USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 5 LYS NZ :NH3+ -142:sc= 0.199 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 82:sc= 0.151 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -177:sc= -0.311 (180deg=-0.34) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -131:sc= 0 (180deg=-0.0494) USER MOD Single : A 36 CYS SG : rot 31:sc=-0.00468 USER MOD Single : A 44 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.8) USER MOD Single : A 45 TYR OH : rot -161:sc= 0.916 USER MOD Single : A 48 MET CE :methyl 171:sc= 0 (180deg=-0.108) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 51 SER OG : rot 129:sc= 1.27 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.753 K(o=0.75,f=-4.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.521 K(o=0.52,f=-0.17) USER MOD Single : A 59 SER OG : rot 68:sc= 0.0453 USER MOD Single : A 60 ASN : amide:sc= 0.539 K(o=0.54,f=-0.77) USER MOD Single : A 67 ASN : amide:sc= 0.649 K(o=0.65,f=-7.1!) USER MOD Single : A 68 TYR OH : rot 15:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.682 -2.444 -3.379 1.00 0.00 N ATOM 69 CA ILE A 4 5.620 -1.499 -3.789 1.00 0.00 C ATOM 70 C ILE A 4 5.544 -0.229 -2.923 1.00 0.00 C ATOM 71 O ILE A 4 5.251 0.854 -3.429 1.00 0.00 O ATOM 72 CB ILE A 4 4.271 -2.252 -3.875 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.151 -1.452 -4.568 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.776 -2.688 -2.485 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.439 -1.095 -6.028 1.00 0.00 C ATOM 0 HA ILE A 4 5.877 -1.120 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 4 4.485 -3.126 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.228 -2.030 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.979 -0.532 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.826 -3.214 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.511 -3.351 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.639 -1.809 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.600 -0.533 -6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.343 -0.488 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.580 -2.009 -6.605 1.00 0.00 H new ATOM 87 N LYS A 5 5.893 -0.325 -1.638 1.00 0.00 N ATOM 88 CA LYS A 5 5.939 0.818 -0.715 1.00 0.00 C ATOM 89 C LYS A 5 7.072 1.794 -1.092 1.00 0.00 C ATOM 90 O LYS A 5 6.879 3.010 -1.119 1.00 0.00 O ATOM 91 CB LYS A 5 6.059 0.250 0.715 1.00 0.00 C ATOM 92 CG LYS A 5 5.453 1.113 1.834 1.00 0.00 C ATOM 93 CD LYS A 5 6.262 2.367 2.196 1.00 0.00 C ATOM 94 CE LYS A 5 5.691 2.951 3.497 1.00 0.00 C ATOM 95 NZ LYS A 5 6.429 4.153 3.964 1.00 0.00 N ATOM 0 H LYS A 5 6.155 -1.209 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 5 5.029 1.415 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.580 -0.729 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.115 0.093 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.451 1.419 1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.344 0.499 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.315 2.116 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.204 3.101 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.644 3.211 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.720 2.188 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.498 4.136 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.384 4.155 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.922 5.010 3.665 1.00 0.00 H new ATOM 109 N ASN A 6 8.235 1.257 -1.477 1.00 0.00 N ATOM 110 CA ASN A 6 9.366 2.035 -1.996 1.00 0.00 C ATOM 111 C ASN A 6 9.139 2.518 -3.443 1.00 0.00 C ATOM 112 O ASN A 6 9.637 3.578 -3.820 1.00 0.00 O ATOM 113 CB ASN A 6 10.643 1.188 -1.887 1.00 0.00 C ATOM 114 CG ASN A 6 11.895 1.981 -2.264 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.187 3.027 -1.698 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.664 1.511 -3.230 1.00 0.00 N ATOM 0 H ASN A 6 8.420 0.255 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 6 9.468 2.937 -1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.744 0.815 -0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.556 0.318 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.504 2.020 -3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.418 0.639 -3.699 1.00 0.00 H new ATOM 123 N PHE A 7 8.347 1.791 -4.242 1.00 0.00 N ATOM 124 CA PHE A 7 7.983 2.182 -5.607 1.00 0.00 C ATOM 125 C PHE A 7 7.141 3.460 -5.613 1.00 0.00 C ATOM 126 O PHE A 7 7.436 4.367 -6.388 1.00 0.00 O ATOM 127 CB PHE A 7 7.244 1.025 -6.290 1.00 0.00 C ATOM 128 CG PHE A 7 6.802 1.310 -7.712 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.697 1.128 -8.783 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.492 1.759 -7.965 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.278 1.389 -10.101 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.076 2.020 -9.282 1.00 0.00 C ATOM 133 CZ PHE A 7 5.968 1.831 -10.352 1.00 0.00 C ATOM 0 H PHE A 7 7.936 0.903 -3.953 1.00 0.00 H new ATOM 0 HA PHE A 7 8.893 2.398 -6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.892 0.149 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.367 0.770 -5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.705 0.788 -8.594 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.805 1.903 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.966 1.249 -10.922 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.071 2.366 -9.472 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.647 2.025 -11.365 1.00 0.00 H new ATOM 143 N LEU A 8 6.152 3.579 -4.714 1.00 0.00 N ATOM 144 CA LEU A 8 5.384 4.818 -4.546 1.00 0.00 C ATOM 145 C LEU A 8 6.273 5.978 -4.077 1.00 0.00 C ATOM 146 O LEU A 8 6.173 7.086 -4.602 1.00 0.00 O ATOM 147 CB LEU A 8 4.213 4.566 -3.576 1.00 0.00 C ATOM 148 CG LEU A 8 3.280 5.783 -3.382 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.757 6.373 -4.703 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.082 5.377 -2.513 1.00 0.00 C ATOM 0 H LEU A 8 5.865 2.825 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 8 4.980 5.115 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.624 3.726 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.615 4.272 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 8 3.878 6.556 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.109 7.223 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.598 6.702 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.193 5.613 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.424 6.235 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.533 4.573 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.437 5.034 -1.541 1.00 0.00 H new ATOM 162 N TYR A 9 7.183 5.721 -3.134 1.00 0.00 N ATOM 163 CA TYR A 9 8.119 6.730 -2.632 1.00 0.00 C ATOM 164 C TYR A 9 9.075 7.250 -3.726 1.00 0.00 C ATOM 165 O TYR A 9 9.280 8.459 -3.849 1.00 0.00 O ATOM 166 CB TYR A 9 8.882 6.145 -1.436 1.00 0.00 C ATOM 167 CG TYR A 9 9.724 7.160 -0.689 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.161 7.898 0.370 1.00 0.00 C ATOM 169 CD2 TYR A 9 11.068 7.372 -1.054 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.934 8.852 1.062 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.846 8.326 -0.371 1.00 0.00 C ATOM 172 CZ TYR A 9 11.281 9.070 0.690 1.00 0.00 C ATOM 173 OH TYR A 9 12.039 9.991 1.351 1.00 0.00 O ATOM 0 H TYR A 9 7.292 4.806 -2.696 1.00 0.00 H new ATOM 0 HA TYR A 9 7.551 7.602 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.167 5.701 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.528 5.340 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.132 7.732 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.503 6.801 -1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.499 9.415 1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.874 8.489 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 9 12.940 10.010 0.966 1.00 0.00 H new ATOM 183 N ALA A 10 9.605 6.355 -4.566 1.00 0.00 N ATOM 184 CA ALA A 10 10.459 6.693 -5.708 1.00 0.00 C ATOM 185 C ALA A 10 9.685 7.405 -6.834 1.00 0.00 C ATOM 186 O ALA A 10 10.191 8.362 -7.417 1.00 0.00 O ATOM 187 CB ALA A 10 11.124 5.403 -6.206 1.00 0.00 C ATOM 0 H ALA A 10 9.448 5.352 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 10 11.220 7.404 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.766 5.630 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.723 4.970 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.356 4.692 -6.510 1.00 0.00 H new ATOM 193 N TRP A 11 8.441 6.996 -7.099 1.00 0.00 N ATOM 194 CA TRP A 11 7.541 7.640 -8.061 1.00 0.00 C ATOM 195 C TRP A 11 7.231 9.095 -7.668 1.00 0.00 C ATOM 196 O TRP A 11 7.297 9.998 -8.507 1.00 0.00 O ATOM 197 CB TRP A 11 6.260 6.800 -8.152 1.00 0.00 C ATOM 198 CG TRP A 11 5.204 7.364 -9.044 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.025 7.081 -10.352 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.180 8.346 -8.704 1.00 0.00 C ATOM 201 NE1 TRP A 11 3.970 7.826 -10.848 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.472 8.690 -9.891 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.801 8.994 -7.511 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.503 9.706 -9.898 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.795 9.975 -7.501 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.161 10.346 -8.697 1.00 0.00 C ATOM 0 H TRP A 11 8.021 6.188 -6.639 1.00 0.00 H new ATOM 0 HA TRP A 11 8.025 7.687 -9.037 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.521 5.803 -8.506 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.846 6.684 -7.150 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.615 6.380 -10.924 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.606 7.748 -11.798 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.293 8.731 -6.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.024 9.993 -10.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.509 10.444 -6.571 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.411 11.123 -8.693 1.00 0.00 H new ATOM 217 N CYS A 12 6.968 9.325 -6.378 1.00 0.00 N ATOM 218 CA CYS A 12 6.837 10.663 -5.784 1.00 0.00 C ATOM 219 C CYS A 12 8.141 11.473 -5.902 1.00 0.00 C ATOM 220 O CYS A 12 8.107 12.642 -6.290 1.00 0.00 O ATOM 221 CB CYS A 12 6.428 10.517 -4.311 1.00 0.00 C ATOM 222 SG CYS A 12 4.729 9.904 -4.137 1.00 0.00 S ATOM 0 H CYS A 12 6.837 8.572 -5.702 1.00 0.00 H new ATOM 0 HA CYS A 12 6.071 11.212 -6.331 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.113 9.833 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.519 11.482 -3.812 1.00 0.00 H new ATOM 0 HG CYS A 12 4.720 8.610 -4.261 1.00 0.00 H new ATOM 228 N GLY A 13 9.293 10.847 -5.638 1.00 0.00 N ATOM 229 CA GLY A 13 10.616 11.488 -5.673 1.00 0.00 C ATOM 230 C GLY A 13 11.056 11.934 -7.070 1.00 0.00 C ATOM 231 O GLY A 13 11.797 12.908 -7.195 1.00 0.00 O ATOM 0 H GLY A 13 9.335 9.859 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.606 12.355 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.356 10.793 -5.275 1.00 0.00 H new ATOM 235 N LYS A 14 10.540 11.301 -8.132 1.00 0.00 N ATOM 236 CA LYS A 14 10.752 11.714 -9.532 1.00 0.00 C ATOM 237 C LYS A 14 9.869 12.914 -9.941 1.00 0.00 C ATOM 238 O LYS A 14 10.038 13.473 -11.028 1.00 0.00 O ATOM 239 CB LYS A 14 10.532 10.494 -10.449 1.00 0.00 C ATOM 240 CG LYS A 14 11.678 9.474 -10.324 1.00 0.00 C ATOM 241 CD LYS A 14 11.414 8.173 -11.096 1.00 0.00 C ATOM 242 CE LYS A 14 11.340 8.406 -12.614 1.00 0.00 C ATOM 243 NZ LYS A 14 11.186 7.130 -13.361 1.00 0.00 N ATOM 0 H LYS A 14 9.952 10.472 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 14 11.778 12.066 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.587 10.013 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.452 10.826 -11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.600 9.926 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.834 9.239 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.205 7.456 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.479 7.731 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.501 9.063 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.244 8.916 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.140 7.328 -14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.000 6.513 -13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.311 6.655 -13.061 1.00 0.00 H new ATOM 257 N ARG A 15 8.948 13.318 -9.056 1.00 0.00 N ATOM 258 CA ARG A 15 7.988 14.421 -9.205 1.00 0.00 C ATOM 259 C ARG A 15 8.164 15.512 -8.125 1.00 0.00 C ATOM 260 O ARG A 15 7.327 16.407 -8.017 1.00 0.00 O ATOM 261 CB ARG A 15 6.565 13.830 -9.171 1.00 0.00 C ATOM 262 CG ARG A 15 6.300 12.834 -10.312 1.00 0.00 C ATOM 263 CD ARG A 15 4.872 12.275 -10.245 1.00 0.00 C ATOM 264 NE ARG A 15 4.415 11.705 -11.525 1.00 0.00 N ATOM 265 CZ ARG A 15 4.918 10.679 -12.195 1.00 0.00 C ATOM 266 NH1 ARG A 15 6.016 10.048 -11.827 1.00 0.00 N ATOM 267 NH2 ARG A 15 4.270 10.268 -13.260 1.00 0.00 N ATOM 0 H ARG A 15 8.847 12.851 -8.155 1.00 0.00 H new ATOM 0 HA ARG A 15 8.169 14.917 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.408 13.329 -8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.839 14.641 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.455 13.328 -11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.016 12.014 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.825 11.506 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.190 13.070 -9.944 1.00 0.00 H new ATOM 0 HE ARG A 15 3.607 12.159 -11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.519 10.345 -10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.362 9.263 -12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.410 10.736 -13.546 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.627 9.481 -13.802 1.00 0.00 H new ATOM 281 N LYS A 16 9.221 15.426 -7.302 1.00 0.00 N ATOM 282 CA LYS A 16 9.531 16.331 -6.172 1.00 0.00 C ATOM 283 C LYS A 16 8.470 16.289 -5.041 1.00 0.00 C ATOM 284 O LYS A 16 8.262 17.274 -4.325 1.00 0.00 O ATOM 285 CB LYS A 16 9.846 17.760 -6.676 1.00 0.00 C ATOM 286 CG LYS A 16 10.998 17.797 -7.695 1.00 0.00 C ATOM 287 CD LYS A 16 11.331 19.242 -8.093 1.00 0.00 C ATOM 288 CE LYS A 16 12.480 19.257 -9.110 1.00 0.00 C ATOM 289 NZ LYS A 16 12.834 20.641 -9.519 1.00 0.00 N ATOM 0 H LYS A 16 9.919 14.690 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 16 10.438 15.956 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.951 18.184 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.100 18.392 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.881 17.320 -7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.723 17.225 -8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.451 19.722 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.610 19.816 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.354 18.770 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.195 18.679 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.614 20.611 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.006 21.097 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.130 21.185 -8.683 1.00 0.00 H new ATOM 303 N MET A 17 7.791 15.147 -4.879 1.00 0.00 N ATOM 304 CA MET A 17 6.750 14.876 -3.874 1.00 0.00 C ATOM 305 C MET A 17 7.220 13.839 -2.837 1.00 0.00 C ATOM 306 O MET A 17 8.242 13.171 -3.028 1.00 0.00 O ATOM 307 CB MET A 17 5.481 14.369 -4.587 1.00 0.00 C ATOM 308 CG MET A 17 4.889 15.397 -5.557 1.00 0.00 C ATOM 309 SD MET A 17 3.224 15.005 -6.161 1.00 0.00 S ATOM 310 CE MET A 17 3.507 13.370 -6.889 1.00 0.00 C ATOM 0 H MET A 17 7.961 14.340 -5.479 1.00 0.00 H new ATOM 0 HA MET A 17 6.536 15.802 -3.340 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.718 13.456 -5.134 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.731 14.108 -3.840 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.861 16.368 -5.062 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.557 15.494 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.587 13.014 -7.352 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.290 13.438 -7.644 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.814 12.673 -6.109 1.00 0.00 H new ATOM 320 N THR A 18 6.410 13.649 -1.787 1.00 0.00 N ATOM 321 CA THR A 18 6.577 12.637 -0.726 1.00 0.00 C ATOM 322 C THR A 18 5.194 12.073 -0.362 1.00 0.00 C ATOM 323 O THR A 18 4.291 12.880 -0.119 1.00 0.00 O ATOM 324 CB THR A 18 7.239 13.261 0.514 1.00 0.00 C ATOM 325 OG1 THR A 18 8.456 13.872 0.141 1.00 0.00 O ATOM 326 CG2 THR A 18 7.562 12.213 1.582 1.00 0.00 C ATOM 0 H THR A 18 5.579 14.223 -1.644 1.00 0.00 H new ATOM 0 HA THR A 18 7.222 11.835 -1.085 1.00 0.00 H new ATOM 0 HB THR A 18 6.533 13.984 0.924 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.877 14.271 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.028 12.699 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.642 11.721 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.246 11.471 1.169 1.00 0.00 H new ATOM 334 N PRO A 19 4.996 10.738 -0.316 1.00 0.00 N ATOM 335 CA PRO A 19 3.722 10.136 0.070 1.00 0.00 C ATOM 336 C PRO A 19 3.533 10.202 1.591 1.00 0.00 C ATOM 337 O PRO A 19 4.479 9.998 2.355 1.00 0.00 O ATOM 338 CB PRO A 19 3.786 8.696 -0.443 1.00 0.00 C ATOM 339 CG PRO A 19 5.275 8.361 -0.375 1.00 0.00 C ATOM 340 CD PRO A 19 5.963 9.700 -0.650 1.00 0.00 C ATOM 0 HA PRO A 19 2.867 10.662 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.194 8.022 0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.402 8.614 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.551 7.962 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.550 7.610 -1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.866 9.803 -0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.266 9.773 -1.695 1.00 0.00 H new ATOM 348 N ALA A 20 2.301 10.481 2.028 1.00 0.00 N ATOM 349 CA ALA A 20 1.935 10.640 3.437 1.00 0.00 C ATOM 350 C ALA A 20 0.964 9.534 3.878 1.00 0.00 C ATOM 351 O ALA A 20 -0.147 9.432 3.356 1.00 0.00 O ATOM 352 CB ALA A 20 1.335 12.039 3.623 1.00 0.00 C ATOM 0 H ALA A 20 1.511 10.605 1.395 1.00 0.00 H new ATOM 0 HA ALA A 20 2.818 10.544 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.055 12.179 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.072 12.791 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.451 12.143 2.993 1.00 0.00 H new ATOM 358 N TYR A 21 1.385 8.716 4.847 1.00 0.00 N ATOM 359 CA TYR A 21 0.647 7.544 5.341 1.00 0.00 C ATOM 360 C TYR A 21 -0.087 7.812 6.672 1.00 0.00 C ATOM 361 O TYR A 21 0.292 8.703 7.438 1.00 0.00 O ATOM 362 CB TYR A 21 1.616 6.356 5.507 1.00 0.00 C ATOM 363 CG TYR A 21 2.233 5.828 4.223 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.362 6.461 3.665 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.693 4.687 3.595 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.928 5.976 2.472 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.263 4.189 2.406 1.00 0.00 C ATOM 368 CZ TYR A 21 3.377 4.846 1.834 1.00 0.00 C ATOM 369 OH TYR A 21 3.930 4.393 0.677 1.00 0.00 O ATOM 0 H TYR A 21 2.275 8.853 5.325 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.118 7.310 4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.420 6.657 6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.082 5.540 5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.794 7.321 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.837 4.191 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.787 6.471 2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.851 3.309 1.934 1.00 0.00 H new ATOM 0 HH TYR A 21 4.092 3.429 0.747 1.00 0.00 H new ATOM 379 N GLU A 22 -1.097 6.994 6.979 1.00 0.00 N ATOM 380 CA GLU A 22 -1.798 6.955 8.268 1.00 0.00 C ATOM 381 C GLU A 22 -2.253 5.518 8.581 1.00 0.00 C ATOM 382 O GLU A 22 -2.511 4.738 7.663 1.00 0.00 O ATOM 383 CB GLU A 22 -2.965 7.963 8.259 1.00 0.00 C ATOM 384 CG GLU A 22 -3.725 8.088 9.588 1.00 0.00 C ATOM 385 CD GLU A 22 -2.809 8.513 10.747 1.00 0.00 C ATOM 386 OE1 GLU A 22 -2.147 7.631 11.344 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.749 9.725 11.065 1.00 0.00 O ATOM 0 H GLU A 22 -1.464 6.315 6.313 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.122 7.253 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.576 8.944 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.670 7.672 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.528 8.816 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.192 7.133 9.828 1.00 0.00 H new ATOM 394 N ILE A 23 -2.320 5.148 9.867 1.00 0.00 N ATOM 395 CA ILE A 23 -2.511 3.765 10.355 1.00 0.00 C ATOM 396 C ILE A 23 -3.564 3.702 11.482 1.00 0.00 C ATOM 397 O ILE A 23 -3.677 4.621 12.297 1.00 0.00 O ATOM 398 CB ILE A 23 -1.137 3.174 10.791 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.204 3.023 9.562 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.271 1.819 11.521 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.202 2.493 9.864 1.00 0.00 C ATOM 0 H ILE A 23 -2.240 5.823 10.627 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.903 3.151 9.544 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.703 3.878 11.501 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.680 2.353 8.846 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.111 3.994 9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.282 1.457 11.800 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.877 1.947 12.418 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.749 1.096 10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.772 2.425 8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.707 3.171 10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.129 1.505 10.318 1.00 0.00 H new ATOM 413 N ARG A 24 -4.311 2.588 11.542 1.00 0.00 N ATOM 414 CA ARG A 24 -5.316 2.260 12.567 1.00 0.00 C ATOM 415 C ARG A 24 -5.149 0.806 13.030 1.00 0.00 C ATOM 416 O ARG A 24 -4.938 -0.087 12.212 1.00 0.00 O ATOM 417 CB ARG A 24 -6.719 2.481 11.976 1.00 0.00 C ATOM 418 CG ARG A 24 -7.852 2.286 12.996 1.00 0.00 C ATOM 419 CD ARG A 24 -9.223 2.501 12.346 1.00 0.00 C ATOM 420 NE ARG A 24 -10.309 2.235 13.305 1.00 0.00 N ATOM 421 CZ ARG A 24 -11.613 2.284 13.051 1.00 0.00 C ATOM 422 NH1 ARG A 24 -12.082 2.597 11.861 1.00 0.00 N ATOM 423 NH2 ARG A 24 -12.474 2.014 14.008 1.00 0.00 N ATOM 0 H ARG A 24 -4.226 1.853 10.840 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.182 2.907 13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.778 3.490 11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.867 1.792 11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.799 1.281 13.416 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.725 2.984 13.823 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.299 3.525 11.979 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.327 1.845 11.482 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.034 1.989 14.256 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.438 2.811 11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.089 2.625 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.140 1.768 14.940 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.476 2.050 13.818 1.00 0.00 H new ATOM 561 N LYS A 33 -4.217 -6.641 14.445 1.00 0.00 N ATOM 562 CA LYS A 33 -4.075 -6.337 13.018 1.00 0.00 C ATOM 563 C LYS A 33 -4.094 -4.817 12.773 1.00 0.00 C ATOM 564 O LYS A 33 -4.495 -4.040 13.647 1.00 0.00 O ATOM 565 CB LYS A 33 -5.206 -7.042 12.244 1.00 0.00 C ATOM 566 CG LYS A 33 -5.025 -8.567 12.187 1.00 0.00 C ATOM 567 CD LYS A 33 -6.013 -9.211 11.207 1.00 0.00 C ATOM 568 CE LYS A 33 -5.725 -10.716 11.104 1.00 0.00 C ATOM 569 NZ LYS A 33 -6.631 -11.384 10.134 1.00 0.00 N ATOM 0 HA LYS A 33 -3.113 -6.705 12.662 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.162 -6.811 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.247 -6.647 11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.005 -8.803 11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.169 -8.990 13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.036 -9.048 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.924 -8.745 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.690 -10.868 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.839 -11.176 12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.407 -12.399 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.618 -11.260 10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.504 -10.962 9.192 1.00 0.00 H new ATOM 583 N PHE A 34 -3.680 -4.380 11.583 1.00 0.00 N ATOM 584 CA PHE A 34 -3.508 -2.969 11.235 1.00 0.00 C ATOM 585 C PHE A 34 -4.079 -2.644 9.854 1.00 0.00 C ATOM 586 O PHE A 34 -3.826 -3.350 8.878 1.00 0.00 O ATOM 587 CB PHE A 34 -2.017 -2.604 11.324 1.00 0.00 C ATOM 588 CG PHE A 34 -1.427 -2.841 12.700 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.659 -1.915 13.735 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.706 -4.021 12.965 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.172 -2.170 15.029 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.212 -4.271 14.257 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.444 -3.346 15.289 1.00 0.00 C ATOM 0 H PHE A 34 -3.450 -5.012 10.816 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.070 -2.365 11.948 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.462 -3.190 10.591 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.889 -1.555 11.056 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.211 -1.009 13.535 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.532 -4.735 12.174 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.357 -1.463 15.824 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.346 -5.174 14.456 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.064 -3.537 16.282 1.00 0.00 H new ATOM 603 N MET A 35 -4.826 -1.544 9.780 1.00 0.00 N ATOM 604 CA MET A 35 -5.285 -0.906 8.542 1.00 0.00 C ATOM 605 C MET A 35 -4.417 0.321 8.265 1.00 0.00 C ATOM 606 O MET A 35 -3.880 0.930 9.192 1.00 0.00 O ATOM 607 CB MET A 35 -6.762 -0.493 8.641 1.00 0.00 C ATOM 608 CG MET A 35 -7.673 -1.631 9.115 1.00 0.00 C ATOM 609 SD MET A 35 -9.446 -1.306 8.938 1.00 0.00 S ATOM 610 CE MET A 35 -9.619 -1.556 7.153 1.00 0.00 C ATOM 0 H MET A 35 -5.143 -1.050 10.615 1.00 0.00 H new ATOM 0 HA MET A 35 -5.195 -1.621 7.725 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.853 0.348 9.329 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.102 -0.145 7.666 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.425 -2.533 8.556 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.458 -1.837 10.164 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.162 -0.717 6.719 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.631 -1.623 6.698 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.168 -2.479 6.966 1.00 0.00 H new ATOM 620 N CYS A 36 -4.291 0.708 7.000 1.00 0.00 N ATOM 621 CA CYS A 36 -3.443 1.813 6.566 1.00 0.00 C ATOM 622 C CYS A 36 -4.031 2.518 5.340 1.00 0.00 C ATOM 623 O CYS A 36 -4.681 1.886 4.505 1.00 0.00 O ATOM 624 CB CYS A 36 -2.035 1.249 6.315 1.00 0.00 C ATOM 625 SG CYS A 36 -0.882 2.582 5.886 1.00 0.00 S ATOM 0 H CYS A 36 -4.785 0.253 6.232 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.386 2.581 7.337 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.682 0.728 7.205 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.069 0.516 5.509 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.244 3.678 6.484 1.00 0.00 H new ATOM 631 N GLU A 37 -3.777 3.817 5.218 1.00 0.00 N ATOM 632 CA GLU A 37 -4.064 4.617 4.040 1.00 0.00 C ATOM 633 C GLU A 37 -2.866 5.503 3.669 1.00 0.00 C ATOM 634 O GLU A 37 -2.010 5.781 4.511 1.00 0.00 O ATOM 635 CB GLU A 37 -5.347 5.434 4.244 1.00 0.00 C ATOM 636 CG GLU A 37 -5.272 6.468 5.375 1.00 0.00 C ATOM 637 CD GLU A 37 -6.525 7.348 5.384 1.00 0.00 C ATOM 638 OE1 GLU A 37 -6.569 8.330 4.608 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.469 7.069 6.159 1.00 0.00 O ATOM 0 H GLU A 37 -3.349 4.359 5.968 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.234 3.947 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.586 5.949 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.170 4.749 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.171 5.960 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.385 7.089 5.249 1.00 0.00 H new ATOM 646 N VAL A 38 -2.823 5.957 2.415 1.00 0.00 N ATOM 647 CA VAL A 38 -1.772 6.819 1.857 1.00 0.00 C ATOM 648 C VAL A 38 -2.367 7.871 0.916 1.00 0.00 C ATOM 649 O VAL A 38 -3.326 7.601 0.191 1.00 0.00 O ATOM 650 CB VAL A 38 -0.662 5.990 1.167 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.127 5.311 -0.130 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.583 6.842 0.864 1.00 0.00 C ATOM 0 H VAL A 38 -3.545 5.727 1.732 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.302 7.349 2.685 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.408 5.210 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.300 4.747 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.953 4.634 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.458 6.070 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.338 6.223 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.309 7.664 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.985 7.243 1.795 1.00 0.00 H new ATOM 662 N ARG A 39 -1.788 9.075 0.954 1.00 0.00 N ATOM 663 CA ARG A 39 -2.223 10.265 0.217 1.00 0.00 C ATOM 664 C ARG A 39 -1.019 11.011 -0.378 1.00 0.00 C ATOM 665 O ARG A 39 0.101 10.910 0.129 1.00 0.00 O ATOM 666 CB ARG A 39 -3.024 11.193 1.154 1.00 0.00 C ATOM 667 CG ARG A 39 -4.273 10.512 1.740 1.00 0.00 C ATOM 668 CD ARG A 39 -5.136 11.492 2.540 1.00 0.00 C ATOM 669 NE ARG A 39 -6.256 10.789 3.187 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.514 11.185 3.313 1.00 0.00 C ATOM 671 NH1 ARG A 39 -7.959 12.334 2.847 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.342 10.382 3.936 1.00 0.00 N ATOM 0 H ARG A 39 -0.964 9.255 1.527 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.863 9.951 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.380 11.524 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.326 12.085 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.865 10.083 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.968 9.687 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.527 11.988 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.521 12.269 1.879 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.035 9.879 3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.324 12.968 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.938 12.590 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.009 9.490 4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.319 10.649 4.055 1.00 0.00 H new ATOM 686 N VAL A 40 -1.261 11.773 -1.445 1.00 0.00 N ATOM 687 CA VAL A 40 -0.264 12.575 -2.182 1.00 0.00 C ATOM 688 C VAL A 40 -0.916 13.900 -2.595 1.00 0.00 C ATOM 689 O VAL A 40 -2.057 13.910 -3.059 1.00 0.00 O ATOM 690 CB VAL A 40 0.277 11.821 -3.424 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.364 12.634 -4.146 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.881 10.448 -3.071 1.00 0.00 C ATOM 0 H VAL A 40 -2.197 11.857 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 40 0.591 12.763 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.589 11.678 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.721 12.076 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.948 13.586 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.195 12.817 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.244 9.966 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.710 10.583 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.117 9.823 -2.608 1.00 0.00 H new ATOM 702 N GLU A 41 -0.208 15.015 -2.390 1.00 0.00 N ATOM 703 CA GLU A 41 -0.715 16.370 -2.640 1.00 0.00 C ATOM 704 C GLU A 41 -1.074 16.587 -4.123 1.00 0.00 C ATOM 705 O GLU A 41 -0.268 16.322 -5.017 1.00 0.00 O ATOM 706 CB GLU A 41 0.322 17.398 -2.151 1.00 0.00 C ATOM 707 CG GLU A 41 -0.205 18.837 -2.206 1.00 0.00 C ATOM 708 CD GLU A 41 0.812 19.822 -1.609 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.761 20.081 -0.382 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.663 20.353 -2.362 1.00 0.00 O ATOM 0 H GLU A 41 0.750 15.002 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.641 16.505 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.610 17.159 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.221 17.320 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.417 19.111 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.145 18.904 -1.659 1.00 0.00 H new ATOM 717 N GLY A 42 -2.293 17.079 -4.378 1.00 0.00 N ATOM 718 CA GLY A 42 -2.817 17.367 -5.722 1.00 0.00 C ATOM 719 C GLY A 42 -3.619 16.226 -6.364 1.00 0.00 C ATOM 720 O GLY A 42 -4.095 16.393 -7.488 1.00 0.00 O ATOM 0 H GLY A 42 -2.960 17.294 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.452 18.251 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.981 17.616 -6.376 1.00 0.00 H new ATOM 724 N PHE A 43 -3.799 15.097 -5.666 1.00 0.00 N ATOM 725 CA PHE A 43 -4.562 13.932 -6.131 1.00 0.00 C ATOM 726 C PHE A 43 -5.858 13.756 -5.324 1.00 0.00 C ATOM 727 O PHE A 43 -5.889 13.966 -4.110 1.00 0.00 O ATOM 728 CB PHE A 43 -3.671 12.682 -6.089 1.00 0.00 C ATOM 729 CG PHE A 43 -2.523 12.751 -7.079 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.319 13.388 -6.719 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.682 12.255 -8.387 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.294 13.549 -7.664 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.646 12.401 -9.328 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.456 13.056 -8.971 1.00 0.00 C ATOM 0 H PHE A 43 -3.406 14.966 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.867 14.093 -7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.271 12.559 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.277 11.801 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.184 13.754 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.601 11.762 -8.669 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.621 14.052 -7.387 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.766 12.009 -10.327 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.333 13.181 -9.698 1.00 0.00 H new ATOM 744 N ASN A 44 -6.937 13.379 -6.016 1.00 0.00 N ATOM 745 CA ASN A 44 -8.306 13.347 -5.475 1.00 0.00 C ATOM 746 C ASN A 44 -8.680 12.052 -4.719 1.00 0.00 C ATOM 747 O ASN A 44 -9.806 11.923 -4.229 1.00 0.00 O ATOM 748 CB ASN A 44 -9.297 13.668 -6.610 1.00 0.00 C ATOM 749 CG ASN A 44 -9.295 12.649 -7.751 1.00 0.00 C ATOM 750 OD1 ASN A 44 -9.425 11.448 -7.555 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.137 13.097 -8.984 1.00 0.00 N ATOM 0 H ASN A 44 -6.886 13.080 -6.990 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.362 14.112 -4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.302 13.728 -6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.061 14.652 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.124 12.443 -9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.028 14.097 -9.153 1.00 0.00 H new ATOM 758 N TYR A 45 -7.749 11.099 -4.606 1.00 0.00 N ATOM 759 CA TYR A 45 -7.949 9.772 -4.009 1.00 0.00 C ATOM 760 C TYR A 45 -7.028 9.513 -2.801 1.00 0.00 C ATOM 761 O TYR A 45 -5.947 10.097 -2.684 1.00 0.00 O ATOM 762 CB TYR A 45 -7.746 8.717 -5.107 1.00 0.00 C ATOM 763 CG TYR A 45 -8.056 7.291 -4.688 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.382 6.922 -4.394 1.00 0.00 C ATOM 765 CD2 TYR A 45 -7.022 6.340 -4.571 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.675 5.612 -3.968 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.311 5.025 -4.160 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.639 4.660 -3.838 1.00 0.00 C ATOM 769 OH TYR A 45 -8.932 3.404 -3.400 1.00 0.00 O ATOM 0 H TYR A 45 -6.796 11.236 -4.942 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.963 9.715 -3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.375 8.975 -5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.712 8.763 -5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.177 7.646 -4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.004 6.621 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.694 5.335 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.518 4.295 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.115 2.973 -3.072 1.00 0.00 H new ATOM 779 N ALA A 46 -7.451 8.606 -1.915 1.00 0.00 N ATOM 780 CA ALA A 46 -6.660 8.073 -0.806 1.00 0.00 C ATOM 781 C ALA A 46 -6.656 6.538 -0.890 1.00 0.00 C ATOM 782 O ALA A 46 -7.689 5.898 -0.677 1.00 0.00 O ATOM 783 CB ALA A 46 -7.255 8.592 0.511 1.00 0.00 C ATOM 0 H ALA A 46 -8.390 8.209 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.623 8.405 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.677 8.204 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.222 9.681 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.289 8.260 0.599 1.00 0.00 H new ATOM 789 N GLY A 47 -5.500 5.952 -1.221 1.00 0.00 N ATOM 790 CA GLY A 47 -5.339 4.499 -1.355 1.00 0.00 C ATOM 791 C GLY A 47 -5.197 3.844 0.009 1.00 0.00 C ATOM 792 O GLY A 47 -4.634 4.453 0.920 1.00 0.00 O ATOM 0 H GLY A 47 -4.644 6.476 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.199 4.080 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.460 4.280 -1.962 1.00 0.00 H new ATOM 796 N MET A 48 -5.697 2.617 0.164 1.00 0.00 N ATOM 797 CA MET A 48 -5.834 1.959 1.466 1.00 0.00 C ATOM 798 C MET A 48 -5.733 0.429 1.416 1.00 0.00 C ATOM 799 O MET A 48 -6.100 -0.212 0.430 1.00 0.00 O ATOM 800 CB MET A 48 -7.134 2.428 2.137 1.00 0.00 C ATOM 801 CG MET A 48 -8.397 2.146 1.309 1.00 0.00 C ATOM 802 SD MET A 48 -9.947 2.670 2.091 1.00 0.00 S ATOM 803 CE MET A 48 -9.773 4.468 1.952 1.00 0.00 C ATOM 0 H MET A 48 -6.021 2.046 -0.617 1.00 0.00 H new ATOM 0 HA MET A 48 -4.978 2.262 2.070 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.229 1.937 3.106 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.067 3.499 2.327 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.304 2.648 0.346 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.451 1.076 1.107 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.709 4.947 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 48 -8.974 4.808 2.611 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.531 4.732 0.922 1.00 0.00 H new ATOM 813 N GLY A 49 -5.206 -0.140 2.504 1.00 0.00 N ATOM 814 CA GLY A 49 -4.942 -1.569 2.696 1.00 0.00 C ATOM 815 C GLY A 49 -4.989 -1.987 4.165 1.00 0.00 C ATOM 816 O GLY A 49 -5.228 -1.170 5.054 1.00 0.00 O ATOM 0 H GLY A 49 -4.938 0.413 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.675 -2.148 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.962 -1.811 2.285 1.00 0.00 H new ATOM 820 N ASN A 50 -4.744 -3.270 4.428 1.00 0.00 N ATOM 821 CA ASN A 50 -4.639 -3.835 5.780 1.00 0.00 C ATOM 822 C ASN A 50 -3.766 -5.101 5.812 1.00 0.00 C ATOM 823 O ASN A 50 -3.540 -5.725 4.776 1.00 0.00 O ATOM 824 CB ASN A 50 -6.044 -4.081 6.365 1.00 0.00 C ATOM 825 CG ASN A 50 -6.792 -5.217 5.673 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.613 -6.386 5.993 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.650 -4.912 4.715 1.00 0.00 N ATOM 0 H ASN A 50 -4.609 -3.964 3.693 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.133 -3.106 6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.954 -4.308 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.630 -3.166 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.167 -5.651 4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.796 -3.937 4.452 1.00 0.00 H new ATOM 834 N SER A 51 -3.275 -5.480 6.994 1.00 0.00 N ATOM 835 CA SER A 51 -2.487 -6.699 7.238 1.00 0.00 C ATOM 836 C SER A 51 -2.324 -6.985 8.745 1.00 0.00 C ATOM 837 O SER A 51 -2.807 -6.226 9.591 1.00 0.00 O ATOM 838 CB SER A 51 -1.113 -6.594 6.551 1.00 0.00 C ATOM 839 OG SER A 51 -0.514 -7.873 6.451 1.00 0.00 O ATOM 0 H SER A 51 -3.418 -4.929 7.841 1.00 0.00 H new ATOM 0 HA SER A 51 -3.033 -7.538 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.228 -6.160 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.466 -5.925 7.118 1.00 0.00 H new ATOM 0 HG SER A 51 -0.234 -8.031 5.525 1.00 0.00 H new ATOM 845 N THR A 52 -1.618 -8.067 9.098 1.00 0.00 N ATOM 846 CA THR A 52 -1.282 -8.450 10.484 1.00 0.00 C ATOM 847 C THR A 52 -0.080 -7.663 11.031 1.00 0.00 C ATOM 848 O THR A 52 0.213 -7.731 12.222 1.00 0.00 O ATOM 849 CB THR A 52 -1.100 -9.977 10.572 1.00 0.00 C ATOM 850 OG1 THR A 52 -2.207 -10.595 9.943 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.065 -10.525 12.003 1.00 0.00 C ATOM 0 H THR A 52 -1.251 -8.723 8.409 1.00 0.00 H new ATOM 0 HA THR A 52 -2.114 -8.178 11.134 1.00 0.00 H new ATOM 0 HB THR A 52 -0.141 -10.192 10.100 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.107 -11.569 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.934 -11.607 11.975 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.235 -10.073 12.546 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.001 -10.286 12.507 1.00 0.00 H new ATOM 859 N ASN A 53 0.584 -6.861 10.192 1.00 0.00 N ATOM 860 CA ASN A 53 1.690 -5.973 10.568 1.00 0.00 C ATOM 861 C ASN A 53 1.647 -4.633 9.806 1.00 0.00 C ATOM 862 O ASN A 53 1.149 -4.549 8.682 1.00 0.00 O ATOM 863 CB ASN A 53 3.030 -6.710 10.390 1.00 0.00 C ATOM 864 CG ASN A 53 3.389 -6.941 8.926 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.879 -6.047 8.249 1.00 0.00 O ATOM 866 ND2 ASN A 53 3.158 -8.128 8.396 1.00 0.00 N ATOM 0 H ASN A 53 0.359 -6.810 9.198 1.00 0.00 H new ATOM 0 HA ASN A 53 1.582 -5.712 11.621 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.823 -6.133 10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.982 -7.670 10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.388 -8.303 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.749 -8.870 8.965 1.00 0.00 H new ATOM 873 N LYS A 54 2.186 -3.573 10.420 1.00 0.00 N ATOM 874 CA LYS A 54 2.136 -2.198 9.893 1.00 0.00 C ATOM 875 C LYS A 54 2.916 -1.992 8.579 1.00 0.00 C ATOM 876 O LYS A 54 2.571 -1.112 7.789 1.00 0.00 O ATOM 877 CB LYS A 54 2.662 -1.236 10.973 1.00 0.00 C ATOM 878 CG LYS A 54 1.721 -1.128 12.184 1.00 0.00 C ATOM 879 CD LYS A 54 2.252 -0.100 13.190 1.00 0.00 C ATOM 880 CE LYS A 54 1.321 -0.020 14.407 1.00 0.00 C ATOM 881 NZ LYS A 54 1.818 0.950 15.419 1.00 0.00 N ATOM 0 H LYS A 54 2.677 -3.644 11.311 1.00 0.00 H new ATOM 0 HA LYS A 54 1.094 -1.992 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.642 -1.575 11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.800 -0.247 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.724 -0.838 11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.626 -2.101 12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.257 -0.378 13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.327 0.878 12.716 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.323 0.273 14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.232 -1.006 14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.163 0.976 16.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.760 0.657 15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.879 1.896 14.992 1.00 0.00 H new ATOM 895 N LYS A 55 3.955 -2.790 8.322 1.00 0.00 N ATOM 896 CA LYS A 55 4.788 -2.685 7.113 1.00 0.00 C ATOM 897 C LYS A 55 4.033 -3.164 5.865 1.00 0.00 C ATOM 898 O LYS A 55 3.886 -2.416 4.900 1.00 0.00 O ATOM 899 CB LYS A 55 6.085 -3.479 7.357 1.00 0.00 C ATOM 900 CG LYS A 55 7.171 -3.299 6.283 1.00 0.00 C ATOM 901 CD LYS A 55 7.786 -1.892 6.268 1.00 0.00 C ATOM 902 CE LYS A 55 8.965 -1.849 5.285 1.00 0.00 C ATOM 903 NZ LYS A 55 9.669 -0.539 5.323 1.00 0.00 N ATOM 0 H LYS A 55 4.248 -3.537 8.952 1.00 0.00 H new ATOM 0 HA LYS A 55 5.038 -1.642 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.497 -3.184 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.837 -4.538 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.961 -4.031 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.742 -3.510 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.033 -1.159 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.125 -1.623 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.668 -2.646 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.603 -2.038 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.458 -0.549 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.005 0.220 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.037 -0.370 6.281 1.00 0.00 H new ATOM 917 N ASP A 56 3.471 -4.372 5.916 1.00 0.00 N ATOM 918 CA ASP A 56 2.668 -4.942 4.833 1.00 0.00 C ATOM 919 C ASP A 56 1.318 -4.224 4.669 1.00 0.00 C ATOM 920 O ASP A 56 0.807 -4.126 3.557 1.00 0.00 O ATOM 921 CB ASP A 56 2.479 -6.440 5.094 1.00 0.00 C ATOM 922 CG ASP A 56 1.842 -7.167 3.900 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.484 -7.233 2.825 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.720 -7.702 4.061 1.00 0.00 O ATOM 0 H ASP A 56 3.562 -4.991 6.722 1.00 0.00 H new ATOM 0 HA ASP A 56 3.198 -4.800 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.445 -6.892 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.852 -6.576 5.975 1.00 0.00 H new ATOM 929 N ALA A 57 0.784 -3.633 5.747 1.00 0.00 N ATOM 930 CA ALA A 57 -0.393 -2.760 5.663 1.00 0.00 C ATOM 931 C ALA A 57 -0.105 -1.490 4.836 1.00 0.00 C ATOM 932 O ALA A 57 -0.910 -1.129 3.974 1.00 0.00 O ATOM 933 CB ALA A 57 -0.891 -2.435 7.079 1.00 0.00 C ATOM 0 H ALA A 57 1.152 -3.745 6.692 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.187 -3.286 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.765 -1.787 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.160 -3.359 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.102 -1.928 7.635 1.00 0.00 H new ATOM 939 N GLN A 58 1.058 -0.856 5.038 1.00 0.00 N ATOM 940 CA GLN A 58 1.522 0.264 4.210 1.00 0.00 C ATOM 941 C GLN A 58 1.804 -0.169 2.768 1.00 0.00 C ATOM 942 O GLN A 58 1.442 0.555 1.846 1.00 0.00 O ATOM 943 CB GLN A 58 2.788 0.896 4.807 1.00 0.00 C ATOM 944 CG GLN A 58 2.517 1.768 6.040 1.00 0.00 C ATOM 945 CD GLN A 58 3.818 2.135 6.749 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.498 3.098 6.416 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.229 1.357 7.728 1.00 0.00 N ATOM 0 H GLN A 58 1.706 -1.107 5.784 1.00 0.00 H new ATOM 0 HA GLN A 58 0.718 1.000 4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.486 0.104 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.276 1.502 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.994 2.676 5.740 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.861 1.236 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.668 0.553 8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.108 1.558 8.204 1.00 0.00 H new ATOM 956 N SER A 59 2.395 -1.345 2.540 1.00 0.00 N ATOM 957 CA SER A 59 2.581 -1.887 1.184 1.00 0.00 C ATOM 958 C SER A 59 1.247 -2.110 0.453 1.00 0.00 C ATOM 959 O SER A 59 1.138 -1.831 -0.741 1.00 0.00 O ATOM 960 CB SER A 59 3.361 -3.209 1.230 1.00 0.00 C ATOM 961 OG SER A 59 4.649 -3.025 1.801 1.00 0.00 O ATOM 0 H SER A 59 2.756 -1.946 3.280 1.00 0.00 H new ATOM 0 HA SER A 59 3.149 -1.141 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.804 -3.943 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.461 -3.611 0.222 1.00 0.00 H new ATOM 0 HG SER A 59 4.557 -2.812 2.753 1.00 0.00 H new ATOM 967 N ASN A 60 0.200 -2.545 1.163 1.00 0.00 N ATOM 968 CA ASN A 60 -1.127 -2.752 0.577 1.00 0.00 C ATOM 969 C ASN A 60 -1.845 -1.414 0.307 1.00 0.00 C ATOM 970 O ASN A 60 -2.469 -1.258 -0.744 1.00 0.00 O ATOM 971 CB ASN A 60 -1.943 -3.715 1.462 1.00 0.00 C ATOM 972 CG ASN A 60 -1.374 -5.140 1.481 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.677 -5.577 0.570 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.666 -5.922 2.504 1.00 0.00 N ATOM 0 H ASN A 60 0.250 -2.763 2.158 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.018 -3.222 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.972 -3.328 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.972 -3.745 1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.313 -6.879 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.244 -5.569 3.267 1.00 0.00 H new ATOM 981 N ALA A 61 -1.689 -0.414 1.186 1.00 0.00 N ATOM 982 CA ALA A 61 -2.139 0.961 0.941 1.00 0.00 C ATOM 983 C ALA A 61 -1.428 1.604 -0.263 1.00 0.00 C ATOM 984 O ALA A 61 -2.080 2.213 -1.112 1.00 0.00 O ATOM 985 CB ALA A 61 -1.929 1.781 2.219 1.00 0.00 C ATOM 0 H ALA A 61 -1.243 -0.539 2.095 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.198 0.943 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.259 2.806 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.507 1.342 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.871 1.779 2.483 1.00 0.00 H new ATOM 991 N ALA A 62 -0.109 1.413 -0.376 1.00 0.00 N ATOM 992 CA ALA A 62 0.693 1.872 -1.507 1.00 0.00 C ATOM 993 C ALA A 62 0.247 1.213 -2.818 1.00 0.00 C ATOM 994 O ALA A 62 -0.014 1.919 -3.794 1.00 0.00 O ATOM 995 CB ALA A 62 2.170 1.602 -1.202 1.00 0.00 C ATOM 0 H ALA A 62 0.439 0.925 0.333 1.00 0.00 H new ATOM 0 HA ALA A 62 0.549 2.944 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.782 1.940 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.460 2.141 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.321 0.533 -1.051 1.00 0.00 H new ATOM 1001 N ARG A 63 0.075 -0.116 -2.829 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.423 -0.849 -3.996 1.00 0.00 C ATOM 1003 C ARG A 63 -1.784 -0.321 -4.462 1.00 0.00 C ATOM 1004 O ARG A 63 -1.978 -0.125 -5.658 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.485 -2.359 -3.689 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.988 -3.211 -4.870 1.00 0.00 C ATOM 1007 CD ARG A 63 -0.139 -3.111 -6.153 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.945 -3.445 -7.337 1.00 0.00 N ATOM 1009 CZ ARG A 63 -1.242 -4.646 -7.814 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -0.736 -5.753 -7.313 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -2.090 -4.728 -8.814 1.00 0.00 N ATOM 0 H ARG A 63 0.278 -0.712 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 63 0.276 -0.689 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.508 -2.703 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.139 -2.520 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.024 -4.254 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.010 -2.913 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.261 -2.102 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.713 -3.787 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.323 -2.653 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.088 -5.707 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.992 -6.657 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.502 -3.880 -9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.336 -5.639 -9.200 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.696 -0.026 -3.537 1.00 0.00 N ATOM 1026 CA ASP A 64 -4.026 0.503 -3.857 1.00 0.00 C ATOM 1027 C ASP A 64 -3.988 1.942 -4.410 1.00 0.00 C ATOM 1028 O ASP A 64 -4.790 2.283 -5.281 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.908 0.390 -2.609 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.375 0.726 -2.911 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -7.026 -0.048 -3.652 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.860 1.759 -2.396 1.00 0.00 O ATOM 0 H ASP A 64 -2.534 -0.147 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.452 -0.094 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.843 -0.622 -2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.533 1.063 -1.838 1.00 0.00 H new ATOM 1037 N PHE A 65 -3.013 2.763 -3.991 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.781 4.082 -4.588 1.00 0.00 C ATOM 1039 C PHE A 65 -2.057 3.994 -5.941 1.00 0.00 C ATOM 1040 O PHE A 65 -2.411 4.721 -6.864 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.033 4.992 -3.608 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.030 6.446 -4.047 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.171 7.247 -3.851 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.907 6.988 -4.697 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.186 8.580 -4.299 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -0.919 8.325 -5.134 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.060 9.120 -4.940 1.00 0.00 C ATOM 0 H PHE A 65 -2.369 2.532 -3.235 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.757 4.524 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.493 4.915 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.005 4.644 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.038 6.836 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.033 6.376 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.065 9.189 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.049 8.741 -5.620 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.071 10.144 -5.283 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.104 3.073 -6.110 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.451 2.811 -7.412 1.00 0.00 C ATOM 1059 C VAL A 66 -1.468 2.310 -8.440 1.00 0.00 C ATOM 1060 O VAL A 66 -1.462 2.765 -9.582 1.00 0.00 O ATOM 1061 CB VAL A 66 0.726 1.819 -7.278 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.294 1.368 -8.634 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.857 2.482 -6.485 1.00 0.00 C ATOM 0 H VAL A 66 -0.758 2.484 -5.353 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.040 3.757 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 66 0.336 0.937 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.117 0.673 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.511 0.875 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.656 2.237 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.690 1.786 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.192 3.378 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.495 2.755 -5.494 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.400 1.452 -8.023 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.542 1.040 -8.853 1.00 0.00 C ATOM 1075 C ASN A 67 -4.361 2.258 -9.332 1.00 0.00 C ATOM 1076 O ASN A 67 -4.615 2.390 -10.528 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.437 0.037 -8.102 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.820 -1.348 -7.915 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.910 -1.770 -8.621 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -4.324 -2.116 -6.966 1.00 0.00 N ATOM 0 H ASN A 67 -2.388 1.020 -7.099 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.143 0.542 -9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.679 0.448 -7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.377 -0.068 -8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.956 -3.057 -6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.081 -1.769 -6.377 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.681 3.213 -8.451 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.278 4.504 -8.836 1.00 0.00 C ATOM 1089 C TYR A 68 -4.402 5.305 -9.822 1.00 0.00 C ATOM 1090 O TYR A 68 -4.916 5.787 -10.832 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.622 5.306 -7.570 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.777 6.802 -7.782 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.963 7.327 -8.331 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.718 7.668 -7.445 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.099 8.715 -8.528 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.846 9.055 -7.640 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.043 9.586 -8.171 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.184 10.933 -8.327 1.00 0.00 O ATOM 0 H TYR A 68 -4.534 3.115 -7.446 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.199 4.302 -9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.549 4.915 -7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.841 5.138 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.771 6.663 -8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.804 7.265 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.009 9.114 -8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.030 9.714 -7.384 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.130 11.149 -8.464 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.082 5.378 -9.605 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.150 6.063 -10.515 1.00 0.00 C ATOM 1110 C LEU A 69 -2.084 5.415 -11.911 1.00 0.00 C ATOM 1111 O LEU A 69 -1.994 6.132 -12.907 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.750 6.156 -9.889 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.615 7.031 -8.624 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.809 6.849 -8.077 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.903 8.511 -8.920 1.00 0.00 C ATOM 0 H LEU A 69 -2.628 4.963 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.541 7.070 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.419 5.147 -9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.064 6.540 -10.644 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.351 6.717 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.935 7.457 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.973 5.800 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.531 7.161 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.797 9.092 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.197 8.877 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.919 8.615 -9.301 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.201 4.088 -12.011 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.337 3.373 -13.300 1.00 0.00 C ATOM 1129 C VAL A 70 -3.670 3.711 -13.981 1.00 0.00 C ATOM 1130 O VAL A 70 -3.698 3.976 -15.181 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.192 1.837 -13.145 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.470 1.071 -14.451 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.782 1.450 -12.675 1.00 0.00 C ATOM 0 H VAL A 70 -2.205 3.469 -11.200 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.518 3.717 -13.932 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.938 1.558 -12.401 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.352 0.001 -14.278 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.488 1.275 -14.783 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.767 1.394 -15.219 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.716 0.366 -12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.048 1.794 -13.404 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.580 1.915 -11.710 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.760 3.769 -13.206 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.114 4.087 -13.697 1.00 0.00 C ATOM 1145 C ARG A 71 -6.275 5.535 -14.207 1.00 0.00 C ATOM 1146 O ARG A 71 -7.213 5.809 -14.958 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.151 3.764 -12.607 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.294 2.248 -12.373 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.021 1.958 -11.054 1.00 0.00 C ATOM 1150 NE ARG A 71 -8.048 0.514 -10.769 1.00 0.00 N ATOM 1151 CZ ARG A 71 -8.308 -0.057 -9.597 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -8.605 0.647 -8.524 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -8.268 -1.367 -9.487 1.00 0.00 N ATOM 0 H ARG A 71 -4.729 3.594 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.286 3.457 -14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.859 4.248 -11.675 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.118 4.179 -12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.844 1.800 -13.201 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.307 1.785 -12.357 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.524 2.483 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.040 2.341 -11.105 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.847 -0.111 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.641 1.665 -8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.799 0.174 -7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.038 -1.940 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.467 -1.810 -8.590 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.346 6.443 -13.878 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.251 7.813 -14.444 1.00 0.00 C ATOM 1169 C ILE A 72 -4.056 7.998 -15.406 1.00 0.00 C ATOM 1170 O ILE A 72 -3.769 9.120 -15.821 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.278 8.889 -13.325 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.011 8.837 -12.446 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.563 8.763 -12.485 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -3.863 10.010 -11.474 1.00 0.00 C ATOM 0 H ILE A 72 -4.616 6.248 -13.193 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.140 7.954 -15.059 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.283 9.869 -13.803 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.018 7.908 -11.876 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.135 8.807 -13.095 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.564 9.525 -11.706 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.433 8.900 -13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.602 7.775 -12.026 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.946 9.891 -10.897 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.821 10.944 -12.035 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.717 10.031 -10.797 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.344 6.916 -15.746 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.214 6.867 -16.691 1.00 0.00 C ATOM 1188 C ASN A 73 -0.937 7.603 -16.202 1.00 0.00 C ATOM 1189 O ASN A 73 -0.062 7.948 -16.998 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.682 7.292 -18.101 1.00 0.00 C ATOM 1191 CG ASN A 73 -1.728 6.856 -19.213 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.165 5.766 -19.196 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -1.526 7.686 -20.223 1.00 0.00 N ATOM 0 H ASN A 73 -3.550 5.999 -15.349 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.886 5.829 -16.749 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.668 6.869 -18.292 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.790 8.376 -18.129 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.903 7.419 -20.986 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.993 8.593 -20.239 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.803 7.818 -14.886 1.00 0.00 N ATOM 1201 CA GLU A 74 0.403 8.369 -14.242 1.00 0.00 C ATOM 1202 C GLU A 74 1.460 7.295 -13.901 1.00 0.00 C ATOM 1203 O GLU A 74 2.591 7.628 -13.540 1.00 0.00 O ATOM 1204 CB GLU A 74 0.003 9.143 -12.975 1.00 0.00 C ATOM 1205 CG GLU A 74 -0.456 10.579 -13.258 1.00 0.00 C ATOM 1206 CD GLU A 74 0.657 11.447 -13.873 1.00 0.00 C ATOM 1207 OE1 GLU A 74 1.770 11.520 -13.299 1.00 0.00 O ATOM 1208 OE2 GLU A 74 0.423 12.064 -14.940 1.00 0.00 O ATOM 0 H GLU A 74 -1.548 7.609 -14.221 1.00 0.00 H new ATOM 0 HA GLU A 74 0.870 9.040 -14.963 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.799 8.606 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.851 9.169 -12.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.310 10.557 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.797 11.037 -12.330 1.00 0.00 H new ATOM 1215 N VAL A 75 1.113 6.014 -14.049 1.00 0.00 N ATOM 1216 CA VAL A 75 2.013 4.853 -13.950 1.00 0.00 C ATOM 1217 C VAL A 75 1.624 3.848 -15.042 1.00 0.00 C ATOM 1218 O VAL A 75 0.439 3.638 -15.294 1.00 0.00 O ATOM 1219 CB VAL A 75 1.928 4.185 -12.553 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.875 2.984 -12.440 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.341 5.114 -11.405 1.00 0.00 C ATOM 0 H VAL A 75 0.151 5.741 -14.251 1.00 0.00 H new ATOM 0 HA VAL A 75 3.042 5.186 -14.086 1.00 0.00 H new ATOM 0 HB VAL A 75 0.879 3.903 -12.466 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.787 2.543 -11.447 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.611 2.241 -13.192 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.901 3.314 -12.600 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.257 4.581 -10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.372 5.436 -11.550 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.687 5.986 -11.390 1.00 0.00 H new ATOM 1231 N LYS A 76 2.608 3.217 -15.691 1.00 0.00 N ATOM 1232 CA LYS A 76 2.370 2.078 -16.590 1.00 0.00 C ATOM 1233 C LYS A 76 2.381 0.772 -15.782 1.00 0.00 C ATOM 1234 O LYS A 76 3.323 0.517 -15.031 1.00 0.00 O ATOM 1235 CB LYS A 76 3.431 2.041 -17.705 1.00 0.00 C ATOM 1236 CG LYS A 76 3.405 3.303 -18.587 1.00 0.00 C ATOM 1237 CD LYS A 76 4.301 3.180 -19.830 1.00 0.00 C ATOM 1238 CE LYS A 76 5.785 3.018 -19.469 1.00 0.00 C ATOM 1239 NZ LYS A 76 6.639 2.943 -20.683 1.00 0.00 N ATOM 0 H LYS A 76 3.590 3.479 -15.610 1.00 0.00 H new ATOM 0 HA LYS A 76 1.393 2.192 -17.060 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.419 1.935 -17.258 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.267 1.162 -18.329 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.380 3.500 -18.902 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.727 4.160 -17.996 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.979 2.324 -20.423 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.176 4.065 -20.453 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.103 3.858 -18.851 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.919 2.115 -18.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.634 2.834 -20.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.351 2.127 -21.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.530 3.816 -21.238 1.00 0.00 H new ATOM 1253 N SER A 77 1.372 -0.085 -15.942 1.00 0.00 N ATOM 1254 CA SER A 77 1.247 -1.347 -15.184 1.00 0.00 C ATOM 1255 C SER A 77 2.496 -2.243 -15.290 1.00 0.00 C ATOM 1256 O SER A 77 2.902 -2.851 -14.298 1.00 0.00 O ATOM 1257 CB SER A 77 0.002 -2.109 -15.653 1.00 0.00 C ATOM 1258 OG SER A 77 0.031 -2.311 -17.061 1.00 0.00 O ATOM 0 H SER A 77 0.611 0.070 -16.603 1.00 0.00 H new ATOM 0 HA SER A 77 1.148 -1.081 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.053 -3.072 -15.145 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.894 -1.552 -15.380 1.00 0.00 H new ATOM 0 HG SER A 77 -0.772 -2.800 -17.338 1.00 0.00 H new ATOM 1264 N GLU A 78 3.175 -2.227 -16.444 1.00 0.00 N ATOM 1265 CA GLU A 78 4.416 -2.969 -16.714 1.00 0.00 C ATOM 1266 C GLU A 78 5.572 -2.627 -15.752 1.00 0.00 C ATOM 1267 O GLU A 78 6.485 -3.436 -15.579 1.00 0.00 O ATOM 1268 CB GLU A 78 4.869 -2.717 -18.163 1.00 0.00 C ATOM 1269 CG GLU A 78 3.846 -3.175 -19.210 1.00 0.00 C ATOM 1270 CD GLU A 78 4.392 -2.977 -20.632 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.256 -1.861 -21.184 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.956 -3.937 -21.208 1.00 0.00 O ATOM 0 H GLU A 78 2.865 -1.677 -17.245 1.00 0.00 H new ATOM 0 HA GLU A 78 4.179 -4.021 -16.555 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.062 -1.652 -18.296 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.812 -3.235 -18.336 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.604 -4.226 -19.052 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.920 -2.613 -19.090 1.00 0.00 H new ATOM 1279 N GLU A 79 5.527 -1.461 -15.096 1.00 0.00 N ATOM 1280 CA GLU A 79 6.528 -1.018 -14.119 1.00 0.00 C ATOM 1281 C GLU A 79 6.200 -1.442 -12.676 1.00 0.00 C ATOM 1282 O GLU A 79 7.080 -1.413 -11.816 1.00 0.00 O ATOM 1283 CB GLU A 79 6.642 0.514 -14.161 1.00 0.00 C ATOM 1284 CG GLU A 79 7.108 1.088 -15.507 1.00 0.00 C ATOM 1285 CD GLU A 79 8.520 0.618 -15.893 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.500 0.997 -15.208 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.663 -0.110 -16.904 1.00 0.00 O ATOM 0 H GLU A 79 4.776 -0.784 -15.233 1.00 0.00 H new ATOM 0 HA GLU A 79 7.466 -1.497 -14.398 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.671 0.944 -13.915 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.337 0.834 -13.385 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.405 0.793 -16.286 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.092 2.177 -15.459 1.00 0.00 H new ATOM 1294 N VAL A 80 4.952 -1.832 -12.391 1.00 0.00 N ATOM 1295 CA VAL A 80 4.447 -2.043 -11.022 1.00 0.00 C ATOM 1296 C VAL A 80 4.979 -3.367 -10.437 1.00 0.00 C ATOM 1297 O VAL A 80 4.729 -4.419 -11.031 1.00 0.00 O ATOM 1298 CB VAL A 80 2.901 -2.010 -10.961 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.393 -2.221 -9.524 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.359 -0.663 -11.472 1.00 0.00 C ATOM 0 H VAL A 80 4.253 -2.013 -13.111 1.00 0.00 H new ATOM 0 HA VAL A 80 4.818 -1.217 -10.415 1.00 0.00 H new ATOM 0 HB VAL A 80 2.543 -2.820 -11.597 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.303 -2.192 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.733 -3.189 -9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.782 -1.431 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.270 -0.665 -11.419 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.751 0.145 -10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.672 -0.514 -12.505 1.00 0.00 H new ATOM 1310 N PRO A 81 5.678 -3.347 -9.280 1.00 0.00 N ATOM 1311 CA PRO A 81 6.196 -4.549 -8.636 1.00 0.00 C ATOM 1312 C PRO A 81 5.093 -5.276 -7.854 1.00 0.00 C ATOM 1313 O PRO A 81 4.254 -4.654 -7.202 1.00 0.00 O ATOM 1314 CB PRO A 81 7.320 -4.061 -7.720 1.00 0.00 C ATOM 1315 CG PRO A 81 6.851 -2.669 -7.307 1.00 0.00 C ATOM 1316 CD PRO A 81 6.111 -2.163 -8.546 1.00 0.00 C ATOM 0 HA PRO A 81 6.564 -5.276 -9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.450 -4.715 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.277 -4.026 -8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.197 -2.707 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.690 -2.023 -7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.257 -1.547 -8.264 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.762 -1.542 -9.161 1.00 0.00 H new