USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=14 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= -0.141 X(o=-0.14,f=-0.0027) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -160:sc= 0.0961 USER MOD Single : A 38 THR OG1 : rot 155:sc= 1.09 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= -0.0428 (180deg=-0.128) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.977 X(o=-0.98,f=-0.67) USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= -0.0061 (180deg=-0.14) USER MOD Single : A 56 SER OG : rot 180:sc= -0.476 USER MOD Single : A 59 SER OG : rot 172:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 82 N PHE A 7 9.459 -9.226 2.576 1.00 12.34 N ATOM 83 CA PHE A 7 8.351 -9.208 1.628 1.00 72.33 C ATOM 84 C PHE A 7 7.059 -8.757 2.306 1.00 64.42 C ATOM 85 O PHE A 7 6.980 -8.699 3.533 1.00 12.34 O ATOM 86 CB PHE A 7 8.153 -10.592 0.997 1.00 10.32 C ATOM 87 CG PHE A 7 8.644 -11.728 1.851 1.00 63.12 C ATOM 88 CD1 PHE A 7 9.965 -12.142 1.785 1.00 51.23 C ATOM 89 CD2 PHE A 7 7.784 -12.382 2.719 1.00 14.34 C ATOM 90 CE1 PHE A 7 10.419 -13.186 2.568 1.00 21.01 C ATOM 91 CE2 PHE A 7 8.232 -13.426 3.505 1.00 1.23 C ATOM 92 CZ PHE A 7 9.551 -13.829 3.429 1.00 33.20 C ATOM 0 HA PHE A 7 8.599 -8.495 0.842 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.093 -10.738 0.791 1.00 10.32 H new ATOM 0 HB3 PHE A 7 8.671 -10.621 0.039 1.00 10.32 H new ATOM 0 HD1 PHE A 7 10.648 -11.643 1.114 1.00 51.23 H new ATOM 0 HD2 PHE A 7 6.751 -12.072 2.782 1.00 14.34 H new ATOM 0 HE1 PHE A 7 11.451 -13.499 2.507 1.00 21.01 H new ATOM 0 HE2 PHE A 7 7.552 -13.927 4.178 1.00 1.23 H new ATOM 0 HZ PHE A 7 9.903 -14.646 4.042 1.00 33.20 H new ATOM 102 N PRO A 8 6.026 -8.433 1.510 1.00 43.45 N ATOM 103 CA PRO A 8 4.736 -7.987 2.026 1.00 73.54 C ATOM 104 C PRO A 8 3.806 -9.153 2.332 1.00 53.23 C ATOM 105 O PRO A 8 4.232 -10.308 2.363 1.00 60.40 O ATOM 106 CB PRO A 8 4.193 -7.165 0.862 1.00 63.11 C ATOM 107 CG PRO A 8 4.700 -7.874 -0.348 1.00 22.45 C ATOM 108 CD PRO A 8 6.032 -8.474 0.033 1.00 2.34 C ATOM 0 HA PRO A 8 4.821 -7.441 2.965 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.104 -7.126 0.875 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.549 -6.136 0.900 1.00 63.11 H new ATOM 0 HG2 PRO A 8 4.002 -8.649 -0.664 1.00 22.45 H new ATOM 0 HG3 PRO A 8 4.811 -7.184 -1.184 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.133 -9.494 -0.339 1.00 2.34 H new ATOM 0 HD3 PRO A 8 6.862 -7.901 -0.380 1.00 2.34 H new ATOM 116 N CYS A 9 2.530 -8.850 2.547 1.00 73.50 N ATOM 117 CA CYS A 9 1.544 -9.881 2.837 1.00 71.31 C ATOM 118 C CYS A 9 0.656 -10.133 1.622 1.00 50.22 C ATOM 119 O CYS A 9 0.130 -11.230 1.445 1.00 63.45 O ATOM 120 CB CYS A 9 0.688 -9.493 4.048 1.00 35.35 C ATOM 121 SG CYS A 9 -0.472 -8.116 3.750 1.00 61.45 S ATOM 0 H CYS A 9 2.157 -7.901 2.526 1.00 73.50 H new ATOM 0 HA CYS A 9 2.079 -10.801 3.074 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.120 -10.366 4.369 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.349 -9.222 4.871 1.00 35.35 H new ATOM 126 N TRP A 10 0.493 -9.110 0.787 1.00 35.33 N ATOM 127 CA TRP A 10 -0.332 -9.224 -0.409 1.00 21.04 C ATOM 128 C TRP A 10 0.328 -10.123 -1.450 1.00 44.23 C ATOM 129 O TRP A 10 -0.336 -10.627 -2.356 1.00 71.43 O ATOM 130 CB TRP A 10 -0.603 -7.842 -1.006 1.00 52.13 C ATOM 131 CG TRP A 10 0.626 -6.999 -1.166 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.151 -6.129 -0.254 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.475 -6.937 -2.315 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.277 -5.531 -0.767 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.498 -6.012 -2.031 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.472 -7.577 -3.555 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.505 -5.711 -2.945 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.472 -7.278 -4.462 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.476 -6.352 -4.153 1.00 22.11 C ATOM 0 H TRP A 10 0.922 -8.194 0.918 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.280 -9.677 -0.118 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -1.077 -7.964 -1.980 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.313 -7.315 -0.369 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.741 -5.939 0.727 1.00 32.30 H new ATOM 0 HE1 TRP A 10 2.854 -4.842 -0.285 1.00 32.22 H new ATOM 0 HE3 TRP A 10 0.702 -8.293 -3.802 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.280 -4.997 -2.709 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.479 -7.767 -5.425 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.243 -6.140 -4.883 1.00 22.11 H new ATOM 150 N LEU A 11 1.635 -10.320 -1.316 1.00 50.21 N ATOM 151 CA LEU A 11 2.377 -11.158 -2.248 1.00 53.45 C ATOM 152 C LEU A 11 2.202 -12.638 -1.917 1.00 25.11 C ATOM 153 O LEU A 11 2.390 -13.501 -2.774 1.00 5.44 O ATOM 154 CB LEU A 11 3.858 -10.780 -2.234 1.00 42.15 C ATOM 155 CG LEU A 11 4.220 -9.584 -3.113 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.690 -9.219 -2.947 1.00 40.54 C ATOM 157 CD2 LEU A 11 3.904 -9.885 -4.571 1.00 3.13 C ATOM 0 H LEU A 11 2.201 -9.911 -0.572 1.00 50.21 H new ATOM 0 HA LEU A 11 1.979 -10.988 -3.248 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.154 -10.562 -1.208 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.442 -11.642 -2.558 1.00 42.15 H new ATOM 0 HG LEU A 11 3.621 -8.730 -2.798 1.00 3.45 H new ATOM 0 HD11 LEU A 11 5.927 -8.365 -3.582 1.00 40.54 H new ATOM 0 HD12 LEU A 11 5.886 -8.963 -1.906 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.310 -10.068 -3.235 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.167 -9.024 -5.186 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.479 -10.752 -4.896 1.00 3.13 H new ATOM 0 HD23 LEU A 11 2.840 -10.095 -4.677 1.00 3.13 H new ATOM 169 N VAL A 12 1.838 -12.925 -0.670 1.00 72.05 N ATOM 170 CA VAL A 12 1.634 -14.302 -0.231 1.00 61.41 C ATOM 171 C VAL A 12 0.230 -14.507 0.341 1.00 70.23 C ATOM 172 O VAL A 12 -0.132 -15.618 0.729 1.00 21.03 O ATOM 173 CB VAL A 12 2.671 -14.711 0.831 1.00 12.31 C ATOM 174 CG1 VAL A 12 4.016 -15.001 0.182 1.00 64.41 C ATOM 175 CG2 VAL A 12 2.804 -13.632 1.896 1.00 31.11 C ATOM 0 H VAL A 12 1.679 -12.224 0.053 1.00 72.05 H new ATOM 0 HA VAL A 12 1.755 -14.931 -1.113 1.00 61.41 H new ATOM 0 HB VAL A 12 2.324 -15.624 1.316 1.00 12.31 H new ATOM 0 HG11 VAL A 12 4.736 -15.288 0.949 1.00 64.41 H new ATOM 0 HG12 VAL A 12 3.906 -15.814 -0.535 1.00 64.41 H new ATOM 0 HG13 VAL A 12 4.371 -14.109 -0.333 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.542 -13.941 2.637 1.00 31.11 H new ATOM 0 HG22 VAL A 12 3.125 -12.700 1.431 1.00 31.11 H new ATOM 0 HG23 VAL A 12 1.841 -13.482 2.384 1.00 31.11 H new ATOM 185 N GLU A 13 -0.558 -13.434 0.392 1.00 30.51 N ATOM 186 CA GLU A 13 -1.918 -13.505 0.917 1.00 62.23 C ATOM 187 C GLU A 13 -2.868 -12.660 0.078 1.00 71.05 C ATOM 188 O GLU A 13 -2.435 -11.870 -0.762 1.00 13.44 O ATOM 189 CB GLU A 13 -1.964 -13.015 2.369 1.00 35.34 C ATOM 190 CG GLU A 13 -1.014 -13.747 3.302 1.00 12.21 C ATOM 191 CD GLU A 13 -0.168 -12.806 4.136 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.689 -12.269 5.137 1.00 73.11 O ATOM 193 OE2 GLU A 13 1.014 -12.605 3.790 1.00 73.20 O ATOM 0 H GLU A 13 -0.277 -12.506 0.076 1.00 30.51 H new ATOM 0 HA GLU A 13 -2.232 -14.548 0.876 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.728 -11.951 2.390 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.981 -13.123 2.746 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.589 -14.394 3.964 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.360 -14.392 2.715 1.00 12.21 H new ATOM 200 N GLU A 14 -4.165 -12.816 0.324 1.00 64.30 N ATOM 201 CA GLU A 14 -5.173 -12.050 -0.395 1.00 13.44 C ATOM 202 C GLU A 14 -5.319 -10.671 0.232 1.00 41.45 C ATOM 203 O GLU A 14 -5.496 -10.551 1.443 1.00 52.02 O ATOM 204 CB GLU A 14 -6.516 -12.777 -0.376 1.00 52.51 C ATOM 205 CG GLU A 14 -6.413 -14.260 -0.692 1.00 60.12 C ATOM 206 CD GLU A 14 -5.658 -14.532 -1.978 1.00 4.11 C ATOM 207 OE1 GLU A 14 -5.552 -13.608 -2.812 1.00 61.43 O ATOM 208 OE2 GLU A 14 -5.174 -15.670 -2.153 1.00 13.01 O ATOM 0 H GLU A 14 -4.541 -13.465 1.015 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.854 -11.942 -1.432 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -6.971 -12.655 0.607 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -7.184 -12.306 -1.097 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -5.914 -14.769 0.132 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -7.415 -14.682 -0.767 1.00 60.12 H new ATOM 215 N PHE A 15 -5.233 -9.636 -0.591 1.00 62.02 N ATOM 216 CA PHE A 15 -5.342 -8.267 -0.099 1.00 62.31 C ATOM 217 C PHE A 15 -6.597 -7.579 -0.621 1.00 64.22 C ATOM 218 O PHE A 15 -7.156 -7.968 -1.646 1.00 62.13 O ATOM 219 CB PHE A 15 -4.095 -7.465 -0.486 1.00 15.21 C ATOM 220 CG PHE A 15 -4.092 -6.991 -1.913 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.787 -5.849 -2.277 1.00 11.34 C ATOM 222 CD2 PHE A 15 -3.393 -7.684 -2.887 1.00 73.42 C ATOM 223 CE1 PHE A 15 -4.784 -5.408 -3.586 1.00 35.01 C ATOM 224 CE2 PHE A 15 -3.387 -7.248 -4.199 1.00 0.35 C ATOM 225 CZ PHE A 15 -4.085 -6.108 -4.547 1.00 31.13 C ATOM 0 H PHE A 15 -5.089 -9.715 -1.598 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.417 -8.310 0.988 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -4.012 -6.601 0.173 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.212 -8.081 -0.317 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.337 -5.298 -1.529 1.00 11.34 H new ATOM 0 HD2 PHE A 15 -2.846 -8.576 -2.619 1.00 73.42 H new ATOM 0 HE1 PHE A 15 -5.329 -4.516 -3.857 1.00 35.01 H new ATOM 0 HE2 PHE A 15 -2.838 -7.797 -4.950 1.00 0.35 H new ATOM 0 HZ PHE A 15 -4.083 -5.765 -5.571 1.00 31.13 H new ATOM 235 N VAL A 16 -7.028 -6.550 0.098 1.00 2.41 N ATOM 236 CA VAL A 16 -8.211 -5.793 -0.278 1.00 31.43 C ATOM 237 C VAL A 16 -7.984 -4.298 -0.090 1.00 22.11 C ATOM 238 O VAL A 16 -7.768 -3.832 1.029 1.00 75.14 O ATOM 239 CB VAL A 16 -9.439 -6.219 0.547 1.00 42.12 C ATOM 240 CG1 VAL A 16 -9.971 -7.559 0.065 1.00 43.11 C ATOM 241 CG2 VAL A 16 -9.094 -6.276 2.028 1.00 44.24 C ATOM 0 H VAL A 16 -6.572 -6.221 0.949 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.400 -6.004 -1.331 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.222 -5.474 0.407 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.839 -7.842 0.661 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.261 -7.480 -0.983 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.195 -8.318 0.171 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.974 -6.579 2.595 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.293 -6.998 2.188 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.767 -5.292 2.364 1.00 44.24 H new ATOM 251 N VAL A 17 -8.031 -3.549 -1.187 1.00 45.11 N ATOM 252 CA VAL A 17 -7.827 -2.107 -1.130 1.00 30.33 C ATOM 253 C VAL A 17 -8.854 -1.443 -0.220 1.00 63.52 C ATOM 254 O VAL A 17 -9.953 -1.098 -0.655 1.00 3.11 O ATOM 255 CB VAL A 17 -7.910 -1.466 -2.528 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.479 -0.008 -2.474 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.062 -2.245 -3.524 1.00 3.11 C ATOM 0 H VAL A 17 -8.208 -3.915 -2.122 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.827 -1.948 -0.727 1.00 30.33 H new ATOM 0 HB VAL A 17 -8.947 -1.501 -2.863 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.544 0.428 -3.471 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.133 0.540 -1.795 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.451 0.055 -2.117 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.133 -1.778 -4.506 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.023 -2.244 -3.196 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.423 -3.272 -3.584 1.00 3.11 H new ATOM 267 N ALA A 18 -8.486 -1.260 1.043 1.00 24.25 N ATOM 268 CA ALA A 18 -9.372 -0.630 2.013 1.00 24.50 C ATOM 269 C ALA A 18 -9.231 0.886 1.968 1.00 10.51 C ATOM 270 O ALA A 18 -10.166 1.620 2.288 1.00 72.45 O ATOM 271 CB ALA A 18 -9.081 -1.151 3.413 1.00 51.34 C ATOM 0 H ALA A 18 -7.580 -1.539 1.419 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.400 -0.884 1.754 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.751 -0.671 4.126 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.236 -2.230 3.439 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -8.048 -0.926 3.677 1.00 51.34 H new ATOM 277 N GLU A 19 -8.051 1.347 1.565 1.00 44.14 N ATOM 278 CA GLU A 19 -7.776 2.774 1.471 1.00 31.20 C ATOM 279 C GLU A 19 -7.073 3.099 0.159 1.00 13.33 C ATOM 280 O GLU A 19 -5.914 2.737 -0.039 1.00 51.44 O ATOM 281 CB GLU A 19 -6.908 3.223 2.649 1.00 2.32 C ATOM 282 CG GLU A 19 -7.416 2.744 3.999 1.00 73.04 C ATOM 283 CD GLU A 19 -7.577 3.875 4.998 1.00 2.05 C ATOM 284 OE1 GLU A 19 -6.573 4.246 5.640 1.00 12.41 O ATOM 285 OE2 GLU A 19 -8.707 4.388 5.137 1.00 60.55 O ATOM 0 H GLU A 19 -7.269 0.750 1.298 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.725 3.309 1.501 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -5.892 2.856 2.502 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -6.855 4.312 2.656 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.375 2.243 3.865 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -6.724 2.004 4.402 1.00 73.04 H new ATOM 292 N GLU A 20 -7.777 3.787 -0.737 1.00 40.43 N ATOM 293 CA GLU A 20 -7.209 4.160 -2.029 1.00 21.44 C ATOM 294 C GLU A 20 -5.835 4.795 -1.846 1.00 4.42 C ATOM 295 O GLU A 20 -5.521 5.317 -0.777 1.00 22.04 O ATOM 296 CB GLU A 20 -8.141 5.122 -2.763 1.00 70.02 C ATOM 297 CG GLU A 20 -9.476 4.505 -3.146 1.00 42.32 C ATOM 298 CD GLU A 20 -10.586 4.872 -2.181 1.00 42.34 C ATOM 299 OE1 GLU A 20 -11.160 5.971 -2.328 1.00 64.14 O ATOM 300 OE2 GLU A 20 -10.881 4.061 -1.279 1.00 12.54 O ATOM 0 H GLU A 20 -8.738 4.096 -0.592 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.097 3.256 -2.628 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -8.321 5.993 -2.132 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -7.644 5.479 -3.665 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -9.749 4.832 -4.149 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -9.374 3.420 -3.181 1.00 42.32 H new ATOM 307 N CYS A 21 -5.011 4.735 -2.886 1.00 30.53 N ATOM 308 CA CYS A 21 -3.668 5.293 -2.813 1.00 64.42 C ATOM 309 C CYS A 21 -3.684 6.806 -2.989 1.00 40.01 C ATOM 310 O CYS A 21 -4.464 7.346 -3.774 1.00 62.45 O ATOM 311 CB CYS A 21 -2.749 4.641 -3.848 1.00 45.44 C ATOM 312 SG CYS A 21 -3.131 5.056 -5.578 1.00 71.30 S ATOM 0 H CYS A 21 -5.247 4.309 -3.782 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.276 5.076 -1.819 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.721 4.936 -3.637 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.801 3.559 -3.729 1.00 45.44 H new ATOM 317 N SER A 22 -2.819 7.482 -2.240 1.00 65.32 N ATOM 318 CA SER A 22 -2.728 8.937 -2.296 1.00 10.12 C ATOM 319 C SER A 22 -1.275 9.400 -2.356 1.00 65.14 C ATOM 320 O SER A 22 -0.357 8.632 -2.070 1.00 32.50 O ATOM 321 CB SER A 22 -3.426 9.559 -1.085 1.00 25.22 C ATOM 322 OG SER A 22 -4.784 9.845 -1.368 1.00 65.11 O ATOM 0 H SER A 22 -2.170 7.045 -1.586 1.00 65.32 H new ATOM 0 HA SER A 22 -3.227 9.268 -3.207 1.00 10.12 H new ATOM 0 HB2 SER A 22 -3.364 8.877 -0.237 1.00 25.22 H new ATOM 0 HB3 SER A 22 -2.911 10.475 -0.796 1.00 25.22 H new ATOM 0 HG SER A 22 -5.207 10.240 -0.577 1.00 65.11 H new ATOM 328 N PRO A 23 -1.053 10.673 -2.730 1.00 12.03 N ATOM 329 CA PRO A 23 0.291 11.249 -2.837 1.00 21.13 C ATOM 330 C PRO A 23 1.171 10.934 -1.631 1.00 45.21 C ATOM 331 O PRO A 23 0.675 10.632 -0.545 1.00 51.53 O ATOM 332 CB PRO A 23 0.019 12.750 -2.923 1.00 35.35 C ATOM 333 CG PRO A 23 -1.322 12.847 -3.563 1.00 55.13 C ATOM 334 CD PRO A 23 -2.100 11.653 -3.080 1.00 54.30 C ATOM 0 HA PRO A 23 0.838 10.845 -3.689 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.022 13.212 -1.936 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.780 13.258 -3.515 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.820 13.776 -3.285 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.237 12.844 -4.650 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.721 11.901 -2.219 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.766 11.269 -3.853 1.00 54.30 H new ATOM 342 N CYS A 24 2.481 11.008 -1.837 1.00 64.21 N ATOM 343 CA CYS A 24 3.445 10.733 -0.778 1.00 41.12 C ATOM 344 C CYS A 24 4.225 11.993 -0.416 1.00 42.30 C ATOM 345 O CYS A 24 4.903 12.580 -1.259 1.00 75.22 O ATOM 346 CB CYS A 24 4.410 9.632 -1.222 1.00 22.43 C ATOM 347 SG CYS A 24 3.598 8.053 -1.624 1.00 62.54 S ATOM 0 H CYS A 24 2.901 11.257 -2.732 1.00 64.21 H new ATOM 0 HA CYS A 24 2.900 10.399 0.105 1.00 41.12 H new ATOM 0 HB2 CYS A 24 4.962 9.978 -2.096 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.140 9.462 -0.431 1.00 22.43 H new ATOM 352 N SER A 25 4.123 12.407 0.844 1.00 62.44 N ATOM 353 CA SER A 25 4.818 13.599 1.318 1.00 2.22 C ATOM 354 C SER A 25 6.312 13.519 1.019 1.00 70.25 C ATOM 355 O SER A 25 6.782 12.559 0.409 1.00 14.45 O ATOM 356 CB SER A 25 4.597 13.779 2.821 1.00 74.44 C ATOM 357 OG SER A 25 3.232 14.032 3.111 1.00 60.02 O ATOM 0 H SER A 25 3.565 11.934 1.555 1.00 62.44 H new ATOM 0 HA SER A 25 4.408 14.460 0.790 1.00 2.22 H new ATOM 0 HB2 SER A 25 4.924 12.883 3.349 1.00 74.44 H new ATOM 0 HB3 SER A 25 5.208 14.605 3.185 1.00 74.44 H new ATOM 0 HG SER A 25 3.118 14.141 4.078 1.00 60.02 H new ATOM 363 N ASN A 26 7.053 14.535 1.452 1.00 2.45 N ATOM 364 CA ASN A 26 8.494 14.580 1.231 1.00 61.34 C ATOM 365 C ASN A 26 9.179 13.360 1.838 1.00 52.52 C ATOM 366 O ASN A 26 10.155 12.847 1.292 1.00 3.14 O ATOM 367 CB ASN A 26 9.082 15.859 1.827 1.00 2.43 C ATOM 368 CG ASN A 26 9.031 17.026 0.860 1.00 24.53 C ATOM 369 OD1 ASN A 26 8.435 18.063 1.151 1.00 4.30 O ATOM 370 ND2 ASN A 26 9.659 16.861 -0.298 1.00 71.53 N ATOM 0 H ASN A 26 6.679 15.338 1.958 1.00 2.45 H new ATOM 0 HA ASN A 26 8.671 14.573 0.155 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.536 16.118 2.734 1.00 2.43 H new ATOM 0 HB3 ASN A 26 10.116 15.678 2.119 1.00 2.43 H new ATOM 0 HD21 ASN A 26 9.660 17.611 -0.989 1.00 71.53 H new ATOM 0 HD22 ASN A 26 10.140 15.984 -0.497 1.00 71.53 H new ATOM 377 N PHE A 27 8.657 12.898 2.971 1.00 41.14 N ATOM 378 CA PHE A 27 9.219 11.738 3.653 1.00 41.32 C ATOM 379 C PHE A 27 8.444 10.472 3.299 1.00 71.23 C ATOM 380 O PHE A 27 8.998 9.373 3.301 1.00 42.14 O ATOM 381 CB PHE A 27 9.203 11.953 5.167 1.00 24.41 C ATOM 382 CG PHE A 27 10.433 12.639 5.688 1.00 14.35 C ATOM 383 CD1 PHE A 27 11.611 11.933 5.871 1.00 4.42 C ATOM 384 CD2 PHE A 27 10.411 13.991 5.995 1.00 64.20 C ATOM 385 CE1 PHE A 27 12.745 12.562 6.350 1.00 72.30 C ATOM 386 CE2 PHE A 27 11.541 14.624 6.475 1.00 5.30 C ATOM 387 CZ PHE A 27 12.710 13.908 6.653 1.00 64.12 C ATOM 0 H PHE A 27 7.847 13.309 3.435 1.00 41.14 H new ATOM 0 HA PHE A 27 10.250 11.617 3.322 1.00 41.32 H new ATOM 0 HB2 PHE A 27 8.327 12.544 5.433 1.00 24.41 H new ATOM 0 HB3 PHE A 27 9.098 10.988 5.662 1.00 24.41 H new ATOM 0 HD1 PHE A 27 11.644 10.879 5.637 1.00 4.42 H new ATOM 0 HD2 PHE A 27 9.500 14.555 5.857 1.00 64.20 H new ATOM 0 HE1 PHE A 27 13.657 12.001 6.487 1.00 72.30 H new ATOM 0 HE2 PHE A 27 11.511 15.677 6.711 1.00 5.30 H new ATOM 0 HZ PHE A 27 13.594 14.401 7.029 1.00 64.12 H new ATOM 397 N ARG A 28 7.160 10.634 2.997 1.00 22.22 N ATOM 398 CA ARG A 28 6.308 9.504 2.643 1.00 53.32 C ATOM 399 C ARG A 28 6.856 8.769 1.422 1.00 23.30 C ATOM 400 O ARG A 28 6.881 7.539 1.386 1.00 30.43 O ATOM 401 CB ARG A 28 4.881 9.980 2.370 1.00 15.32 C ATOM 402 CG ARG A 28 3.817 8.955 2.725 1.00 53.34 C ATOM 403 CD ARG A 28 4.056 7.634 2.010 1.00 33.12 C ATOM 404 NE ARG A 28 4.868 6.719 2.810 1.00 10.41 N ATOM 405 CZ ARG A 28 4.436 6.119 3.917 1.00 5.44 C ATOM 406 NH1 ARG A 28 3.203 6.334 4.359 1.00 3.24 N ATOM 407 NH2 ARG A 28 5.239 5.301 4.583 1.00 51.31 N ATOM 0 H ARG A 28 6.686 11.537 2.990 1.00 22.22 H new ATOM 0 HA ARG A 28 6.297 8.812 3.485 1.00 53.32 H new ATOM 0 HB2 ARG A 28 4.697 10.893 2.937 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.788 10.236 1.315 1.00 15.32 H new ATOM 0 HG2 ARG A 28 3.813 8.791 3.803 1.00 53.34 H new ATOM 0 HG3 ARG A 28 2.834 9.342 2.458 1.00 53.34 H new ATOM 0 HD2 ARG A 28 3.098 7.166 1.784 1.00 33.12 H new ATOM 0 HD3 ARG A 28 4.552 7.821 1.058 1.00 33.12 H new ATOM 0 HE ARG A 28 5.822 6.529 2.502 1.00 10.41 H new ATOM 0 HH11 ARG A 28 2.581 6.962 3.850 1.00 3.24 H new ATOM 0 HH12 ARG A 28 2.878 5.871 5.208 1.00 3.24 H new ATOM 0 HH21 ARG A 28 6.187 5.132 4.247 1.00 51.31 H new ATOM 0 HH22 ARG A 28 4.909 4.841 5.431 1.00 51.31 H new ATOM 421 N ALA A 29 7.293 9.531 0.424 1.00 64.15 N ATOM 422 CA ALA A 29 7.838 8.951 -0.799 1.00 43.54 C ATOM 423 C ALA A 29 9.321 8.627 -0.641 1.00 41.43 C ATOM 424 O ALA A 29 9.794 7.593 -1.115 1.00 0.32 O ATOM 425 CB ALA A 29 7.622 9.895 -1.972 1.00 22.10 C ATOM 0 H ALA A 29 7.280 10.551 0.438 1.00 64.15 H new ATOM 0 HA ALA A 29 7.310 8.018 -0.996 1.00 43.54 H new ATOM 0 HB1 ALA A 29 8.033 9.450 -2.878 1.00 22.10 H new ATOM 0 HB2 ALA A 29 6.555 10.070 -2.106 1.00 22.10 H new ATOM 0 HB3 ALA A 29 8.123 10.842 -1.774 1.00 22.10 H new ATOM 431 N LYS A 30 10.049 9.517 0.022 1.00 63.32 N ATOM 432 CA LYS A 30 11.478 9.328 0.239 1.00 21.21 C ATOM 433 C LYS A 30 11.758 8.027 0.990 1.00 71.31 C ATOM 434 O LYS A 30 12.862 7.488 0.923 1.00 20.25 O ATOM 435 CB LYS A 30 12.058 10.512 1.016 1.00 54.31 C ATOM 436 CG LYS A 30 13.577 10.522 1.066 1.00 43.22 C ATOM 437 CD LYS A 30 14.116 11.923 1.305 1.00 73.04 C ATOM 438 CE LYS A 30 15.374 12.181 0.492 1.00 54.22 C ATOM 439 NZ LYS A 30 15.916 13.548 0.726 1.00 13.54 N ATOM 0 H LYS A 30 9.673 10.378 0.419 1.00 63.32 H new ATOM 0 HA LYS A 30 11.958 9.268 -0.738 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.712 11.440 0.560 1.00 54.31 H new ATOM 0 HB3 LYS A 30 11.669 10.493 2.034 1.00 54.31 H new ATOM 0 HG2 LYS A 30 13.921 9.858 1.859 1.00 43.22 H new ATOM 0 HG3 LYS A 30 13.976 10.132 0.129 1.00 43.22 H new ATOM 0 HD2 LYS A 30 13.354 12.657 1.042 1.00 73.04 H new ATOM 0 HD3 LYS A 30 14.333 12.055 2.365 1.00 73.04 H new ATOM 0 HE2 LYS A 30 16.131 11.441 0.751 1.00 54.22 H new ATOM 0 HE3 LYS A 30 15.154 12.054 -0.568 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 16.773 13.684 0.153 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 15.203 14.255 0.455 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 16.151 13.661 1.733 1.00 13.54 H new ATOM 453 N THR A 31 10.754 7.530 1.708 1.00 61.53 N ATOM 454 CA THR A 31 10.902 6.296 2.471 1.00 13.24 C ATOM 455 C THR A 31 10.247 5.120 1.753 1.00 42.45 C ATOM 456 O THR A 31 10.775 4.008 1.753 1.00 34.10 O ATOM 457 CB THR A 31 10.294 6.459 3.865 1.00 11.02 C ATOM 458 OG1 THR A 31 10.540 5.310 4.656 1.00 32.44 O ATOM 459 CG2 THR A 31 8.799 6.690 3.845 1.00 22.32 C ATOM 0 H THR A 31 9.833 7.962 1.777 1.00 61.53 H new ATOM 0 HA THR A 31 11.968 6.087 2.566 1.00 13.24 H new ATOM 0 HB THR A 31 10.775 7.341 4.287 1.00 11.02 H new ATOM 0 HG1 THR A 31 10.145 5.434 5.544 1.00 32.44 H new ATOM 0 HG21 THR A 31 8.434 6.797 4.866 1.00 22.32 H new ATOM 0 HG22 THR A 31 8.579 7.598 3.284 1.00 22.32 H new ATOM 0 HG23 THR A 31 8.306 5.842 3.370 1.00 22.32 H new ATOM 467 N THR A 32 9.092 5.369 1.145 1.00 45.15 N ATOM 468 CA THR A 32 8.366 4.326 0.429 1.00 43.11 C ATOM 469 C THR A 32 8.721 4.329 -1.059 1.00 2.54 C ATOM 470 O THR A 32 8.681 5.373 -1.709 1.00 63.31 O ATOM 471 CB THR A 32 6.857 4.515 0.604 1.00 61.10 C ATOM 472 OG1 THR A 32 6.508 4.505 1.976 1.00 32.05 O ATOM 473 CG2 THR A 32 6.036 3.447 -0.087 1.00 2.45 C ATOM 0 H THR A 32 8.639 6.283 1.134 1.00 45.15 H new ATOM 0 HA THR A 32 8.659 3.364 0.850 1.00 43.11 H new ATOM 0 HB THR A 32 6.630 5.477 0.145 1.00 61.10 H new ATOM 0 HG1 THR A 32 5.552 4.308 2.069 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.976 3.640 0.077 1.00 2.45 H new ATOM 0 HG22 THR A 32 6.247 3.461 -1.156 1.00 2.45 H new ATOM 0 HG23 THR A 32 6.294 2.469 0.321 1.00 2.45 H new ATOM 481 N PRO A 33 9.073 3.156 -1.619 1.00 11.43 N ATOM 482 CA PRO A 33 9.431 3.034 -3.034 1.00 45.13 C ATOM 483 C PRO A 33 8.208 3.005 -3.945 1.00 31.43 C ATOM 484 O PRO A 33 8.308 3.271 -5.143 1.00 12.40 O ATOM 485 CB PRO A 33 10.167 1.698 -3.084 1.00 10.30 C ATOM 486 CG PRO A 33 9.540 0.887 -2.005 1.00 12.03 C ATOM 487 CD PRO A 33 9.147 1.857 -0.920 1.00 41.42 C ATOM 0 HA PRO A 33 10.020 3.881 -3.385 1.00 45.13 H new ATOM 0 HB2 PRO A 33 10.055 1.219 -4.057 1.00 10.30 H new ATOM 0 HB3 PRO A 33 11.236 1.827 -2.914 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.669 0.349 -2.379 1.00 12.03 H new ATOM 0 HG3 PRO A 33 10.237 0.140 -1.625 1.00 12.03 H new ATOM 0 HD2 PRO A 33 8.191 1.589 -0.471 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.882 1.877 -0.116 1.00 41.42 H new ATOM 495 N GLU A 34 7.053 2.680 -3.370 1.00 11.32 N ATOM 496 CA GLU A 34 5.809 2.615 -4.130 1.00 53.25 C ATOM 497 C GLU A 34 5.430 3.983 -4.697 1.00 10.23 C ATOM 498 O GLU A 34 4.582 4.082 -5.583 1.00 54.24 O ATOM 499 CB GLU A 34 4.677 2.087 -3.247 1.00 63.21 C ATOM 500 CG GLU A 34 4.563 0.571 -3.247 1.00 20.42 C ATOM 501 CD GLU A 34 5.354 -0.073 -2.126 1.00 61.21 C ATOM 502 OE1 GLU A 34 5.304 0.445 -0.990 1.00 71.10 O ATOM 503 OE2 GLU A 34 6.023 -1.097 -2.383 1.00 20.23 O ATOM 0 H GLU A 34 6.953 2.458 -2.380 1.00 11.32 H new ATOM 0 HA GLU A 34 5.965 1.932 -4.965 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.834 2.431 -2.225 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.733 2.514 -3.586 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.514 0.289 -3.155 1.00 20.42 H new ATOM 0 HG3 GLU A 34 4.914 0.184 -4.203 1.00 20.42 H new ATOM 510 N CYS A 35 6.060 5.037 -4.180 1.00 34.03 N ATOM 511 CA CYS A 35 5.782 6.394 -4.637 1.00 51.31 C ATOM 512 C CYS A 35 6.733 6.804 -5.761 1.00 2.43 C ATOM 513 O CYS A 35 6.991 7.990 -5.964 1.00 20.32 O ATOM 514 CB CYS A 35 5.904 7.376 -3.471 1.00 24.41 C ATOM 515 SG CYS A 35 5.153 6.784 -1.921 1.00 51.41 S ATOM 0 H CYS A 35 6.765 4.976 -3.446 1.00 34.03 H new ATOM 0 HA CYS A 35 4.764 6.417 -5.025 1.00 51.31 H new ATOM 0 HB2 CYS A 35 6.959 7.585 -3.295 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.435 8.319 -3.753 1.00 24.41 H new ATOM 520 N GLY A 36 7.258 5.818 -6.482 1.00 63.22 N ATOM 521 CA GLY A 36 8.180 6.101 -7.567 1.00 52.33 C ATOM 522 C GLY A 36 7.500 6.196 -8.923 1.00 55.01 C ATOM 523 O GLY A 36 7.742 7.144 -9.671 1.00 64.32 O ATOM 0 H GLY A 36 7.061 4.828 -6.334 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.697 7.038 -7.361 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.939 5.320 -7.603 1.00 52.33 H new ATOM 527 N PRO A 37 6.647 5.219 -9.281 1.00 73.14 N ATOM 528 CA PRO A 37 5.955 5.212 -10.568 1.00 23.15 C ATOM 529 C PRO A 37 4.679 6.048 -10.562 1.00 63.30 C ATOM 530 O PRO A 37 4.459 6.865 -11.456 1.00 0.41 O ATOM 531 CB PRO A 37 5.630 3.734 -10.767 1.00 62.32 C ATOM 532 CG PRO A 37 5.460 3.187 -9.388 1.00 11.42 C ATOM 533 CD PRO A 37 6.299 4.040 -8.466 1.00 1.33 C ATOM 0 HA PRO A 37 6.561 5.649 -11.362 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.723 3.605 -11.357 1.00 62.32 H new ATOM 0 HB3 PRO A 37 6.432 3.222 -11.299 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.412 3.213 -9.090 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.778 2.145 -9.345 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.745 4.324 -7.571 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.191 3.509 -8.133 1.00 1.33 H new ATOM 541 N THR A 38 3.839 5.841 -9.554 1.00 72.51 N ATOM 542 CA THR A 38 2.584 6.578 -9.443 1.00 5.33 C ATOM 543 C THR A 38 2.702 7.712 -8.435 1.00 31.43 C ATOM 544 O THR A 38 2.088 8.766 -8.598 1.00 73.30 O ATOM 545 CB THR A 38 1.443 5.644 -9.021 1.00 71.42 C ATOM 546 OG1 THR A 38 0.333 6.389 -8.553 1.00 73.30 O ATOM 547 CG2 THR A 38 1.833 4.672 -7.929 1.00 44.04 C ATOM 0 H THR A 38 4.003 5.171 -8.803 1.00 72.51 H new ATOM 0 HA THR A 38 2.364 6.998 -10.424 1.00 5.33 H new ATOM 0 HB THR A 38 1.192 5.076 -9.917 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.486 5.863 -8.668 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.979 4.043 -7.680 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.656 4.047 -8.275 1.00 44.04 H new ATOM 0 HG23 THR A 38 2.146 5.226 -7.044 1.00 44.04 H new ATOM 555 N GLY A 39 3.470 7.480 -7.377 1.00 33.13 N ATOM 556 CA GLY A 39 3.621 8.482 -6.341 1.00 62.14 C ATOM 557 C GLY A 39 2.470 8.438 -5.350 1.00 14.14 C ATOM 558 O GLY A 39 2.454 9.176 -4.364 1.00 32.31 O ATOM 0 H GLY A 39 3.990 6.617 -7.219 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.562 8.323 -5.814 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.673 9.471 -6.795 1.00 62.14 H new ATOM 562 N TYR A 40 1.505 7.559 -5.622 1.00 12.43 N ATOM 563 CA TYR A 40 0.338 7.391 -4.770 1.00 72.12 C ATOM 564 C TYR A 40 0.370 6.013 -4.115 1.00 52.23 C ATOM 565 O TYR A 40 0.512 5.000 -4.801 1.00 63.24 O ATOM 566 CB TYR A 40 -0.938 7.541 -5.601 1.00 3.43 C ATOM 567 CG TYR A 40 -1.212 8.956 -6.067 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.240 9.693 -6.734 1.00 71.14 C ATOM 569 CD2 TYR A 40 -2.447 9.552 -5.844 1.00 11.45 C ATOM 570 CE1 TYR A 40 -0.492 10.983 -7.164 1.00 4.45 C ATOM 571 CE2 TYR A 40 -2.707 10.840 -6.273 1.00 41.14 C ATOM 572 CZ TYR A 40 -1.726 11.550 -6.932 1.00 61.44 C ATOM 573 OH TYR A 40 -1.981 12.833 -7.359 1.00 3.50 O ATOM 0 H TYR A 40 1.514 6.947 -6.438 1.00 12.43 H new ATOM 0 HA TYR A 40 0.350 8.156 -3.994 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.869 6.890 -6.473 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.786 7.194 -5.010 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.728 9.251 -6.919 1.00 71.14 H new ATOM 0 HD2 TYR A 40 -3.217 8.999 -5.327 1.00 11.45 H new ATOM 0 HE1 TYR A 40 0.275 11.543 -7.679 1.00 4.45 H new ATOM 0 HE2 TYR A 40 -3.673 11.288 -6.093 1.00 41.14 H new ATOM 0 HH TYR A 40 -2.898 13.082 -7.118 1.00 3.50 H new ATOM 583 N VAL A 41 0.249 5.969 -2.790 1.00 42.43 N ATOM 584 CA VAL A 41 0.277 4.696 -2.076 1.00 62.13 C ATOM 585 C VAL A 41 -1.030 4.418 -1.340 1.00 74.32 C ATOM 586 O VAL A 41 -1.524 5.252 -0.582 1.00 3.13 O ATOM 587 CB VAL A 41 1.438 4.638 -1.070 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.774 4.720 -1.790 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.309 5.747 -0.036 1.00 64.44 C ATOM 0 H VAL A 41 0.132 6.790 -2.196 1.00 42.43 H new ATOM 0 HA VAL A 41 0.419 3.929 -2.838 1.00 62.13 H new ATOM 0 HB VAL A 41 1.393 3.682 -0.548 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.583 4.677 -1.061 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.866 3.884 -2.483 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.833 5.658 -2.343 1.00 2.21 H new ATOM 0 HG21 VAL A 41 2.140 5.688 0.666 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.325 6.715 -0.537 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.369 5.633 0.504 1.00 64.44 H new ATOM 599 N GLU A 42 -1.579 3.228 -1.575 1.00 61.52 N ATOM 600 CA GLU A 42 -2.830 2.802 -0.950 1.00 3.23 C ATOM 601 C GLU A 42 -2.567 1.939 0.280 1.00 23.24 C ATOM 602 O GLU A 42 -1.420 1.631 0.603 1.00 50.54 O ATOM 603 CB GLU A 42 -3.678 2.014 -1.956 1.00 62.53 C ATOM 604 CG GLU A 42 -2.879 1.004 -2.762 1.00 13.02 C ATOM 605 CD GLU A 42 -3.541 -0.358 -2.814 1.00 72.20 C ATOM 606 OE1 GLU A 42 -4.787 -0.411 -2.894 1.00 31.14 O ATOM 607 OE2 GLU A 42 -2.814 -1.373 -2.774 1.00 2.41 O ATOM 0 H GLU A 42 -1.171 2.534 -2.202 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.369 3.696 -0.636 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.472 1.493 -1.421 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.160 2.713 -2.640 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.747 1.378 -3.777 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -1.884 0.904 -2.327 1.00 13.02 H new ATOM 614 N LYS A 43 -3.642 1.546 0.954 1.00 11.22 N ATOM 615 CA LYS A 43 -3.541 0.709 2.144 1.00 62.41 C ATOM 616 C LYS A 43 -4.364 -0.564 1.976 1.00 53.12 C ATOM 617 O LYS A 43 -5.573 -0.573 2.215 1.00 1.11 O ATOM 618 CB LYS A 43 -4.012 1.480 3.380 1.00 42.13 C ATOM 619 CG LYS A 43 -3.107 1.302 4.589 1.00 13.50 C ATOM 620 CD LYS A 43 -3.542 2.185 5.748 1.00 11.04 C ATOM 621 CE LYS A 43 -3.586 1.410 7.055 1.00 11.11 C ATOM 622 NZ LYS A 43 -4.675 0.394 7.062 1.00 54.40 N ATOM 0 H LYS A 43 -4.597 1.795 0.695 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.496 0.432 2.280 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.073 2.540 3.135 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -5.019 1.154 3.639 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.118 0.258 4.902 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.080 1.541 4.314 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -2.854 3.025 5.845 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.527 2.603 5.538 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -2.628 0.916 7.217 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -3.731 2.103 7.883 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -4.315 -0.498 7.457 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -5.465 0.736 7.645 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -5.006 0.233 6.089 1.00 54.40 H new ATOM 636 N ILE A 44 -3.702 -1.636 1.555 1.00 32.43 N ATOM 637 CA ILE A 44 -4.367 -2.917 1.346 1.00 61.52 C ATOM 638 C ILE A 44 -4.154 -3.854 2.530 1.00 63.40 C ATOM 639 O ILE A 44 -3.025 -4.062 2.975 1.00 33.33 O ATOM 640 CB ILE A 44 -3.861 -3.605 0.062 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.333 -3.562 -0.002 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.465 -2.942 -1.167 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.709 -4.868 -0.439 1.00 31.45 C ATOM 0 H ILE A 44 -2.703 -1.643 1.351 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.432 -2.707 1.246 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.175 -4.649 0.081 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -2.028 -2.775 -0.692 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -1.944 -3.294 0.980 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -4.098 -3.439 -2.065 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.551 -3.021 -1.126 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -4.178 -1.891 -1.191 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.624 -4.763 -0.461 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -1.983 -5.655 0.263 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.069 -5.128 -1.434 1.00 31.45 H new ATOM 655 N THR A 45 -5.248 -4.418 3.034 1.00 55.41 N ATOM 656 CA THR A 45 -5.185 -5.337 4.167 1.00 51.25 C ATOM 657 C THR A 45 -5.266 -6.784 3.695 1.00 40.22 C ATOM 658 O THR A 45 -5.983 -7.096 2.745 1.00 1.12 O ATOM 659 CB THR A 45 -6.320 -5.046 5.149 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.458 -3.651 5.357 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.123 -5.694 6.502 1.00 42.42 C ATOM 0 H THR A 45 -6.189 -4.255 2.676 1.00 55.41 H new ATOM 0 HA THR A 45 -4.230 -5.189 4.672 1.00 51.25 H new ATOM 0 HB THR A 45 -7.214 -5.468 4.689 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.190 -3.485 5.987 1.00 3.01 H new ATOM 0 HG21 THR A 45 -6.964 -5.447 7.150 1.00 42.42 H new ATOM 0 HG22 THR A 45 -6.063 -6.776 6.382 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.200 -5.327 6.950 1.00 42.42 H new ATOM 669 N CYS A 46 -4.526 -7.667 4.361 1.00 64.32 N ATOM 670 CA CYS A 46 -4.520 -9.079 3.999 1.00 13.53 C ATOM 671 C CYS A 46 -5.425 -9.889 4.917 1.00 55.44 C ATOM 672 O CYS A 46 -5.210 -9.944 6.127 1.00 70.35 O ATOM 673 CB CYS A 46 -3.098 -9.642 4.042 1.00 22.14 C ATOM 674 SG CYS A 46 -2.007 -8.978 2.739 1.00 51.55 S ATOM 0 H CYS A 46 -3.926 -7.430 5.151 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.903 -9.158 2.982 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.660 -9.425 5.016 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -3.143 -10.727 3.948 1.00 22.14 H new ATOM 679 N SER A 47 -6.431 -10.530 4.329 1.00 45.25 N ATOM 680 CA SER A 47 -7.363 -11.352 5.089 1.00 42.35 C ATOM 681 C SER A 47 -6.605 -12.333 5.974 1.00 14.03 C ATOM 682 O SER A 47 -7.088 -12.736 7.032 1.00 21.44 O ATOM 683 CB SER A 47 -8.291 -12.112 4.139 1.00 63.32 C ATOM 684 OG SER A 47 -9.065 -13.071 4.840 1.00 14.35 O ATOM 0 H SER A 47 -6.620 -10.495 3.327 1.00 45.25 H new ATOM 0 HA SER A 47 -7.963 -10.700 5.724 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.951 -11.409 3.630 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.701 -12.609 3.369 1.00 63.32 H new ATOM 0 HG SER A 47 -9.651 -13.542 4.211 1.00 14.35 H new ATOM 690 N SER A 48 -5.407 -12.704 5.532 1.00 3.45 N ATOM 691 CA SER A 48 -4.569 -13.624 6.282 1.00 4.33 C ATOM 692 C SER A 48 -3.741 -12.867 7.313 1.00 11.24 C ATOM 693 O SER A 48 -2.739 -12.234 6.982 1.00 45.14 O ATOM 694 CB SER A 48 -3.651 -14.402 5.336 1.00 32.31 C ATOM 695 OG SER A 48 -3.988 -15.779 5.318 1.00 44.11 O ATOM 0 H SER A 48 -4.997 -12.379 4.656 1.00 3.45 H new ATOM 0 HA SER A 48 -5.214 -14.332 6.803 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.729 -13.992 4.329 1.00 32.31 H new ATOM 0 HB3 SER A 48 -2.614 -14.282 5.650 1.00 32.31 H new ATOM 0 HG SER A 48 -3.389 -16.254 4.705 1.00 44.11 H new ATOM 701 N SER A 49 -4.186 -12.934 8.562 1.00 21.11 N ATOM 702 CA SER A 49 -3.519 -12.262 9.680 1.00 51.02 C ATOM 703 C SER A 49 -3.856 -10.774 9.713 1.00 25.33 C ATOM 704 O SER A 49 -3.246 -10.016 10.467 1.00 51.41 O ATOM 705 CB SER A 49 -1.996 -12.447 9.615 1.00 14.34 C ATOM 706 OG SER A 49 -1.554 -13.371 10.595 1.00 42.14 O ATOM 0 H SER A 49 -5.020 -13.455 8.833 1.00 21.11 H new ATOM 0 HA SER A 49 -3.888 -12.724 10.596 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.711 -12.799 8.624 1.00 14.34 H new ATOM 0 HB3 SER A 49 -1.503 -11.487 9.767 1.00 14.34 H new ATOM 0 HG SER A 49 -0.581 -13.474 10.533 1.00 42.14 H new ATOM 712 N LYS A 50 -4.823 -10.356 8.893 1.00 72.14 N ATOM 713 CA LYS A 50 -5.224 -8.953 8.833 1.00 20.52 C ATOM 714 C LYS A 50 -3.995 -8.051 8.854 1.00 2.24 C ATOM 715 O LYS A 50 -3.689 -7.422 9.867 1.00 33.43 O ATOM 716 CB LYS A 50 -6.148 -8.614 10.005 1.00 22.21 C ATOM 717 CG LYS A 50 -7.620 -8.586 9.630 1.00 61.25 C ATOM 718 CD LYS A 50 -7.961 -7.353 8.808 1.00 54.41 C ATOM 719 CE LYS A 50 -9.429 -7.338 8.410 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.798 -6.085 7.696 1.00 32.11 N ATOM 0 H LYS A 50 -5.341 -10.969 8.264 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.765 -8.786 7.902 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.998 -9.346 10.799 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.866 -7.642 10.410 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.870 -9.483 9.063 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -8.228 -8.601 10.535 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -7.729 -6.456 9.382 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -7.340 -7.328 7.913 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.641 -8.196 7.771 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -10.048 -7.444 9.301 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.806 -6.114 7.442 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.620 -5.268 8.314 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -9.226 -5.996 6.832 1.00 32.11 H new ATOM 734 N ARG A 51 -3.285 -8.011 7.734 1.00 1.11 N ATOM 735 CA ARG A 51 -2.078 -7.207 7.628 1.00 14.13 C ATOM 736 C ARG A 51 -2.222 -6.131 6.560 1.00 53.14 C ATOM 737 O ARG A 51 -2.495 -6.424 5.396 1.00 22.30 O ATOM 738 CB ARG A 51 -0.880 -8.109 7.325 1.00 42.52 C ATOM 739 CG ARG A 51 0.206 -8.058 8.387 1.00 52.54 C ATOM 740 CD ARG A 51 1.377 -8.958 8.029 1.00 73.22 C ATOM 741 NE ARG A 51 1.062 -10.370 8.224 1.00 64.03 N ATOM 742 CZ ARG A 51 1.825 -11.368 7.781 1.00 42.13 C ATOM 743 NH1 ARG A 51 2.946 -11.112 7.119 1.00 21.42 N ATOM 744 NH2 ARG A 51 1.464 -12.625 8.000 1.00 50.42 N ATOM 0 H ARG A 51 -3.525 -8.526 6.887 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.915 -6.704 8.581 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -1.227 -9.137 7.222 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.452 -7.819 6.365 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.556 -7.032 8.502 1.00 52.54 H new ATOM 0 HG3 ARG A 51 -0.208 -8.363 9.348 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.659 -8.790 6.990 1.00 73.22 H new ATOM 0 HD3 ARG A 51 2.239 -8.691 8.640 1.00 73.22 H new ATOM 0 HE ARG A 51 0.208 -10.606 8.729 1.00 64.03 H new ATOM 0 HH11 ARG A 51 3.228 -10.147 6.947 1.00 21.42 H new ATOM 0 HH12 ARG A 51 3.526 -11.880 6.782 1.00 21.42 H new ATOM 0 HH21 ARG A 51 0.603 -12.827 8.507 1.00 50.42 H new ATOM 0 HH22 ARG A 51 2.048 -13.390 7.661 1.00 50.42 H new ATOM 758 N ASN A 52 -2.037 -4.882 6.970 1.00 34.42 N ATOM 759 CA ASN A 52 -2.145 -3.749 6.057 1.00 23.12 C ATOM 760 C ASN A 52 -0.776 -3.363 5.508 1.00 31.12 C ATOM 761 O ASN A 52 0.125 -2.994 6.262 1.00 2.31 O ATOM 762 CB ASN A 52 -2.779 -2.552 6.767 1.00 20.24 C ATOM 763 CG ASN A 52 -1.956 -2.078 7.949 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.152 -1.154 7.830 1.00 5.34 O ATOM 765 ND2 ASN A 52 -2.153 -2.712 9.100 1.00 3.21 N ATOM 0 H ASN A 52 -1.811 -4.627 7.931 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.782 -4.045 5.223 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -2.896 -1.733 6.058 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -3.778 -2.823 7.109 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -1.627 -2.438 9.930 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -2.830 -3.473 9.154 1.00 3.21 H new ATOM 772 N GLU A 53 -0.629 -3.450 4.192 1.00 41.33 N ATOM 773 CA GLU A 53 0.629 -3.111 3.540 1.00 4.05 C ATOM 774 C GLU A 53 0.503 -1.808 2.759 1.00 61.35 C ATOM 775 O GLU A 53 -0.602 -1.363 2.447 1.00 75.32 O ATOM 776 CB GLU A 53 1.062 -4.241 2.604 1.00 12.24 C ATOM 777 CG GLU A 53 2.052 -5.208 3.233 1.00 2.20 C ATOM 778 CD GLU A 53 3.284 -4.509 3.777 1.00 62.15 C ATOM 779 OE1 GLU A 53 4.254 -4.333 3.009 1.00 35.21 O ATOM 780 OE2 GLU A 53 3.277 -4.138 4.969 1.00 30.34 O ATOM 0 H GLU A 53 -1.366 -3.753 3.555 1.00 41.33 H new ATOM 0 HA GLU A 53 1.386 -2.978 4.313 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.179 -4.795 2.284 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.508 -3.809 1.709 1.00 12.24 H new ATOM 0 HG2 GLU A 53 1.561 -5.751 4.040 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.355 -5.946 2.490 1.00 2.20 H new ATOM 787 N PHE A 54 1.642 -1.204 2.442 1.00 62.12 N ATOM 788 CA PHE A 54 1.661 0.046 1.691 1.00 52.31 C ATOM 789 C PHE A 54 1.936 -0.221 0.216 1.00 20.21 C ATOM 790 O PHE A 54 3.086 -0.372 -0.195 1.00 71.11 O ATOM 791 CB PHE A 54 2.722 0.991 2.259 1.00 31.23 C ATOM 792 CG PHE A 54 2.276 1.723 3.493 1.00 44.21 C ATOM 793 CD1 PHE A 54 1.500 2.866 3.394 1.00 60.55 C ATOM 794 CD2 PHE A 54 2.631 1.265 4.751 1.00 53.04 C ATOM 795 CE1 PHE A 54 1.088 3.541 4.527 1.00 31.14 C ATOM 796 CE2 PHE A 54 2.222 1.936 5.889 1.00 20.43 C ATOM 797 CZ PHE A 54 1.449 3.076 5.777 1.00 5.43 C ATOM 0 H PHE A 54 2.565 -1.559 2.693 1.00 62.12 H new ATOM 0 HA PHE A 54 0.683 0.517 1.784 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.620 0.418 2.491 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.996 1.718 1.494 1.00 31.23 H new ATOM 0 HD1 PHE A 54 1.214 3.234 2.420 1.00 60.55 H new ATOM 0 HD2 PHE A 54 3.234 0.374 4.844 1.00 53.04 H new ATOM 0 HE1 PHE A 54 0.484 4.432 4.436 1.00 31.14 H new ATOM 0 HE2 PHE A 54 2.506 1.569 6.864 1.00 20.43 H new ATOM 0 HZ PHE A 54 1.128 3.602 6.664 1.00 5.43 H new ATOM 807 N LYS A 55 0.870 -0.284 -0.574 1.00 44.01 N ATOM 808 CA LYS A 55 0.989 -0.540 -2.004 1.00 73.11 C ATOM 809 C LYS A 55 0.821 0.747 -2.805 1.00 63.12 C ATOM 810 O LYS A 55 0.544 1.804 -2.245 1.00 60.32 O ATOM 811 CB LYS A 55 -0.058 -1.567 -2.438 1.00 13.23 C ATOM 812 CG LYS A 55 0.506 -2.965 -2.630 1.00 41.25 C ATOM 813 CD LYS A 55 -0.271 -3.739 -3.681 1.00 62.10 C ATOM 814 CE LYS A 55 0.401 -3.655 -5.042 1.00 31.24 C ATOM 815 NZ LYS A 55 -0.080 -2.486 -5.828 1.00 13.13 N ATOM 0 H LYS A 55 -0.088 -0.161 -0.247 1.00 44.01 H new ATOM 0 HA LYS A 55 1.986 -0.936 -2.200 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.851 -1.603 -1.691 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.514 -1.237 -3.371 1.00 13.23 H new ATOM 0 HG2 LYS A 55 1.553 -2.899 -2.926 1.00 41.25 H new ATOM 0 HG3 LYS A 55 0.476 -3.504 -1.683 1.00 41.25 H new ATOM 0 HD2 LYS A 55 -0.354 -4.783 -3.379 1.00 62.10 H new ATOM 0 HD3 LYS A 55 -1.285 -3.345 -3.749 1.00 62.10 H new ATOM 0 HE2 LYS A 55 1.481 -3.584 -4.910 1.00 31.24 H new ATOM 0 HE3 LYS A 55 0.208 -4.572 -5.599 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -0.356 -2.798 -6.781 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -0.901 -2.062 -5.352 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 0.680 -1.780 -5.901 1.00 13.13 H new ATOM 829 N SER A 56 0.990 0.646 -4.119 1.00 61.14 N ATOM 830 CA SER A 56 0.850 1.798 -5.004 1.00 14.20 C ATOM 831 C SER A 56 -0.245 1.547 -6.036 1.00 33.41 C ATOM 832 O SER A 56 -0.318 0.464 -6.617 1.00 61.31 O ATOM 833 CB SER A 56 2.177 2.092 -5.709 1.00 42.24 C ATOM 834 OG SER A 56 3.035 0.965 -5.674 1.00 4.04 O ATOM 0 H SER A 56 1.225 -0.224 -4.596 1.00 61.14 H new ATOM 0 HA SER A 56 0.572 2.663 -4.402 1.00 14.20 H new ATOM 0 HB2 SER A 56 1.987 2.376 -6.744 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.666 2.940 -5.230 1.00 42.24 H new ATOM 0 HG SER A 56 3.874 1.179 -6.132 1.00 4.04 H new ATOM 840 N CYS A 57 -1.094 2.544 -6.267 1.00 64.24 N ATOM 841 CA CYS A 57 -2.174 2.398 -7.240 1.00 63.31 C ATOM 842 C CYS A 57 -2.249 3.609 -8.159 1.00 53.51 C ATOM 843 O CYS A 57 -1.531 4.591 -7.971 1.00 2.13 O ATOM 844 CB CYS A 57 -3.521 2.162 -6.529 1.00 44.32 C ATOM 845 SG CYS A 57 -4.496 3.659 -6.128 1.00 74.43 S ATOM 0 H CYS A 57 -1.058 3.451 -5.801 1.00 64.24 H new ATOM 0 HA CYS A 57 -1.958 1.525 -7.856 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.131 1.514 -7.158 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.329 1.620 -5.603 1.00 44.32 H new ATOM 850 N ARG A 58 -3.118 3.531 -9.155 1.00 31.41 N ATOM 851 CA ARG A 58 -3.284 4.619 -10.105 1.00 62.35 C ATOM 852 C ARG A 58 -4.400 5.557 -9.655 1.00 33.04 C ATOM 853 O ARG A 58 -5.539 5.135 -9.461 1.00 54.43 O ATOM 854 CB ARG A 58 -3.588 4.067 -11.498 1.00 21.10 C ATOM 855 CG ARG A 58 -2.780 2.828 -11.858 1.00 44.23 C ATOM 856 CD ARG A 58 -3.678 1.685 -12.303 1.00 3.11 C ATOM 857 NE ARG A 58 -2.909 0.532 -12.764 1.00 31.04 N ATOM 858 CZ ARG A 58 -2.228 -0.278 -11.955 1.00 14.44 C ATOM 859 NH1 ARG A 58 -2.218 -0.064 -10.646 1.00 70.32 N ATOM 860 NH2 ARG A 58 -1.555 -1.304 -12.458 1.00 52.21 N ATOM 0 H ARG A 58 -3.719 2.725 -9.326 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.353 5.183 -10.148 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -4.650 3.828 -11.560 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -3.393 4.844 -12.237 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.077 3.070 -12.655 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -2.190 2.514 -10.997 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -4.320 1.385 -11.475 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.332 2.029 -13.105 1.00 3.11 H new ATOM 0 HE ARG A 58 -2.892 0.335 -13.765 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -2.734 0.724 -10.254 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -1.695 -0.688 -10.031 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -1.559 -1.473 -13.464 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -1.033 -1.925 -11.839 1.00 52.21 H new ATOM 874 N SER A 59 -4.062 6.830 -9.488 1.00 52.53 N ATOM 875 CA SER A 59 -5.034 7.827 -9.058 1.00 74.44 C ATOM 876 C SER A 59 -5.821 8.372 -10.245 1.00 41.43 C ATOM 877 O SER A 59 -6.979 8.768 -10.107 1.00 4.30 O ATOM 878 CB SER A 59 -4.329 8.972 -8.325 1.00 45.24 C ATOM 879 OG SER A 59 -4.884 9.168 -7.036 1.00 1.43 O ATOM 0 H SER A 59 -3.123 7.196 -9.644 1.00 52.53 H new ATOM 0 HA SER A 59 -5.735 7.345 -8.376 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.265 8.752 -8.237 1.00 45.24 H new ATOM 0 HB3 SER A 59 -4.418 9.890 -8.906 1.00 45.24 H new ATOM 0 HG SER A 59 -4.334 9.808 -6.537 1.00 1.43 H new