USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 389 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00667 USER MOD Single : A 32 THR OG1 : rot 98:sc= 0.0588 USER MOD Single : A 38 THR OG1 : rot 179:sc= 1.2 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.347 (180deg=-1.42!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.244 (180deg=-1) USER MOD Single : A 52 ASN : amide:sc= -1.33 K(o=-1.3,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.0248 (180deg=-0.192) USER MOD Single : A 56 SER OG : rot 180:sc= -1.71 USER MOD Single : A 59 SER OG : rot 164:sc= 0.964 USER MOD ----------------------------------------------------------------- ATOM 82 N PHE A 7 9.492 -9.395 2.570 1.00 12.34 N ATOM 83 CA PHE A 7 8.446 -9.149 1.581 1.00 72.33 C ATOM 84 C PHE A 7 7.158 -8.691 2.259 1.00 64.42 C ATOM 85 O PHE A 7 7.072 -8.656 3.486 1.00 12.34 O ATOM 86 CB PHE A 7 8.177 -10.409 0.747 1.00 10.32 C ATOM 87 CG PHE A 7 9.293 -11.417 0.779 1.00 63.12 C ATOM 88 CD1 PHE A 7 10.593 -11.041 0.482 1.00 14.34 C ATOM 89 CD2 PHE A 7 9.039 -12.739 1.107 1.00 51.23 C ATOM 90 CE1 PHE A 7 11.620 -11.966 0.511 1.00 1.23 C ATOM 91 CE2 PHE A 7 10.061 -13.668 1.138 1.00 21.01 C ATOM 92 CZ PHE A 7 11.353 -13.281 0.839 1.00 33.20 C ATOM 0 HA PHE A 7 8.794 -8.358 0.917 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.264 -10.882 1.108 1.00 10.32 H new ATOM 0 HB3 PHE A 7 7.997 -10.115 -0.287 1.00 10.32 H new ATOM 0 HD1 PHE A 7 10.806 -10.014 0.225 1.00 14.34 H new ATOM 0 HD2 PHE A 7 8.031 -13.047 1.341 1.00 51.23 H new ATOM 0 HE1 PHE A 7 12.629 -11.661 0.278 1.00 1.23 H new ATOM 0 HE2 PHE A 7 9.850 -14.695 1.396 1.00 21.01 H new ATOM 0 HZ PHE A 7 12.153 -14.006 0.862 1.00 33.20 H new ATOM 102 N PRO A 8 6.133 -8.335 1.466 1.00 43.45 N ATOM 103 CA PRO A 8 4.848 -7.881 1.989 1.00 73.54 C ATOM 104 C PRO A 8 3.907 -9.044 2.281 1.00 53.23 C ATOM 105 O PRO A 8 4.325 -10.201 2.301 1.00 60.40 O ATOM 106 CB PRO A 8 4.310 -7.038 0.838 1.00 63.11 C ATOM 107 CG PRO A 8 4.814 -7.729 -0.384 1.00 22.45 C ATOM 108 CD PRO A 8 6.141 -8.347 -0.012 1.00 2.34 C ATOM 0 HA PRO A 8 4.940 -7.346 2.934 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.221 -6.994 0.851 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.671 -6.011 0.893 1.00 63.11 H new ATOM 0 HG2 PRO A 8 4.110 -8.492 -0.716 1.00 22.45 H new ATOM 0 HG3 PRO A 8 4.932 -7.024 -1.207 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.234 -9.360 -0.403 1.00 2.34 H new ATOM 0 HD3 PRO A 8 6.976 -7.772 -0.412 1.00 2.34 H new ATOM 116 N CYS A 9 2.634 -8.734 2.499 1.00 73.50 N ATOM 117 CA CYS A 9 1.641 -9.762 2.777 1.00 71.31 C ATOM 118 C CYS A 9 0.755 -10.001 1.558 1.00 50.22 C ATOM 119 O CYS A 9 0.225 -11.094 1.371 1.00 63.45 O ATOM 120 CB CYS A 9 0.784 -9.375 3.989 1.00 35.35 C ATOM 121 SG CYS A 9 -0.379 -8.003 3.692 1.00 61.45 S ATOM 0 H CYS A 9 2.267 -7.782 2.488 1.00 73.50 H new ATOM 0 HA CYS A 9 2.169 -10.687 3.008 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.219 -10.249 4.311 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.445 -9.102 4.812 1.00 35.35 H new ATOM 126 N TRP A 10 0.599 -8.970 0.731 1.00 35.33 N ATOM 127 CA TRP A 10 -0.224 -9.073 -0.467 1.00 21.04 C ATOM 128 C TRP A 10 0.437 -9.957 -1.517 1.00 44.23 C ATOM 129 O TRP A 10 -0.222 -10.443 -2.436 1.00 71.43 O ATOM 130 CB TRP A 10 -0.491 -7.683 -1.046 1.00 52.13 C ATOM 131 CG TRP A 10 0.743 -6.853 -1.226 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.294 -5.989 -0.324 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.575 -6.803 -2.388 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.418 -5.405 -0.856 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.612 -5.890 -2.123 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.544 -7.444 -3.627 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.608 -5.602 -3.053 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.532 -7.159 -4.551 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.551 -6.245 -4.259 1.00 22.11 C ATOM 0 H TRP A 10 1.031 -8.057 0.870 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.171 -9.532 -0.185 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -0.988 -7.791 -2.010 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.181 -7.153 -0.389 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.903 -5.793 0.664 1.00 32.30 H new ATOM 0 HE1 TRP A 10 3.011 -4.722 -0.385 1.00 32.22 H new ATOM 0 HE3 TRP A 10 0.761 -8.151 -3.860 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.396 -4.897 -2.830 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.517 -7.649 -5.513 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.309 -6.043 -5.002 1.00 22.11 H new ATOM 150 N LEU A 11 1.742 -10.166 -1.379 1.00 50.21 N ATOM 151 CA LEU A 11 2.484 -10.994 -2.320 1.00 53.45 C ATOM 152 C LEU A 11 2.311 -12.478 -2.004 1.00 25.11 C ATOM 153 O LEU A 11 2.531 -13.332 -2.863 1.00 5.44 O ATOM 154 CB LEU A 11 3.966 -10.615 -2.300 1.00 42.15 C ATOM 155 CG LEU A 11 4.331 -9.421 -3.182 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.797 -9.049 -3.006 1.00 40.54 C ATOM 157 CD2 LEU A 11 4.028 -9.730 -4.642 1.00 3.13 C ATOM 0 H LEU A 11 2.306 -9.774 -0.625 1.00 50.21 H new ATOM 0 HA LEU A 11 2.085 -10.815 -3.318 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.257 -10.393 -1.273 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.552 -11.477 -2.618 1.00 42.15 H new ATOM 0 HG LEU A 11 3.726 -8.568 -2.875 1.00 3.45 H new ATOM 0 HD11 LEU A 11 6.035 -8.197 -3.643 1.00 40.54 H new ATOM 0 HD12 LEU A 11 5.983 -8.787 -1.965 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.423 -9.896 -3.285 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.293 -8.871 -5.258 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.609 -10.596 -4.959 1.00 3.13 H new ATOM 0 HD23 LEU A 11 2.965 -9.944 -4.756 1.00 3.13 H new ATOM 169 N VAL A 12 1.913 -12.780 -0.771 1.00 72.05 N ATOM 170 CA VAL A 12 1.706 -14.162 -0.353 1.00 61.41 C ATOM 171 C VAL A 12 0.314 -14.367 0.246 1.00 70.23 C ATOM 172 O VAL A 12 -0.033 -15.474 0.661 1.00 21.03 O ATOM 173 CB VAL A 12 2.765 -14.603 0.675 1.00 12.31 C ATOM 174 CG1 VAL A 12 4.148 -14.623 0.041 1.00 64.41 C ATOM 175 CG2 VAL A 12 2.742 -13.693 1.895 1.00 31.11 C ATOM 0 H VAL A 12 1.728 -12.087 -0.046 1.00 72.05 H new ATOM 0 HA VAL A 12 1.800 -14.774 -1.250 1.00 61.41 H new ATOM 0 HB VAL A 12 2.525 -15.614 1.003 1.00 12.31 H new ATOM 0 HG11 VAL A 12 4.883 -14.937 0.782 1.00 64.41 H new ATOM 0 HG12 VAL A 12 4.155 -15.322 -0.796 1.00 64.41 H new ATOM 0 HG13 VAL A 12 4.398 -13.625 -0.318 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.497 -14.022 2.609 1.00 31.11 H new ATOM 0 HG22 VAL A 12 2.954 -12.669 1.589 1.00 31.11 H new ATOM 0 HG23 VAL A 12 1.758 -13.736 2.362 1.00 31.11 H new ATOM 185 N GLU A 13 -0.484 -13.300 0.287 1.00 30.51 N ATOM 186 CA GLU A 13 -1.837 -13.374 0.833 1.00 62.23 C ATOM 187 C GLU A 13 -2.800 -12.533 0.005 1.00 71.05 C ATOM 188 O GLU A 13 -2.383 -11.768 -0.865 1.00 13.44 O ATOM 189 CB GLU A 13 -1.868 -12.883 2.285 1.00 35.34 C ATOM 190 CG GLU A 13 -0.915 -13.620 3.211 1.00 12.21 C ATOM 191 CD GLU A 13 -0.076 -12.683 4.058 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.606 -12.154 5.058 1.00 73.20 O ATOM 193 OE2 GLU A 13 1.108 -12.480 3.722 1.00 73.11 O ATOM 0 H GLU A 13 -0.216 -12.376 -0.051 1.00 30.51 H new ATOM 0 HA GLU A 13 -2.147 -14.419 0.799 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.626 -11.820 2.303 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.883 -12.985 2.670 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.487 -14.279 3.864 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.256 -14.254 2.617 1.00 12.21 H new ATOM 200 N GLU A 14 -4.090 -12.663 0.295 1.00 64.30 N ATOM 201 CA GLU A 14 -5.110 -11.898 -0.410 1.00 13.44 C ATOM 202 C GLU A 14 -5.291 -10.541 0.256 1.00 41.45 C ATOM 203 O GLU A 14 -5.487 -10.458 1.468 1.00 52.02 O ATOM 204 CB GLU A 14 -6.438 -12.653 -0.422 1.00 52.51 C ATOM 205 CG GLU A 14 -6.300 -14.127 -0.764 1.00 60.12 C ATOM 206 CD GLU A 14 -5.509 -14.360 -2.037 1.00 4.11 C ATOM 207 OE1 GLU A 14 -4.338 -13.931 -2.096 1.00 61.43 O ATOM 208 OE2 GLU A 14 -6.062 -14.974 -2.975 1.00 13.01 O ATOM 0 H GLU A 14 -4.453 -13.290 1.013 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.785 -11.754 -1.440 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -6.908 -12.559 0.557 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -7.106 -12.183 -1.143 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -5.812 -14.643 0.062 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -7.292 -14.565 -0.872 1.00 60.12 H new ATOM 215 N PHE A 15 -5.210 -9.481 -0.535 1.00 62.02 N ATOM 216 CA PHE A 15 -5.350 -8.128 -0.007 1.00 62.31 C ATOM 217 C PHE A 15 -6.606 -7.447 -0.533 1.00 64.22 C ATOM 218 O PHE A 15 -7.143 -7.818 -1.576 1.00 62.13 O ATOM 219 CB PHE A 15 -4.111 -7.296 -0.353 1.00 15.21 C ATOM 220 CG PHE A 15 -4.063 -6.841 -1.785 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.745 -5.704 -2.186 1.00 73.42 C ATOM 222 CD2 PHE A 15 -3.335 -7.550 -2.728 1.00 11.34 C ATOM 223 CE1 PHE A 15 -4.702 -5.281 -3.502 1.00 0.35 C ATOM 224 CE2 PHE A 15 -3.289 -7.132 -4.045 1.00 35.01 C ATOM 225 CZ PHE A 15 -3.973 -5.996 -4.431 1.00 31.13 C ATOM 0 H PHE A 15 -5.049 -9.529 -1.541 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.443 -8.201 1.077 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -4.080 -6.422 0.297 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.219 -7.885 -0.139 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.317 -5.141 -1.463 1.00 73.42 H new ATOM 0 HD2 PHE A 15 -2.798 -8.439 -2.431 1.00 11.34 H new ATOM 0 HE1 PHE A 15 -5.238 -4.393 -3.802 1.00 0.35 H new ATOM 0 HE2 PHE A 15 -2.719 -7.693 -4.771 1.00 35.01 H new ATOM 0 HZ PHE A 15 -3.938 -5.667 -5.459 1.00 31.13 H new ATOM 235 N VAL A 16 -7.063 -6.440 0.203 1.00 2.41 N ATOM 236 CA VAL A 16 -8.251 -5.691 -0.174 1.00 31.43 C ATOM 237 C VAL A 16 -8.023 -4.193 -0.011 1.00 22.11 C ATOM 238 O VAL A 16 -7.734 -3.717 1.087 1.00 75.14 O ATOM 239 CB VAL A 16 -9.471 -6.106 0.668 1.00 42.12 C ATOM 240 CG1 VAL A 16 -10.007 -7.453 0.209 1.00 43.11 C ATOM 241 CG2 VAL A 16 -9.112 -6.142 2.146 1.00 44.24 C ATOM 0 H VAL A 16 -6.625 -6.124 1.068 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.451 -5.918 -1.221 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.256 -5.363 0.526 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.869 -7.728 0.817 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.307 -7.388 -0.837 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.230 -8.210 0.318 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.987 -6.437 2.726 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.309 -6.861 2.308 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.783 -5.153 2.465 1.00 44.24 H new ATOM 251 N VAL A 17 -8.150 -3.453 -1.107 1.00 45.11 N ATOM 252 CA VAL A 17 -7.952 -2.008 -1.076 1.00 30.33 C ATOM 253 C VAL A 17 -8.918 -1.343 -0.103 1.00 63.52 C ATOM 254 O VAL A 17 -10.047 -1.011 -0.462 1.00 3.11 O ATOM 255 CB VAL A 17 -8.136 -1.381 -2.471 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.706 0.079 -2.459 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.358 -2.166 -3.516 1.00 3.11 C ATOM 0 H VAL A 17 -8.388 -3.828 -2.025 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.928 -1.839 -0.744 1.00 30.33 H new ATOM 0 HB VAL A 17 -9.193 -1.423 -2.733 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.842 0.507 -3.452 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.312 0.631 -1.740 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.656 0.147 -2.176 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.500 -1.708 -4.495 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.298 -2.158 -3.262 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.718 -3.195 -3.541 1.00 3.11 H new ATOM 267 N ALA A 18 -8.462 -1.145 1.130 1.00 24.25 N ATOM 268 CA ALA A 18 -9.283 -0.511 2.153 1.00 24.50 C ATOM 269 C ALA A 18 -9.154 1.006 2.085 1.00 10.51 C ATOM 270 O ALA A 18 -10.072 1.737 2.456 1.00 72.45 O ATOM 271 CB ALA A 18 -8.891 -1.016 3.534 1.00 51.34 C ATOM 0 H ALA A 18 -7.530 -1.414 1.444 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.325 -0.774 1.968 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.513 -0.533 4.288 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.035 -2.095 3.581 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -7.844 -0.781 3.723 1.00 51.34 H new ATOM 277 N GLU A 19 -8.006 1.471 1.604 1.00 44.14 N ATOM 278 CA GLU A 19 -7.747 2.898 1.480 1.00 31.20 C ATOM 279 C GLU A 19 -7.065 3.206 0.151 1.00 13.33 C ATOM 280 O GLU A 19 -5.912 2.833 -0.064 1.00 51.44 O ATOM 281 CB GLU A 19 -6.870 3.380 2.637 1.00 2.32 C ATOM 282 CG GLU A 19 -7.384 2.964 4.005 1.00 73.04 C ATOM 283 CD GLU A 19 -7.469 4.126 4.977 1.00 2.05 C ATOM 284 OE1 GLU A 19 -6.569 4.992 4.944 1.00 12.41 O ATOM 285 OE2 GLU A 19 -8.433 4.170 5.768 1.00 60.55 O ATOM 0 H GLU A 19 -7.238 0.876 1.293 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.702 3.423 1.514 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -5.861 2.990 2.504 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -6.799 4.467 2.600 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.371 2.514 3.896 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -6.728 2.198 4.418 1.00 73.04 H new ATOM 292 N GLU A 20 -7.779 3.892 -0.737 1.00 40.43 N ATOM 293 CA GLU A 20 -7.233 4.250 -2.044 1.00 21.44 C ATOM 294 C GLU A 20 -5.850 4.875 -1.892 1.00 4.42 C ATOM 295 O GLU A 20 -5.535 5.457 -0.853 1.00 22.04 O ATOM 296 CB GLU A 20 -8.171 5.216 -2.767 1.00 70.02 C ATOM 297 CG GLU A 20 -9.526 4.613 -3.099 1.00 42.32 C ATOM 298 CD GLU A 20 -9.456 3.603 -4.227 1.00 42.34 C ATOM 299 OE1 GLU A 20 -8.348 3.091 -4.496 1.00 64.14 O ATOM 300 OE2 GLU A 20 -10.507 3.325 -4.842 1.00 12.54 O ATOM 0 H GLU A 20 -8.735 4.211 -0.577 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.141 3.341 -2.639 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -8.318 6.100 -2.146 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -7.695 5.550 -3.689 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -9.932 4.131 -2.210 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -10.217 5.410 -3.373 1.00 42.32 H new ATOM 307 N CYS A 21 -5.022 4.739 -2.920 1.00 30.53 N ATOM 308 CA CYS A 21 -3.672 5.281 -2.873 1.00 64.42 C ATOM 309 C CYS A 21 -3.674 6.792 -3.068 1.00 40.01 C ATOM 310 O CYS A 21 -4.447 7.328 -3.863 1.00 62.45 O ATOM 311 CB CYS A 21 -2.772 4.605 -3.908 1.00 45.44 C ATOM 312 SG CYS A 21 -3.190 4.975 -5.640 1.00 71.30 S ATOM 0 H CYS A 21 -5.260 4.262 -3.790 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.269 5.071 -1.882 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.741 4.907 -3.725 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.819 3.526 -3.760 1.00 45.44 H new ATOM 317 N SER A 22 -2.807 7.471 -2.326 1.00 65.32 N ATOM 318 CA SER A 22 -2.704 8.924 -2.396 1.00 10.12 C ATOM 319 C SER A 22 -1.244 9.371 -2.456 1.00 65.14 C ATOM 320 O SER A 22 -0.337 8.595 -2.159 1.00 32.50 O ATOM 321 CB SER A 22 -3.396 9.562 -1.190 1.00 25.22 C ATOM 322 OG SER A 22 -4.743 9.885 -1.489 1.00 65.11 O ATOM 0 H SER A 22 -2.162 7.036 -1.666 1.00 65.32 H new ATOM 0 HA SER A 22 -3.200 9.253 -3.309 1.00 10.12 H new ATOM 0 HB2 SER A 22 -3.362 8.877 -0.343 1.00 25.22 H new ATOM 0 HB3 SER A 22 -2.860 10.463 -0.893 1.00 25.22 H new ATOM 0 HG SER A 22 -5.165 10.290 -0.702 1.00 65.11 H new ATOM 328 N PRO A 23 -1.002 10.638 -2.842 1.00 12.03 N ATOM 329 CA PRO A 23 0.348 11.198 -2.946 1.00 21.13 C ATOM 330 C PRO A 23 1.204 10.898 -1.721 1.00 45.21 C ATOM 331 O PRO A 23 0.688 10.612 -0.641 1.00 51.53 O ATOM 332 CB PRO A 23 0.113 12.713 -3.082 1.00 35.35 C ATOM 333 CG PRO A 23 -1.348 12.923 -2.847 1.00 55.13 C ATOM 334 CD PRO A 23 -2.019 11.630 -3.205 1.00 54.30 C ATOM 0 HA PRO A 23 0.894 10.766 -3.784 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.709 13.267 -2.357 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.404 13.066 -4.071 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.541 13.187 -1.807 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.727 13.741 -3.459 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.945 11.485 -2.649 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.273 11.583 -4.264 1.00 54.30 H new ATOM 342 N CYS A 24 2.519 10.962 -1.905 1.00 64.21 N ATOM 343 CA CYS A 24 3.462 10.698 -0.825 1.00 41.12 C ATOM 344 C CYS A 24 4.213 11.967 -0.437 1.00 42.30 C ATOM 345 O CYS A 24 4.902 12.569 -1.260 1.00 75.22 O ATOM 346 CB CYS A 24 4.451 9.613 -1.252 1.00 22.43 C ATOM 347 SG CYS A 24 3.667 8.050 -1.755 1.00 62.54 S ATOM 0 H CYS A 24 2.957 11.196 -2.796 1.00 64.21 H new ATOM 0 HA CYS A 24 2.903 10.353 0.045 1.00 41.12 H new ATOM 0 HB2 CYS A 24 5.051 9.989 -2.080 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.135 9.415 -0.427 1.00 22.43 H new ATOM 352 N SER A 25 4.073 12.369 0.823 1.00 62.44 N ATOM 353 CA SER A 25 4.738 13.568 1.320 1.00 2.22 C ATOM 354 C SER A 25 6.250 13.469 1.143 1.00 70.25 C ATOM 355 O SER A 25 6.755 12.511 0.558 1.00 14.45 O ATOM 356 CB SER A 25 4.400 13.788 2.796 1.00 74.44 C ATOM 357 OG SER A 25 3.001 13.897 2.989 1.00 60.02 O ATOM 0 H SER A 25 3.506 11.882 1.517 1.00 62.44 H new ATOM 0 HA SER A 25 4.379 14.418 0.739 1.00 2.22 H new ATOM 0 HB2 SER A 25 4.788 12.959 3.388 1.00 74.44 H new ATOM 0 HB3 SER A 25 4.891 14.693 3.154 1.00 74.44 H new ATOM 0 HG SER A 25 2.812 14.035 3.941 1.00 60.02 H new ATOM 363 N ASN A 26 6.966 14.468 1.650 1.00 2.45 N ATOM 364 CA ASN A 26 8.421 14.494 1.548 1.00 61.34 C ATOM 365 C ASN A 26 9.037 13.266 2.212 1.00 52.52 C ATOM 366 O ASN A 26 10.087 12.783 1.793 1.00 3.14 O ATOM 367 CB ASN A 26 8.975 15.767 2.189 1.00 2.43 C ATOM 368 CG ASN A 26 9.048 16.923 1.210 1.00 24.53 C ATOM 369 OD1 ASN A 26 9.095 16.722 -0.004 1.00 4.30 O ATOM 370 ND2 ASN A 26 9.060 18.143 1.734 1.00 71.53 N ATOM 0 H ASN A 26 6.563 15.269 2.135 1.00 2.45 H new ATOM 0 HA ASN A 26 8.686 14.483 0.491 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.346 16.049 3.033 1.00 2.43 H new ATOM 0 HB3 ASN A 26 9.970 15.567 2.586 1.00 2.43 H new ATOM 0 HD21 ASN A 26 9.110 18.959 1.125 1.00 71.53 H new ATOM 0 HD22 ASN A 26 9.019 18.264 2.746 1.00 71.53 H new ATOM 377 N PHE A 27 8.374 12.768 3.252 1.00 41.14 N ATOM 378 CA PHE A 27 8.856 11.597 3.974 1.00 41.32 C ATOM 379 C PHE A 27 8.213 10.323 3.437 1.00 71.23 C ATOM 380 O PHE A 27 8.870 9.291 3.305 1.00 42.14 O ATOM 381 CB PHE A 27 8.566 11.739 5.470 1.00 24.41 C ATOM 382 CG PHE A 27 9.650 11.184 6.347 1.00 14.35 C ATOM 383 CD1 PHE A 27 10.092 9.881 6.185 1.00 64.20 C ATOM 384 CD2 PHE A 27 10.229 11.965 7.334 1.00 4.42 C ATOM 385 CE1 PHE A 27 11.090 9.367 6.992 1.00 5.30 C ATOM 386 CE2 PHE A 27 11.227 11.458 8.144 1.00 72.30 C ATOM 387 CZ PHE A 27 11.659 10.157 7.972 1.00 64.12 C ATOM 0 H PHE A 27 7.503 13.157 3.612 1.00 41.14 H new ATOM 0 HA PHE A 27 9.934 11.528 3.825 1.00 41.32 H new ATOM 0 HB2 PHE A 27 8.424 12.794 5.706 1.00 24.41 H new ATOM 0 HB3 PHE A 27 7.629 11.232 5.700 1.00 24.41 H new ATOM 0 HD1 PHE A 27 9.652 9.259 5.419 1.00 64.20 H new ATOM 0 HD2 PHE A 27 9.896 12.983 7.472 1.00 4.42 H new ATOM 0 HE1 PHE A 27 11.424 8.349 6.856 1.00 5.30 H new ATOM 0 HE2 PHE A 27 11.669 12.078 8.910 1.00 72.30 H new ATOM 0 HZ PHE A 27 12.440 9.758 8.602 1.00 64.12 H new ATOM 397 N ARG A 28 6.922 10.403 3.128 1.00 22.22 N ATOM 398 CA ARG A 28 6.189 9.257 2.604 1.00 53.32 C ATOM 399 C ARG A 28 6.806 8.766 1.299 1.00 23.30 C ATOM 400 O ARG A 28 6.917 7.562 1.068 1.00 30.43 O ATOM 401 CB ARG A 28 4.719 9.620 2.387 1.00 15.32 C ATOM 402 CG ARG A 28 3.766 8.466 2.650 1.00 53.34 C ATOM 403 CD ARG A 28 2.437 8.667 1.942 1.00 33.12 C ATOM 404 NE ARG A 28 1.842 9.965 2.253 1.00 10.41 N ATOM 405 CZ ARG A 28 0.554 10.253 2.074 1.00 5.44 C ATOM 406 NH1 ARG A 28 -0.275 9.339 1.586 1.00 3.24 N ATOM 407 NH2 ARG A 28 0.096 11.457 2.384 1.00 51.31 N ATOM 0 H ARG A 28 6.363 11.250 3.232 1.00 22.22 H new ATOM 0 HA ARG A 28 6.250 8.452 3.336 1.00 53.32 H new ATOM 0 HB2 ARG A 28 4.458 10.453 3.040 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.585 9.965 1.362 1.00 15.32 H new ATOM 0 HG2 ARG A 28 4.221 7.534 2.314 1.00 53.34 H new ATOM 0 HG3 ARG A 28 3.597 8.370 3.723 1.00 53.34 H new ATOM 0 HD2 ARG A 28 2.584 8.584 0.865 1.00 33.12 H new ATOM 0 HD3 ARG A 28 1.748 7.874 2.232 1.00 33.12 H new ATOM 0 HE ARG A 28 2.449 10.693 2.629 1.00 10.41 H new ATOM 0 HH11 ARG A 28 0.073 8.411 1.346 1.00 3.24 H new ATOM 0 HH12 ARG A 28 -1.261 9.565 1.451 1.00 3.24 H new ATOM 0 HH21 ARG A 28 0.730 12.163 2.759 1.00 51.31 H new ATOM 0 HH22 ARG A 28 -0.890 11.678 2.247 1.00 51.31 H new ATOM 421 N ALA A 29 7.207 9.706 0.449 1.00 64.15 N ATOM 422 CA ALA A 29 7.812 9.367 -0.835 1.00 43.54 C ATOM 423 C ALA A 29 9.328 9.212 -0.717 1.00 41.43 C ATOM 424 O ALA A 29 10.025 9.092 -1.725 1.00 0.32 O ATOM 425 CB ALA A 29 7.470 10.425 -1.872 1.00 22.10 C ATOM 0 H ALA A 29 7.124 10.707 0.625 1.00 64.15 H new ATOM 0 HA ALA A 29 7.403 8.408 -1.154 1.00 43.54 H new ATOM 0 HB1 ALA A 29 7.927 10.161 -2.826 1.00 22.10 H new ATOM 0 HB2 ALA A 29 6.388 10.481 -1.991 1.00 22.10 H new ATOM 0 HB3 ALA A 29 7.849 11.393 -1.543 1.00 22.10 H new ATOM 431 N LYS A 30 9.836 9.214 0.513 1.00 63.32 N ATOM 432 CA LYS A 30 11.268 9.073 0.746 1.00 21.21 C ATOM 433 C LYS A 30 11.617 7.642 1.145 1.00 71.31 C ATOM 434 O LYS A 30 12.684 7.134 0.799 1.00 20.25 O ATOM 435 CB LYS A 30 11.727 10.047 1.835 1.00 54.31 C ATOM 436 CG LYS A 30 12.351 11.319 1.288 1.00 43.22 C ATOM 437 CD LYS A 30 13.691 11.043 0.626 1.00 73.04 C ATOM 438 CE LYS A 30 14.083 12.158 -0.329 1.00 54.22 C ATOM 439 NZ LYS A 30 15.452 11.964 -0.880 1.00 13.54 N ATOM 0 H LYS A 30 9.277 9.312 1.361 1.00 63.32 H new ATOM 0 HA LYS A 30 11.787 9.307 -0.183 1.00 21.21 H new ATOM 0 HB2 LYS A 30 10.873 10.310 2.459 1.00 54.31 H new ATOM 0 HB3 LYS A 30 12.450 9.545 2.479 1.00 54.31 H new ATOM 0 HG2 LYS A 30 11.674 11.776 0.566 1.00 43.22 H new ATOM 0 HG3 LYS A 30 12.485 12.037 2.097 1.00 43.22 H new ATOM 0 HD2 LYS A 30 14.459 10.931 1.391 1.00 73.04 H new ATOM 0 HD3 LYS A 30 13.642 10.099 0.083 1.00 73.04 H new ATOM 0 HE2 LYS A 30 13.365 12.203 -1.148 1.00 54.22 H new ATOM 0 HE3 LYS A 30 14.034 13.115 0.191 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 15.680 12.746 -1.526 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 16.141 11.947 -0.101 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 15.493 11.063 -1.398 1.00 13.54 H new ATOM 453 N THR A 31 10.713 6.999 1.876 1.00 61.53 N ATOM 454 CA THR A 31 10.927 5.628 2.323 1.00 13.24 C ATOM 455 C THR A 31 10.106 4.645 1.493 1.00 42.45 C ATOM 456 O THR A 31 10.603 3.596 1.085 1.00 34.10 O ATOM 457 CB THR A 31 10.564 5.490 3.803 1.00 11.02 C ATOM 458 OG1 THR A 31 9.563 6.425 4.163 1.00 32.44 O ATOM 459 CG2 THR A 31 11.742 5.700 4.730 1.00 22.32 C ATOM 0 H THR A 31 9.825 7.405 2.171 1.00 61.53 H new ATOM 0 HA THR A 31 11.983 5.392 2.189 1.00 13.24 H new ATOM 0 HB THR A 31 10.209 4.466 3.919 1.00 11.02 H new ATOM 0 HG1 THR A 31 9.343 6.320 5.112 1.00 32.44 H new ATOM 0 HG21 THR A 31 11.416 5.588 5.764 1.00 22.32 H new ATOM 0 HG22 THR A 31 12.513 4.962 4.511 1.00 22.32 H new ATOM 0 HG23 THR A 31 12.146 6.702 4.583 1.00 22.32 H new ATOM 467 N THR A 32 8.846 4.992 1.248 1.00 45.15 N ATOM 468 CA THR A 32 7.956 4.140 0.469 1.00 43.11 C ATOM 469 C THR A 32 8.372 4.110 -1.002 1.00 2.54 C ATOM 470 O THR A 32 8.255 5.113 -1.705 1.00 63.31 O ATOM 471 CB THR A 32 6.513 4.631 0.591 1.00 61.10 C ATOM 472 OG1 THR A 32 6.147 4.781 1.951 1.00 32.05 O ATOM 473 CG2 THR A 32 5.508 3.703 -0.056 1.00 2.45 C ATOM 0 H THR A 32 8.419 5.858 1.578 1.00 45.15 H new ATOM 0 HA THR A 32 8.026 3.127 0.867 1.00 43.11 H new ATOM 0 HB THR A 32 6.489 5.587 0.068 1.00 61.10 H new ATOM 0 HG1 THR A 32 6.246 5.720 2.215 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.505 4.111 0.067 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.733 3.607 -1.118 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.562 2.722 0.417 1.00 2.45 H new ATOM 481 N PRO A 33 8.866 2.957 -1.491 1.00 11.43 N ATOM 482 CA PRO A 33 9.295 2.813 -2.886 1.00 45.13 C ATOM 483 C PRO A 33 8.120 2.801 -3.861 1.00 31.43 C ATOM 484 O PRO A 33 8.300 2.964 -5.067 1.00 12.40 O ATOM 485 CB PRO A 33 10.011 1.461 -2.899 1.00 10.30 C ATOM 486 CG PRO A 33 9.387 0.694 -1.786 1.00 12.03 C ATOM 487 CD PRO A 33 9.043 1.705 -0.727 1.00 41.42 C ATOM 0 HA PRO A 33 9.920 3.647 -3.206 1.00 45.13 H new ATOM 0 HB2 PRO A 33 9.879 0.952 -3.854 1.00 10.30 H new ATOM 0 HB3 PRO A 33 11.084 1.579 -2.746 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.496 0.167 -2.127 1.00 12.03 H new ATOM 0 HG3 PRO A 33 10.073 -0.059 -1.398 1.00 12.03 H new ATOM 0 HD2 PRO A 33 8.135 1.431 -0.190 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.837 1.796 0.014 1.00 41.42 H new ATOM 495 N GLU A 34 6.915 2.606 -3.330 1.00 11.32 N ATOM 496 CA GLU A 34 5.711 2.573 -4.155 1.00 53.25 C ATOM 497 C GLU A 34 5.383 3.956 -4.720 1.00 10.23 C ATOM 498 O GLU A 34 4.523 4.090 -5.589 1.00 54.24 O ATOM 499 CB GLU A 34 4.527 2.053 -3.338 1.00 63.21 C ATOM 500 CG GLU A 34 4.386 0.540 -3.368 1.00 20.42 C ATOM 501 CD GLU A 34 5.015 -0.128 -2.160 1.00 61.21 C ATOM 502 OE1 GLU A 34 5.859 0.512 -1.499 1.00 71.10 O ATOM 503 OE2 GLU A 34 4.664 -1.293 -1.877 1.00 20.23 O ATOM 0 H GLU A 34 6.747 2.469 -2.333 1.00 11.32 H new ATOM 0 HA GLU A 34 5.899 1.900 -4.992 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.639 2.379 -2.304 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.609 2.503 -3.717 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.329 0.278 -3.414 1.00 20.42 H new ATOM 0 HG3 GLU A 34 4.850 0.153 -4.275 1.00 20.42 H new ATOM 510 N CYS A 35 6.071 4.982 -4.223 1.00 34.03 N ATOM 511 CA CYS A 35 5.846 6.349 -4.683 1.00 51.31 C ATOM 512 C CYS A 35 6.800 6.715 -5.818 1.00 2.43 C ATOM 513 O CYS A 35 7.102 7.890 -6.030 1.00 20.32 O ATOM 514 CB CYS A 35 6.020 7.327 -3.521 1.00 24.41 C ATOM 515 SG CYS A 35 5.236 6.782 -1.969 1.00 51.41 S ATOM 0 H CYS A 35 6.788 4.892 -3.503 1.00 34.03 H new ATOM 0 HA CYS A 35 4.826 6.414 -5.062 1.00 51.31 H new ATOM 0 HB2 CYS A 35 7.085 7.479 -3.344 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.603 8.293 -3.807 1.00 24.41 H new ATOM 520 N GLY A 36 7.279 5.705 -6.538 1.00 63.22 N ATOM 521 CA GLY A 36 8.200 5.947 -7.633 1.00 52.33 C ATOM 522 C GLY A 36 7.518 6.019 -8.990 1.00 55.01 C ATOM 523 O GLY A 36 7.775 6.943 -9.761 1.00 64.32 O ATOM 0 H GLY A 36 7.046 4.724 -6.383 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.731 6.881 -7.452 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.947 5.154 -7.652 1.00 52.33 H new ATOM 527 N PRO A 37 6.650 5.046 -9.325 1.00 73.14 N ATOM 528 CA PRO A 37 5.958 5.019 -10.610 1.00 23.15 C ATOM 529 C PRO A 37 4.691 5.870 -10.625 1.00 63.30 C ATOM 530 O PRO A 37 4.486 6.675 -11.534 1.00 0.41 O ATOM 531 CB PRO A 37 5.616 3.540 -10.776 1.00 62.32 C ATOM 532 CG PRO A 37 5.441 3.026 -9.386 1.00 11.42 C ATOM 533 CD PRO A 37 6.288 3.890 -8.482 1.00 1.33 C ATOM 0 HA PRO A 37 6.569 5.432 -11.412 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.707 3.409 -11.363 1.00 62.32 H new ATOM 0 HB3 PRO A 37 6.411 3.007 -11.297 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.393 3.069 -9.089 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.748 1.982 -9.320 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.735 4.201 -7.595 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.173 3.357 -8.135 1.00 1.33 H new ATOM 541 N THR A 38 3.840 5.685 -9.621 1.00 72.51 N ATOM 542 CA THR A 38 2.593 6.438 -9.532 1.00 5.33 C ATOM 543 C THR A 38 2.707 7.579 -8.531 1.00 31.43 C ATOM 544 O THR A 38 2.084 8.627 -8.697 1.00 73.30 O ATOM 545 CB THR A 38 1.438 5.518 -9.117 1.00 71.42 C ATOM 546 OG1 THR A 38 0.324 6.277 -8.682 1.00 73.30 O ATOM 547 CG2 THR A 38 1.802 4.563 -8.000 1.00 44.04 C ATOM 0 H THR A 38 3.990 5.023 -8.860 1.00 72.51 H new ATOM 0 HA THR A 38 2.392 6.855 -10.519 1.00 5.33 H new ATOM 0 HB THR A 38 1.200 4.937 -10.008 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.409 5.673 -8.441 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.940 3.942 -7.756 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.628 3.927 -8.319 1.00 44.04 H new ATOM 0 HG23 THR A 38 2.101 5.131 -7.119 1.00 44.04 H new ATOM 555 N GLY A 39 3.485 7.359 -7.478 1.00 33.13 N ATOM 556 CA GLY A 39 3.635 8.371 -6.450 1.00 62.14 C ATOM 557 C GLY A 39 2.481 8.337 -5.462 1.00 14.14 C ATOM 558 O GLY A 39 2.471 9.077 -4.477 1.00 32.31 O ATOM 0 H GLY A 39 4.013 6.501 -7.318 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.574 8.216 -5.919 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.690 9.356 -6.913 1.00 62.14 H new ATOM 562 N TYR A 40 1.510 7.465 -5.732 1.00 12.43 N ATOM 563 CA TYR A 40 0.342 7.310 -4.881 1.00 72.12 C ATOM 564 C TYR A 40 0.377 5.946 -4.198 1.00 52.23 C ATOM 565 O TYR A 40 0.521 4.920 -4.864 1.00 63.24 O ATOM 566 CB TYR A 40 -0.934 7.434 -5.718 1.00 3.43 C ATOM 567 CG TYR A 40 -1.226 8.839 -6.205 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.254 9.592 -6.853 1.00 71.14 C ATOM 569 CD2 TYR A 40 -2.481 9.407 -6.021 1.00 11.45 C ATOM 570 CE1 TYR A 40 -0.524 10.871 -7.301 1.00 4.45 C ATOM 571 CE2 TYR A 40 -2.759 10.685 -6.468 1.00 41.14 C ATOM 572 CZ TYR A 40 -1.778 11.413 -7.107 1.00 61.44 C ATOM 573 OH TYR A 40 -2.050 12.685 -7.553 1.00 3.50 O ATOM 0 H TYR A 40 1.515 6.850 -6.546 1.00 12.43 H new ATOM 0 HA TYR A 40 0.350 8.093 -4.122 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.855 6.772 -6.580 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.779 7.085 -5.125 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.728 9.171 -7.009 1.00 71.14 H new ATOM 0 HD2 TYR A 40 -3.252 8.840 -5.520 1.00 11.45 H new ATOM 0 HE1 TYR A 40 0.243 11.444 -7.801 1.00 4.45 H new ATOM 0 HE2 TYR A 40 -3.740 11.111 -6.317 1.00 41.14 H new ATOM 0 HH TYR A 40 -2.978 12.915 -7.338 1.00 3.50 H new ATOM 583 N VAL A 41 0.252 5.928 -2.874 1.00 42.43 N ATOM 584 CA VAL A 41 0.282 4.669 -2.136 1.00 62.13 C ATOM 585 C VAL A 41 -1.024 4.415 -1.386 1.00 74.32 C ATOM 586 O VAL A 41 -1.512 5.274 -0.651 1.00 3.13 O ATOM 587 CB VAL A 41 1.452 4.627 -1.138 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.779 4.764 -1.868 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.301 5.709 -0.080 1.00 64.44 C ATOM 0 H VAL A 41 0.130 6.760 -2.296 1.00 42.43 H new ATOM 0 HA VAL A 41 0.417 3.884 -2.880 1.00 62.13 H new ATOM 0 HB VAL A 41 1.437 3.661 -0.633 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.596 4.732 -1.147 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.890 3.945 -2.578 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.804 5.713 -2.403 1.00 2.21 H new ATOM 0 HG21 VAL A 41 2.140 5.659 0.614 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.285 6.687 -0.560 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.370 5.557 0.465 1.00 64.44 H new ATOM 599 N GLU A 42 -1.577 3.220 -1.582 1.00 61.52 N ATOM 600 CA GLU A 42 -2.827 2.820 -0.939 1.00 3.23 C ATOM 601 C GLU A 42 -2.565 1.947 0.284 1.00 23.24 C ATOM 602 O GLU A 42 -1.433 1.532 0.536 1.00 50.54 O ATOM 603 CB GLU A 42 -3.704 2.052 -1.932 1.00 62.53 C ATOM 604 CG GLU A 42 -2.938 1.023 -2.743 1.00 13.02 C ATOM 605 CD GLU A 42 -3.666 -0.303 -2.846 1.00 72.20 C ATOM 606 OE1 GLU A 42 -4.888 -0.331 -2.589 1.00 31.14 O ATOM 607 OE2 GLU A 42 -3.014 -1.313 -3.185 1.00 2.41 O ATOM 0 H GLU A 42 -1.174 2.505 -2.188 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.341 3.725 -0.615 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.504 1.551 -1.387 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.176 2.761 -2.612 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.762 1.414 -3.745 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -1.961 0.862 -2.287 1.00 13.02 H new ATOM 614 N LYS A 43 -3.627 1.664 1.033 1.00 11.22 N ATOM 615 CA LYS A 43 -3.528 0.832 2.226 1.00 62.41 C ATOM 616 C LYS A 43 -4.377 -0.426 2.076 1.00 53.12 C ATOM 617 O LYS A 43 -5.582 -0.410 2.332 1.00 1.11 O ATOM 618 CB LYS A 43 -3.968 1.618 3.463 1.00 42.13 C ATOM 619 CG LYS A 43 -3.019 1.480 4.642 1.00 13.50 C ATOM 620 CD LYS A 43 -3.033 2.721 5.517 1.00 11.04 C ATOM 621 CE LYS A 43 -3.941 2.542 6.724 1.00 11.11 C ATOM 622 NZ LYS A 43 -3.609 1.310 7.490 1.00 54.40 N ATOM 0 H LYS A 43 -4.569 2.001 0.833 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.486 0.536 2.350 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.057 2.672 3.200 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -4.960 1.280 3.764 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.300 0.611 5.237 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.007 1.302 4.277 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -2.020 2.942 5.852 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -3.369 3.577 4.931 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -3.853 3.410 7.377 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -4.979 2.496 6.394 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -3.791 1.470 8.501 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -4.198 0.522 7.153 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -2.605 1.075 7.352 1.00 54.40 H new ATOM 636 N ILE A 44 -3.744 -1.514 1.651 1.00 32.43 N ATOM 637 CA ILE A 44 -4.442 -2.779 1.459 1.00 61.52 C ATOM 638 C ILE A 44 -4.190 -3.734 2.622 1.00 63.40 C ATOM 639 O ILE A 44 -3.049 -3.927 3.043 1.00 33.33 O ATOM 640 CB ILE A 44 -4.012 -3.462 0.145 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.486 -3.476 0.028 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.634 -2.754 -1.048 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.935 -4.781 -0.504 1.00 31.45 C ATOM 0 H ILE A 44 -2.748 -1.545 1.433 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.506 -2.547 1.411 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.366 -4.493 0.155 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -2.172 -2.664 -0.628 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -2.052 -3.280 1.009 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -4.321 -3.248 -1.968 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.720 -2.792 -0.968 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -4.307 -1.714 -1.065 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.848 -4.721 -0.561 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.219 -5.595 0.163 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.341 -4.969 -1.498 1.00 31.45 H new ATOM 655 N THR A 45 -5.262 -4.327 3.138 1.00 55.41 N ATOM 656 CA THR A 45 -5.162 -5.263 4.253 1.00 51.25 C ATOM 657 C THR A 45 -5.241 -6.704 3.761 1.00 40.22 C ATOM 658 O THR A 45 -6.014 -7.018 2.856 1.00 1.12 O ATOM 659 CB THR A 45 -6.272 -4.998 5.270 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.412 -3.609 5.509 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.036 -5.673 6.603 1.00 42.42 C ATOM 0 H THR A 45 -6.213 -4.175 2.801 1.00 55.41 H new ATOM 0 HA THR A 45 -4.195 -5.114 4.734 1.00 51.25 H new ATOM 0 HB THR A 45 -7.176 -5.415 4.826 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.128 -3.460 6.161 1.00 3.01 H new ATOM 0 HG21 THR A 45 -6.861 -5.444 7.278 1.00 42.42 H new ATOM 0 HG22 THR A 45 -5.974 -6.752 6.459 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.103 -5.311 7.034 1.00 42.42 H new ATOM 669 N CYS A 46 -4.437 -7.578 4.361 1.00 64.32 N ATOM 670 CA CYS A 46 -4.423 -8.984 3.975 1.00 13.53 C ATOM 671 C CYS A 46 -5.320 -9.813 4.884 1.00 55.44 C ATOM 672 O CYS A 46 -5.099 -9.889 6.091 1.00 70.35 O ATOM 673 CB CYS A 46 -2.997 -9.539 4.008 1.00 22.14 C ATOM 674 SG CYS A 46 -1.920 -8.873 2.694 1.00 51.55 S ATOM 0 H CYS A 46 -3.790 -7.338 5.112 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.807 -9.050 2.957 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.552 -9.316 4.978 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -3.037 -10.625 3.917 1.00 22.14 H new ATOM 679 N SER A 47 -6.328 -10.448 4.291 1.00 45.25 N ATOM 680 CA SER A 47 -7.254 -11.286 5.043 1.00 42.35 C ATOM 681 C SER A 47 -6.488 -12.272 5.916 1.00 14.03 C ATOM 682 O SER A 47 -6.962 -12.685 6.974 1.00 21.44 O ATOM 683 CB SER A 47 -8.179 -12.042 4.087 1.00 63.32 C ATOM 684 OG SER A 47 -8.931 -13.025 4.775 1.00 14.35 O ATOM 0 H SER A 47 -6.523 -10.397 3.291 1.00 45.25 H new ATOM 0 HA SER A 47 -7.858 -10.645 5.685 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.854 -11.340 3.598 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.588 -12.515 3.303 1.00 63.32 H new ATOM 0 HG SER A 47 -9.515 -13.493 4.142 1.00 14.35 H new ATOM 690 N SER A 48 -5.290 -12.633 5.465 1.00 3.45 N ATOM 691 CA SER A 48 -4.444 -13.556 6.202 1.00 4.33 C ATOM 692 C SER A 48 -3.605 -12.801 7.226 1.00 11.24 C ATOM 693 O SER A 48 -2.608 -12.166 6.883 1.00 45.14 O ATOM 694 CB SER A 48 -3.538 -14.332 5.244 1.00 32.31 C ATOM 695 OG SER A 48 -3.905 -15.700 5.191 1.00 44.11 O ATOM 0 H SER A 48 -4.886 -12.298 4.591 1.00 3.45 H new ATOM 0 HA SER A 48 -5.082 -14.266 6.728 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.600 -13.897 4.247 1.00 32.31 H new ATOM 0 HB3 SER A 48 -2.501 -14.243 5.567 1.00 32.31 H new ATOM 0 HG SER A 48 -3.312 -16.174 4.571 1.00 44.11 H new ATOM 701 N SER A 49 -4.033 -12.873 8.481 1.00 21.11 N ATOM 702 CA SER A 49 -3.355 -12.203 9.593 1.00 51.02 C ATOM 703 C SER A 49 -3.707 -10.720 9.645 1.00 25.33 C ATOM 704 O SER A 49 -3.098 -9.962 10.401 1.00 51.41 O ATOM 705 CB SER A 49 -1.830 -12.371 9.502 1.00 14.34 C ATOM 706 OG SER A 49 -1.364 -13.305 10.461 1.00 42.14 O ATOM 0 H SER A 49 -4.862 -13.398 8.761 1.00 21.11 H new ATOM 0 HA SER A 49 -3.704 -12.677 10.510 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.556 -12.705 8.501 1.00 14.34 H new ATOM 0 HB3 SER A 49 -1.344 -11.408 9.661 1.00 14.34 H new ATOM 0 HG SER A 49 -0.391 -13.396 10.383 1.00 42.14 H new ATOM 712 N LYS A 50 -4.688 -10.305 8.840 1.00 72.14 N ATOM 713 CA LYS A 50 -5.107 -8.906 8.800 1.00 20.52 C ATOM 714 C LYS A 50 -3.891 -7.987 8.825 1.00 2.24 C ATOM 715 O LYS A 50 -3.587 -7.366 9.843 1.00 33.43 O ATOM 716 CB LYS A 50 -6.029 -8.593 9.981 1.00 22.21 C ATOM 717 CG LYS A 50 -7.503 -8.573 9.613 1.00 61.25 C ATOM 718 CD LYS A 50 -7.870 -7.308 8.853 1.00 54.41 C ATOM 719 CE LYS A 50 -9.377 -7.144 8.738 1.00 54.43 C ATOM 720 NZ LYS A 50 -10.052 -7.270 10.060 1.00 32.11 N ATOM 0 H LYS A 50 -5.205 -10.918 8.209 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.655 -8.735 7.873 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.868 -9.335 10.763 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.754 -7.625 10.399 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.739 -9.446 9.004 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -8.106 -8.643 10.518 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -7.446 -6.442 9.361 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -7.429 -7.340 7.857 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.604 -6.169 8.306 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -9.773 -7.896 8.055 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.965 -6.772 10.033 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -10.212 -8.275 10.274 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -9.451 -6.851 10.798 1.00 32.11 H new ATOM 734 N ARG A 51 -3.189 -7.921 7.700 1.00 1.11 N ATOM 735 CA ARG A 51 -1.994 -7.098 7.598 1.00 14.13 C ATOM 736 C ARG A 51 -2.164 -6.008 6.547 1.00 53.14 C ATOM 737 O ARG A 51 -2.414 -6.290 5.374 1.00 22.30 O ATOM 738 CB ARG A 51 -0.785 -7.976 7.272 1.00 42.52 C ATOM 739 CG ARG A 51 0.318 -7.904 8.315 1.00 52.54 C ATOM 740 CD ARG A 51 1.543 -8.693 7.883 1.00 73.22 C ATOM 741 NE ARG A 51 2.696 -8.426 8.740 1.00 64.03 N ATOM 742 CZ ARG A 51 3.354 -7.269 8.759 1.00 42.13 C ATOM 743 NH1 ARG A 51 2.977 -6.271 7.970 1.00 21.42 N ATOM 744 NH2 ARG A 51 4.393 -7.110 9.568 1.00 50.42 N ATOM 0 H ARG A 51 -3.428 -8.428 6.847 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.830 -6.609 8.558 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -1.114 -9.011 7.174 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.380 -7.677 6.305 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.595 -6.863 8.483 1.00 52.54 H new ATOM 0 HG3 ARG A 51 -0.051 -8.293 9.264 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.314 -9.758 7.905 1.00 73.22 H new ATOM 0 HD3 ARG A 51 1.791 -8.441 6.852 1.00 73.22 H new ATOM 0 HE ARG A 51 3.015 -9.170 9.360 1.00 64.03 H new ATOM 0 HH11 ARG A 51 2.179 -6.388 7.345 1.00 21.42 H new ATOM 0 HH12 ARG A 51 3.485 -5.387 7.989 1.00 21.42 H new ATOM 0 HH21 ARG A 51 4.688 -7.874 10.176 1.00 50.42 H new ATOM 0 HH22 ARG A 51 4.897 -6.223 9.582 1.00 50.42 H new ATOM 758 N ASN A 52 -2.024 -4.761 6.981 1.00 34.42 N ATOM 759 CA ASN A 52 -2.159 -3.616 6.088 1.00 23.12 C ATOM 760 C ASN A 52 -0.806 -3.212 5.514 1.00 31.12 C ATOM 761 O ASN A 52 0.055 -2.699 6.229 1.00 2.31 O ATOM 762 CB ASN A 52 -2.785 -2.434 6.830 1.00 20.24 C ATOM 763 CG ASN A 52 -1.938 -1.971 7.998 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.050 -1.131 7.843 1.00 5.34 O ATOM 765 ND2 ASN A 52 -2.207 -2.517 9.178 1.00 3.21 N ATOM 0 H ASN A 52 -1.816 -4.516 7.949 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.812 -3.905 5.264 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -2.925 -1.606 6.136 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -3.773 -2.718 7.191 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -1.669 -2.244 10.001 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -2.951 -3.209 9.262 1.00 3.21 H new ATOM 772 N GLU A 53 -0.626 -3.447 4.220 1.00 41.33 N ATOM 773 CA GLU A 53 0.622 -3.108 3.549 1.00 4.05 C ATOM 774 C GLU A 53 0.488 -1.798 2.781 1.00 61.35 C ATOM 775 O GLU A 53 -0.620 -1.331 2.515 1.00 75.32 O ATOM 776 CB GLU A 53 1.036 -4.232 2.598 1.00 12.24 C ATOM 777 CG GLU A 53 2.139 -5.122 3.148 1.00 2.20 C ATOM 778 CD GLU A 53 3.357 -4.334 3.591 1.00 62.15 C ATOM 779 OE1 GLU A 53 4.252 -4.103 2.751 1.00 30.34 O ATOM 780 OE2 GLU A 53 3.415 -3.948 4.778 1.00 35.21 O ATOM 0 H GLU A 53 -1.329 -3.871 3.615 1.00 41.33 H new ATOM 0 HA GLU A 53 1.393 -2.984 4.310 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.164 -4.846 2.374 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.369 -3.795 1.657 1.00 12.24 H new ATOM 0 HG2 GLU A 53 1.753 -5.693 3.993 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.434 -5.842 2.385 1.00 2.20 H new ATOM 787 N PHE A 54 1.626 -1.215 2.423 1.00 62.12 N ATOM 788 CA PHE A 54 1.642 0.039 1.681 1.00 52.31 C ATOM 789 C PHE A 54 1.989 -0.208 0.217 1.00 20.21 C ATOM 790 O PHE A 54 3.161 -0.320 -0.144 1.00 71.11 O ATOM 791 CB PHE A 54 2.648 1.011 2.300 1.00 31.23 C ATOM 792 CG PHE A 54 2.059 1.883 3.372 1.00 44.21 C ATOM 793 CD1 PHE A 54 1.411 3.063 3.045 1.00 53.04 C ATOM 794 CD2 PHE A 54 2.154 1.522 4.707 1.00 60.55 C ATOM 795 CE1 PHE A 54 0.868 3.867 4.029 1.00 20.43 C ATOM 796 CE2 PHE A 54 1.613 2.322 5.695 1.00 31.14 C ATOM 797 CZ PHE A 54 0.969 3.496 5.356 1.00 5.43 C ATOM 0 H PHE A 54 2.550 -1.591 2.635 1.00 62.12 H new ATOM 0 HA PHE A 54 0.647 0.480 1.734 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.478 0.443 2.720 1.00 31.23 H new ATOM 0 HB3 PHE A 54 3.060 1.644 1.514 1.00 31.23 H new ATOM 0 HD1 PHE A 54 1.329 3.358 2.009 1.00 53.04 H new ATOM 0 HD2 PHE A 54 2.657 0.605 4.978 1.00 60.55 H new ATOM 0 HE1 PHE A 54 0.365 4.784 3.761 1.00 20.43 H new ATOM 0 HE2 PHE A 54 1.694 2.030 6.732 1.00 31.14 H new ATOM 0 HZ PHE A 54 0.545 4.123 6.127 1.00 5.43 H new ATOM 807 N LYS A 55 0.962 -0.295 -0.620 1.00 44.01 N ATOM 808 CA LYS A 55 1.155 -0.531 -2.046 1.00 73.11 C ATOM 809 C LYS A 55 0.883 0.738 -2.846 1.00 63.12 C ATOM 810 O LYS A 55 0.511 1.765 -2.284 1.00 60.32 O ATOM 811 CB LYS A 55 0.242 -1.663 -2.523 1.00 13.23 C ATOM 812 CG LYS A 55 0.977 -2.757 -3.280 1.00 41.25 C ATOM 813 CD LYS A 55 0.259 -4.092 -3.169 1.00 62.10 C ATOM 814 CE LYS A 55 -1.148 -4.019 -3.738 1.00 31.24 C ATOM 815 NZ LYS A 55 -1.146 -3.634 -5.177 1.00 13.13 N ATOM 0 H LYS A 55 -0.014 -0.206 -0.336 1.00 44.01 H new ATOM 0 HA LYS A 55 2.193 -0.822 -2.208 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.259 -2.103 -1.661 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.534 -1.247 -3.165 1.00 13.23 H new ATOM 0 HG2 LYS A 55 1.066 -2.477 -4.330 1.00 41.25 H new ATOM 0 HG3 LYS A 55 1.990 -2.854 -2.889 1.00 41.25 H new ATOM 0 HD2 LYS A 55 0.827 -4.857 -3.699 1.00 62.10 H new ATOM 0 HD3 LYS A 55 0.214 -4.396 -2.123 1.00 62.10 H new ATOM 0 HE2 LYS A 55 -1.637 -4.986 -3.622 1.00 31.24 H new ATOM 0 HE3 LYS A 55 -1.732 -3.296 -3.169 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -2.096 -3.775 -5.575 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -0.877 -2.634 -5.268 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 -0.463 -4.224 -5.693 1.00 13.13 H new ATOM 829 N SER A 56 1.072 0.661 -4.159 1.00 61.14 N ATOM 830 CA SER A 56 0.844 1.807 -5.033 1.00 14.20 C ATOM 831 C SER A 56 -0.259 1.502 -6.042 1.00 33.41 C ATOM 832 O SER A 56 -0.328 0.397 -6.580 1.00 61.31 O ATOM 833 CB SER A 56 2.135 2.180 -5.769 1.00 42.24 C ATOM 834 OG SER A 56 3.081 1.127 -5.706 1.00 4.04 O ATOM 0 H SER A 56 1.382 -0.182 -4.642 1.00 61.14 H new ATOM 0 HA SER A 56 0.531 2.650 -4.417 1.00 14.20 H new ATOM 0 HB2 SER A 56 1.910 2.409 -6.811 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.560 3.082 -5.329 1.00 42.24 H new ATOM 0 HG SER A 56 3.895 1.390 -6.184 1.00 4.04 H new ATOM 840 N CYS A 57 -1.121 2.483 -6.299 1.00 64.24 N ATOM 841 CA CYS A 57 -2.211 2.294 -7.253 1.00 63.31 C ATOM 842 C CYS A 57 -2.321 3.484 -8.200 1.00 53.51 C ATOM 843 O CYS A 57 -1.608 4.475 -8.050 1.00 2.13 O ATOM 844 CB CYS A 57 -3.544 2.052 -6.517 1.00 44.32 C ATOM 845 SG CYS A 57 -4.539 3.541 -6.138 1.00 74.43 S ATOM 0 H CYS A 57 -1.088 3.406 -5.866 1.00 64.24 H new ATOM 0 HA CYS A 57 -1.987 1.410 -7.851 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.152 1.378 -7.121 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.330 1.535 -5.581 1.00 44.32 H new ATOM 850 N ARG A 58 -3.215 3.377 -9.172 1.00 31.41 N ATOM 851 CA ARG A 58 -3.415 4.445 -10.141 1.00 62.35 C ATOM 852 C ARG A 58 -4.506 5.400 -9.671 1.00 33.04 C ATOM 853 O ARG A 58 -5.638 4.987 -9.420 1.00 54.43 O ATOM 854 CB ARG A 58 -3.778 3.867 -11.512 1.00 21.10 C ATOM 855 CG ARG A 58 -3.139 2.517 -11.801 1.00 44.23 C ATOM 856 CD ARG A 58 -3.536 1.996 -13.172 1.00 3.11 C ATOM 857 NE ARG A 58 -2.530 2.300 -14.187 1.00 31.04 N ATOM 858 CZ ARG A 58 -2.765 2.267 -15.496 1.00 14.44 C ATOM 859 NH1 ARG A 58 -3.967 1.941 -15.954 1.00 70.32 N ATOM 860 NH2 ARG A 58 -1.793 2.558 -16.351 1.00 52.21 N ATOM 0 H ARG A 58 -3.813 2.562 -9.311 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.481 5.000 -10.231 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -4.861 3.767 -11.578 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -3.476 4.574 -12.285 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.054 2.607 -11.745 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -3.439 1.800 -11.037 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -3.684 0.917 -13.121 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.490 2.435 -13.464 1.00 3.11 H new ATOM 0 HE ARG A 58 -1.593 2.552 -13.874 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -4.717 1.714 -15.301 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -4.141 1.918 -16.959 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -0.866 2.807 -16.004 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -1.972 2.533 -17.355 1.00 52.21 H new ATOM 874 N SER A 59 -4.158 6.676 -9.550 1.00 52.53 N ATOM 875 CA SER A 59 -5.108 7.688 -9.105 1.00 74.44 C ATOM 876 C SER A 59 -5.867 8.288 -10.287 1.00 41.43 C ATOM 877 O SER A 59 -6.964 8.823 -10.124 1.00 4.30 O ATOM 878 CB SER A 59 -4.382 8.792 -8.334 1.00 45.24 C ATOM 879 OG SER A 59 -4.985 9.013 -7.070 1.00 1.43 O ATOM 0 H SER A 59 -3.225 7.034 -9.754 1.00 52.53 H new ATOM 0 HA SER A 59 -5.830 7.206 -8.445 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.336 8.518 -8.198 1.00 45.24 H new ATOM 0 HB3 SER A 59 -4.397 9.715 -8.914 1.00 45.24 H new ATOM 0 HG SER A 59 -4.374 9.527 -6.502 1.00 1.43 H new