 4.800 -3.334 1.00 64.42 H new ATOM 0 HB VAL A 48 18.902 6.364 -5.167 1.00 33.21 H new ATOM 0 HG11 VAL A 48 20.515 5.986 -3.347 1.00 54.43 H new ATOM 0 HG12 VAL A 48 19.043 6.801 -2.767 1.00 54.43 H new ATOM 0 HG13 VAL A 48 19.283 5.066 -2.451 1.00 54.43 H new ATOM 0 HG21 VAL A 48 20.404 4.415 -5.251 1.00 60.43 H new ATOM 0 HG22 VAL A 48 19.166 3.432 -4.433 1.00 60.43 H new ATOM 0 HG23 VAL A 48 18.851 4.088 -6.057 1.00 60.43 H new ATOM 700 N CYS A 49 16.536 7.241 -2.877 1.00 42.12 N ATOM 701 CA CYS A 49 15.951 8.548 -2.605 1.00 3.41 C ATOM 702 C CYS A 49 17.007 9.518 -2.081 1.00 14.03 C ATOM 703 O CYS A 49 18.101 9.110 -1.692 1.00 22.13 O ATOM 704 CB CYS A 49 14.813 8.420 -1.591 1.00 73.21 C ATOM 705 SG CYS A 49 13.161 8.759 -2.281 1.00 21.12 S ATOM 0 H CYS A 49 16.888 6.757 -2.051 1.00 42.12 H new ATOM 0 HA CYS A 49 15.553 8.942 -3.540 1.00 3.41 H new ATOM 0 HB2 CYS A 49 14.822 7.412 -1.176 1.00 73.21 H new ATOM 0 HB3 CYS A 49 14.998 9.106 -0.765 1.00 73.21 H new ATOM 710 N TYR A 50 16.670 10.803 -2.073 1.00 73.15 N ATOM 711 CA TYR A 50 17.588 11.831 -1.599 1.00 42.24 C ATOM 712 C TYR A 50 16.825 13.047 -1.081 1.00 61.54 C ATOM 713 O TYR A 50 15.603 13.126 -1.207 1.00 30.20 O ATOM 714 CB TYR A 50 18.539 12.252 -2.721 1.00 53.25 C ATOM 715 CG TYR A 50 19.440 11.137 -3.202 1.00 54.02 C ATOM 716 CD1 TYR A 50 20.672 10.906 -2.603 1.00 33.11 C ATOM 717 CD2 TYR A 50 19.059 10.315 -4.256 1.00 3.31 C ATOM 718 CE1 TYR A 50 21.499 9.889 -3.039 1.00 74.31 C ATOM 719 CE2 TYR A 50 19.879 9.295 -4.698 1.00 30.13 C ATOM 720 CZ TYR A 50 21.098 9.086 -4.086 1.00 74.33 C ATOM 721 OH TYR A 50 21.918 8.071 -4.524 1.00 55.14 O ATOM 0 H TYR A 50 15.767 11.157 -2.390 1.00 73.15 H new ATOM 0 HA TYR A 50 18.169 11.412 -0.777 1.00 42.24 H new ATOM 0 HB2 TYR A 50 17.953 12.623 -3.562 1.00 53.25 H new ATOM 0 HB3 TYR A 50 19.155 13.081 -2.372 1.00 53.25 H new ATOM 0 HD1 TYR A 50 20.989 11.532 -1.782 1.00 33.11 H new ATOM 0 HD2 TYR A 50 18.106 10.476 -4.738 1.00 3.31 H new ATOM 0 HE1 TYR A 50 22.454 9.724 -2.563 1.00 74.31 H new ATOM 0 HE2 TYR A 50 19.568 8.665 -5.518 1.00 30.13 H new ATOM 0 HH TYR A 50 21.487 7.600 -5.267 1.00 55.14 H new ATOM 731 N ARG A 51 17.556 13.992 -0.499 1.00 73.32 N ATOM 732 CA ARG A 51 16.949 15.203 0.039 1.00 42.42 C ATOM 733 C ARG A 51 15.780 14.864 0.958 1.00 32.13 C ATOM 734 O ARG A 51 14.836 15.643 1.093 1.00 32.04 O ATOM 735 CB ARG A 51 16.472 16.108 -1.098 1.00 53.44 C ATOM 736 CG ARG A 51 17.575 16.503 -2.067 1.00 74.21 C ATOM 737 CD ARG A 51 17.457 17.961 -2.482 1.00 35.01 C ATOM 738 NE ARG A 51 18.758 18.621 -2.539 1.00 62.12 N ATOM 739 CZ ARG A 51 19.475 18.927 -1.463 1.00 54.55 C ATOM 740 NH1 ARG A 51 19.018 18.635 -0.253 1.00 63.15 N ATOM 741 NH2 ARG A 51 20.650 19.528 -1.597 1.00 24.31 N ATOM 0 H ARG A 51 18.569 13.942 -0.388 1.00 73.32 H new ATOM 0 HA ARG A 51 17.705 15.730 0.621 1.00 42.42 H new ATOM 0 HB2 ARG A 51 15.681 15.599 -1.649 1.00 53.44 H new ATOM 0 HB3 ARG A 51 16.033 17.011 -0.673 1.00 53.44 H new ATOM 0 HG2 ARG A 51 18.546 16.333 -1.603 1.00 74.21 H new ATOM 0 HG3 ARG A 51 17.529 15.867 -2.951 1.00 74.21 H new ATOM 0 HD2 ARG A 51 16.977 18.022 -3.458 1.00 35.01 H new ATOM 0 HD3 ARG A 51 16.814 18.488 -1.777 1.00 35.01 H new ATOM 0 HE ARG A 51 19.137 18.860 -3.455 1.00 62.12 H new ATOM 0 HH11 ARG A 51 18.114 18.174 -0.147 1.00 63.15 H new ATOM 0 HH12 ARG A 51 19.570 18.871 0.571 1.00 63.15 H new ATOM 0 HH21 ARG A 51 21.003 19.755 -2.526 1.00 24.31 H new ATOM 0 HH22 ARG A 51 21.200 19.763 -0.771 1.00 24.31 H new ATOM 755 N CYS A 52 15.849 13.696 1.588 1.00 31.11 N ATOM 756 CA CYS A 52 14.797 13.252 2.494 1.00 34.31 C ATOM 757 C CYS A 52 14.823 14.052 3.793 1.00 42.41 C ATOM 758 O CYS A 52 15.710 14.879 4.007 1.00 72.53 O ATOM 759 CB CYS A 52 14.953 11.760 2.798 1.00 14.42 C ATOM 760 SG CYS A 52 13.374 10.861 2.940 1.00 5.50 S ATOM 0 H CYS A 52 16.623 13.040 1.487 1.00 31.11 H new ATOM 0 HA CYS A 52 13.837 13.419 2.005 1.00 34.31 H new ATOM 0 HB2 CYS A 52 15.551 11.300 2.011 1.00 14.42 H new ATOM 0 HB3 CYS A 52 15.509 11.646 3.729 1.00 14.42 H new ATOM 765 N ALA A 53 13.845 13.801 4.657 1.00 70.24 N ATOM 766 CA ALA A 53 13.757 14.496 5.935 1.00 61.21 C ATOM 767 C ALA A 53 14.148 13.577 7.087 1.00 22.13 C ATOM 768 O ALA A 53 14.676 14.029 8.102 1.00 13.24 O ATOM 769 CB ALA A 53 12.352 15.040 6.144 1.00 34.45 C ATOM 0 H ALA A 53 13.102 13.121 4.495 1.00 70.24 H new ATOM 0 HA ALA A 53 14.458 15.330 5.916 1.00 61.21 H new ATOM 0 HB1 ALA A 53 12.301 15.557 7.102 1.00 34.45 H new ATOM 0 HB2 ALA A 53 12.109 15.737 5.342 1.00 34.45 H new ATOM 0 HB3 ALA A 53 11.638 14.216 6.137 1.00 34.45 H new ATOM 775 N ASN A 54 13.885 12.285 6.923 1.00 30.51 N ATOM 776 CA ASN A 54 14.209 11.302 7.951 1.00 34.11 C ATOM 777 C ASN A 54 15.601 10.720 7.728 1.00 70.41 C ATOM 778 O ASN A 54 15.931 9.654 8.248 1.00 55.50 O ATOM 779 CB ASN A 54 13.169 10.179 7.958 1.00 1.32 C ATOM 780 CG ASN A 54 11.811 10.652 8.440 1.00 70.13 C ATOM 781 OD1 ASN A 54 10.924 10.947 7.638 1.00 30.44 O ATOM 782 ND2 ASN A 54 11.643 10.727 9.755 1.00 73.52 N ATOM 0 H ASN A 54 13.448 11.894 6.088 1.00 30.51 H new ATOM 0 HA ASN A 54 14.196 11.806 8.917 1.00 34.11 H new ATOM 0 HB2 ASN A 54 13.072 9.771 6.952 1.00 1.32 H new ATOM 0 HB3 ASN A 54 13.517 9.369 8.599 1.00 1.32 H new ATOM 0 HD21 ASN A 54 10.751 11.039 10.138 1.00 73.52 H new ATOM 0 HD22 ASN A 54 12.406 10.472 10.382 1.00 73.52 H new ATOM 789 N GLY A 55 16.415 11.427 6.950 1.00 1.35 N ATOM 790 CA GLY A 55 17.762 10.966 6.672 1.00 25.43 C ATOM 791 C GLY A 55 18.525 11.914 5.769 1.00 44.00 C ATOM 792 O GLY A 55 19.747 12.027 5.866 1.00 54.22 O ATOM 0 H GLY A 55 16.165 12.311 6.507 1.00 1.35 H new ATOM 0 HA2 GLY A 55 18.303 10.849 7.611 1.00 25.43 H new ATOM 0 HA3 GLY A 55 17.717 9.982 6.205 1.00 25.43 H new ATOM 796 N GLY A 56 17.804 12.597 4.886 1.00 55.14 N ATOM 797 CA GLY A 56 18.437 13.530 3.973 1.00 44.25 C ATOM 798 C GLY A 56 19.495 12.870 3.110 1.00 75.20 C ATOM 799 O GLY A 56 20.669 13.229 3.172 1.00 44.24 O ATOM 0 H GLY A 56 16.792 12.521 4.787 1.00 55.14 H new ATOM 0 HA2 GLY A 56 17.678 13.978 3.332 1.00 44.25 H new ATOM 0 HA3 GLY A 56 18.891 14.340 4.543 1.00 44.25 H new ATOM 803 N GLY A 57 19.077 11.899 2.304 1.00 75.35 N ATOM 804 CA GLY A 57 20.009 11.201 1.438 1.00 71.32 C ATOM 805 C GLY A 57 19.470 9.866 0.961 1.00 11.52 C ATOM 806 O GLY A 57 18.270 9.721 0.729 1.00 15.41 O ATOM 0 H GLY A 57 18.110 11.583 2.235 1.00 75.35 H new ATOM 0 HA2 GLY A 57 20.236 11.827 0.575 1.00 71.32 H new ATOM 0 HA3 GLY A 57 20.946 11.041 1.972 1.00 71.32 H new ATOM 810 N ASP A 58 20.358 8.890 0.813 1.00 4.13 N ATOM 811 CA ASP A 58 19.965 7.561 0.360 1.00 25.24 C ATOM 812 C ASP A 58 19.022 6.902 1.362 1.00 1.22 C ATOM 813 O ASP A 58 19.454 6.413 2.407 1.00 75.15 O ATOM 814 CB ASP A 58 21.201 6.684 0.152 1.00 60.21 C ATOM 815 CG ASP A 58 22.161 6.747 1.324 1.00 54.31 C ATOM 816 OD1 ASP A 58 23.017 7.656 1.341 1.00 0.34 O ATOM 817 OD2 ASP A 58 22.055 5.889 2.224 1.00 35.41 O ATOM 0 H ASP A 58 21.355 8.994 1.000 1.00 4.13 H new ATOM 0 HA ASP A 58 19.440 7.668 -0.589 1.00 25.24 H new ATOM 0 HB2 ASP A 58 20.888 5.651 -0.002 1.00 60.21 H new ATOM 0 HB3 ASP A 58 21.718 6.999 -0.754 1.00 60.21 H new ATOM 822 N ILE A 59 17.734 6.895 1.037 1.00 32.22 N ATOM 823 CA ILE A 59 16.730 6.296 1.909 1.00 41.54 C ATOM 824 C ILE A 59 15.733 5.464 1.109 1.00 44.41 C ATOM 825 O ILE A 59 14.912 5.989 0.356 1.00 31.55 O ATOM 826 CB ILE A 59 15.964 7.370 2.705 1.00 71.55 C ATOM 827 CG1 ILE A 59 16.936 8.404 3.275 1.00 44.23 C ATOM 828 CG2 ILE A 59 15.154 6.725 3.820 1.00 64.44 C ATOM 829 CD1 ILE A 59 17.638 7.945 4.534 1.00 74.22 C ATOM 0 H ILE A 59 17.361 7.297 0.177 1.00 32.22 H new ATOM 0 HA ILE A 59 17.262 5.649 2.606 1.00 41.54 H new ATOM 0 HB ILE A 59 15.276 7.880 2.030 1.00 71.55 H new ATOM 0 HG12 ILE A 59 17.684 8.643 2.519 1.00 44.23 H new ATOM 0 HG13 ILE A 59 16.391 9.324 3.487 1.00 44.23 H new ATOM 0 HG21 ILE A 59 14.618 7.496 4.374 1.00 64.44 H new ATOM 0 HG22 ILE A 59 14.439 6.023 3.391 1.00 64.44 H new ATOM 0 HG23 ILE A 59 15.824 6.193 4.495 1.00 64.44 H new ATOM 0 HD11 ILE A 59 18.311 8.729 4.881 1.00 74.22 H new ATOM 0 HD12 ILE A 59 16.899 7.733 5.306 1.00 74.22 H new ATOM 0 HD13 ILE A 59 18.211 7.042 4.323 1.00 74.22 H new ATOM 841 N PRO A 60 15.804 4.135 1.275 1.00 4.32 N ATOM 842 CA PRO A 60 14.914 3.202 0.579 1.00 70.20 C ATOM 843 C PRO A 60 13.477 3.287 1.082 1.00 21.44 C ATOM 844 O PRO A 60 13.235 3.596 2.250 1.00 54.23 O ATOM 845 CB PRO A 60 15.514 1.831 0.903 1.00 50.35 C ATOM 846 CG PRO A 60 16.242 2.030 2.187 1.00 34.02 C ATOM 847 CD PRO A 60 16.759 3.442 2.156 1.00 31.40 C ATOM 0 HA PRO A 60 14.854 3.415 -0.488 1.00 70.20 H new ATOM 0 HB2 PRO A 60 14.738 1.072 1.002 1.00 50.35 H new ATOM 0 HB3 PRO A 60 16.187 1.497 0.114 1.00 50.35 H new ATOM 0 HG2 PRO A 60 15.580 1.876 3.039 1.00 34.02 H new ATOM 0 HG3 PRO A 60 17.060 1.317 2.286 1.00 34.02 H new ATOM 0 HD2 PRO A 60 16.781 3.884 3.152 1.00 31.40 H new ATOM 0 HD3 PRO A 60 17.775 3.490 1.764 1.00 31.40 H new ATOM 855 N LEU A 61 12.527 3.009 0.196 1.00 44.52 N ATOM 856 CA LEU A 61 11.113 3.054 0.551 1.00 61.13 C ATOM 857 C LEU A 61 10.840 2.228 1.804 1.00 51.22 C ATOM 858 O LEU A 61 9.841 2.436 2.491 1.00 52.01 O ATOM 859 CB LEU A 61 10.260 2.539 -0.609 1.00 74.44 C ATOM 860 CG LEU A 61 9.332 3.562 -1.267 1.00 22.55 C ATOM 861 CD1 LEU A 61 10.103 4.818 -1.641 1.00 22.20 C ATOM 862 CD2 LEU A 61 8.659 2.961 -2.492 1.00 42.33 C ATOM 0 H LEU A 61 12.710 2.750 -0.773 1.00 44.52 H new ATOM 0 HA LEU A 61 10.848 4.091 0.757 1.00 61.13 H new ATOM 0 HB2 LEU A 61 10.926 2.138 -1.373 1.00 74.44 H new ATOM 0 HB3 LEU A 61 9.654 1.709 -0.247 1.00 74.44 H new ATOM 0 HG LEU A 61 8.558 3.836 -0.551 1.00 22.55 H new ATOM 0 HD11 LEU A 61 9.427 5.534 -2.108 1.00 22.20 H new ATOM 0 HD12 LEU A 61 10.536 5.260 -0.744 1.00 22.20 H new ATOM 0 HD13 LEU A 61 10.899 4.562 -2.340 1.00 22.20 H new ATOM 0 HD21 LEU A 61 8.003 3.703 -2.947 1.00 42.33 H new ATOM 0 HD22 LEU A 61 9.419 2.658 -3.212 1.00 42.33 H new ATOM 0 HD23 LEU A 61 8.073 2.091 -2.195 1.00 42.33 H new ATOM 874 N GLY A 62 11.737 1.291 2.096 1.00 10.45 N ATOM 875 CA GLY A 62 11.576 0.450 3.268 1.00 53.01 C ATOM 876 C GLY A 62 12.051 1.127 4.538 1.00 44.01 C ATOM 877 O GLY A 62 11.493 0.908 5.612 1.00 21.15 O ATOM 0 H GLY A 62 12.572 1.099 1.542 1.00 10.45 H new ATOM 0 HA2 GLY A 62 10.526 0.179 3.375 1.00 53.01 H new ATOM 0 HA3 GLY A 62 12.131 -0.477 3.125 1.00 53.01 H new ATOM 881 N ALA A 63 13.087 1.951 4.415 1.00 31.13 N ATOM 882 CA ALA A 63 13.637 2.662 5.562 1.00 4.14 C ATOM 883 C ALA A 63 12.799 3.890 5.901 1.00 40.12 C ATOM 884 O ALA A 63 12.811 4.369 7.035 1.00 3.54 O ATOM 885 CB ALA A 63 15.080 3.064 5.292 1.00 72.50 C ATOM 0 H ALA A 63 13.562 2.142 3.533 1.00 31.13 H new ATOM 0 HA ALA A 63 13.613 1.990 6.420 1.00 4.14 H new ATOM 0 HB1 ALA A 63 15.478 3.594 6.157 1.00 72.50 H new ATOM 0 HB2 ALA A 63 15.678 2.172 5.107 1.00 72.50 H new ATOM 0 HB3 ALA A 63 15.119 3.715 4.418 1.00 72.50 H new ATOM 891 N LEU A 64 12.072 4.396 4.910 1.00 23.34 N ATOM 892 CA LEU A 64 11.228 5.569 5.103 1.00 13.41 C ATOM 893 C LEU A 64 9.898 5.184 5.744 1.00 41.32 C ATOM 894 O LEU A 64 9.036 6.035 5.968 1.00 65.02 O ATOM 895 CB LEU A 64 10.979 6.268 3.765 1.00 13.23 C ATOM 896 CG LEU A 64 11.735 7.578 3.541 1.00 11.24 C ATOM 897 CD1 LEU A 64 11.819 7.899 2.057 1.00 1.03 C ATOM 898 CD2 LEU A 64 11.065 8.716 4.298 1.00 44.42 C ATOM 0 H LEU A 64 12.051 4.012 3.965 1.00 23.34 H new ATOM 0 HA LEU A 64 11.748 6.254 5.773 1.00 13.41 H new ATOM 0 HB2 LEU A 64 11.242 5.578 2.963 1.00 13.23 H new ATOM 0 HB3 LEU A 64 9.911 6.468 3.676 1.00 13.23 H new ATOM 0 HG LEU A 64 12.749 7.460 3.924 1.00 11.24 H new ATOM 0 HD11 LEU A 64 12.360 8.835 1.917 1.00 1.03 H new ATOM 0 HD12 LEU A 64 12.344 7.095 1.540 1.00 1.03 H new ATOM 0 HD13 LEU A 64 10.813 7.997 1.648 1.00 1.03 H new ATOM 0 HD21 LEU A 64 11.616 9.641 4.127 1.00 44.42 H new ATOM 0 HD22 LEU A 64 10.040 8.834 3.945 1.00 44.42 H new ATOM 0 HD23 LEU A 64 11.058 8.489 5.364 1.00 44.42 H new ATOM 910 N ILE A 65 9.740 3.898 6.038 1.00 55.31 N ATOM 911 CA ILE A 65 8.516 3.402 6.656 1.00 25.30 C ATOM 912 C ILE A 65 8.517 3.657 8.159 1.00 25.14 C ATOM 913 O ILE A 65 9.543 3.509 8.825 1.00 34.31 O ATOM 914 CB ILE A 65 8.330 1.894 6.403 1.00 53.03 C ATOM 915 CG1 ILE A 65 8.561 1.570 4.925 1.00 12.52 C ATOM 916 CG2 ILE A 65 6.940 1.452 6.836 1.00 11.32 C ATOM 917 CD1 ILE A 65 8.271 0.129 4.570 1.00 65.10 C ATOM 0 H ILE A 65 10.443 3.181 5.859 1.00 55.31 H new ATOM 0 HA ILE A 65 7.689 3.944 6.198 1.00 25.30 H new ATOM 0 HB ILE A 65 9.065 1.348 6.995 1.00 53.03 H new ATOM 0 HG12 ILE A 65 7.932 2.219 4.316 1.00 12.52 H new ATOM 0 HG13 ILE A 65 9.596 1.798 4.669 1.00 12.52 H new ATOM 0 HG21 ILE A 65 6.824 0.384 6.651 1.00 11.32 H new ATOM 0 HG22 ILE A 65 6.809 1.652 7.899 1.00 11.32 H new ATOM 0 HG23 ILE A 65 6.190 2.002 6.268 1.00 11.32 H new ATOM 0 HD11 ILE A 65 8.456 -0.028 3.507 1.00 65.10 H new ATOM 0 HD12 ILE A 65 8.919 -0.527 5.152 1.00 65.10 H new ATOM 0 HD13 ILE A 65 7.229 -0.098 4.794 1.00 65.10 H new ATOM 929 N LYS A 66 7.361 4.040 8.690 1.00 71.13 N ATOM 930 CA LYS A 66 7.226 4.313 10.115 1.00 14.15 C ATOM 931 C LYS A 66 7.051 3.019 10.903 1.00 22.43 C ATOM 932 O LYS A 66 6.897 3.040 12.125 1.00 53.35 O ATOM 933 CB LYS A 66 6.034 5.240 10.367 1.00 3.22 C ATOM 934 CG LYS A 66 5.966 6.416 9.409 1.00 52.43 C ATOM 935 CD LYS A 66 7.134 7.367 9.608 1.00 1.34 C ATOM 936 CE LYS A 66 8.013 7.439 8.369 1.00 32.30 C ATOM 937 NZ LYS A 66 9.217 8.286 8.591 1.00 50.31 N ATOM 0 H LYS A 66 6.503 4.168 8.154 1.00 71.13 H new ATOM 0 HA LYS A 66 8.139 4.804 10.453 1.00 14.15 H new ATOM 0 HB2 LYS A 66 5.113 4.663 10.287 1.00 3.22 H new ATOM 0 HB3 LYS A 66 6.087 5.617 11.388 1.00 3.22 H new ATOM 0 HG2 LYS A 66 5.965 6.050 8.382 1.00 52.43 H new ATOM 0 HG3 LYS A 66 5.029 6.953 9.557 1.00 52.43 H new ATOM 0 HD2 LYS A 66 6.758 8.362 9.846 1.00 1.34 H new ATOM 0 HD3 LYS A 66 7.730 7.039 10.460 1.00 1.34 H new ATOM 0 HE2 LYS A 66 8.324 6.433 8.085 1.00 32.30 H new ATOM 0 HE3 LYS A 66 7.435 7.841 7.537 1.00 32.30 H new ATOM 0 HZ1 LYS A 66 9.790 8.309 7.723 1.00 50.31 H new ATOM 0 HZ2 LYS A 66 8.921 9.252 8.837 1.00 50.31 H new ATOM 0 HZ3 LYS A 66 9.782 7.889 9.368 1.00 50.31 H new ATOM 951 N ARG A 67 7.078 1.893 10.197 1.00 3.11 N ATOM 952 CA ARG A 67 6.923 0.589 10.831 1.00 5.41 C ATOM 953 C ARG A 67 8.280 -0.075 11.046 1.00 2.15 C ATOM 954 O ARG A 67 8.359 -1.215 11.501 1.00 62.53 O ATOM 955 CB ARG A 67 6.031 -0.314 9.978 1.00 42.34 C ATOM 956 CG ARG A 67 5.503 -1.528 10.723 1.00 32.13 C ATOM 957 CD ARG A 67 6.243 -2.794 10.321 1.00 31.22 C ATOM 958 NE ARG A 67 5.550 -3.519 9.259 1.00 25.11 N ATOM 959 CZ ARG A 67 4.455 -4.244 9.457 1.00 1.24 C ATOM 960 NH1 ARG A 67 3.930 -4.339 10.671 1.00 20.41 N ATOM 961 NH2 ARG A 67 3.882 -4.875 8.440 1.00 3.51 N ATOM 0 H ARG A 67 7.206 1.858 9.186 1.00 3.11 H new ATOM 0 HA ARG A 67 6.453 0.739 11.803 1.00 5.41 H new ATOM 0 HB2 ARG A 67 5.188 0.269 9.607 1.00 42.34 H new ATOM 0 HB3 ARG A 67 6.595 -0.649 9.107 1.00 42.34 H new ATOM 0 HG2 ARG A 67 5.606 -1.370 11.797 1.00 32.13 H new ATOM 0 HG3 ARG A 67 4.439 -1.647 10.519 1.00 32.13 H new ATOM 0 HD2 ARG A 67 7.248 -2.536 9.988 1.00 31.22 H new ATOM 0 HD3 ARG A 67 6.352 -3.442 11.191 1.00 31.22 H new ATOM 0 HE ARG A 67 5.928 -3.465 8.313 1.00 25.11 H new ATOM 0 HH11 ARG A 67 4.367 -3.855 11.455 1.00 20.41 H new ATOM 0 HH12 ARG A 67 3.089 -4.896 10.821 1.00 20.41 H new ATOM 0 HH21 ARG A 67 4.283 -4.804 7.505 1.00 3.51 H new ATOM 0 HH22 ARG A 67 3.041 -5.431 8.594 1.00 3.51 H new ATOM 975 N GLY A 68 9.346 0.648 10.716 1.00 25.42 N ATOM 976 CA GLY A 68 10.685 0.112 10.880 1.00 62.21 C ATOM 977 C GLY A 68 11.055 -0.869 9.785 1.00 31.32 C ATOM 978 O GLY A 68 11.991 -0.634 9.022 1.00 41.35 O ATOM 0 H GLY A 68 9.306 1.595 10.338 1.00 25.42 H new ATOM 0 HA2 GLY A 68 11.403 0.932 10.887 1.00 62.21 H new ATOM 0 HA3 GLY A 68 10.759 -0.384 11.848 1.00 62.21 H new TER 982 GLY A 68